# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2012 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_Ia _database_code_depnum_ccdc_archive 'CCDC 872702' #TrackingRef '- nacef4_ambient_pressure.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Ce1.5 F6 Na1.5' _chemical_formula_weight 358.7 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 6.153(2) _cell_length_b 6.153(2) _cell_length_c 3.7850(10) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 124.10(7) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 4.7975 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 158 _exptl_absorpt_coefficient_mu 2.963 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type Cylindrical _exptl_absorpt_process_details 'Jana2006 (Petricek, Dusek & Palatinus, 2000)' _exptl_absorpt_correction_T_min 0.8004 _exptl_absorpt_correction_T_max 0.908 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.3978 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 2777 _diffrn_reflns_theta_min 2.14 _diffrn_reflns_theta_max 25.9 _diffrn_reflns_theta_full 25.9 _diffrn_measured_fraction_theta_max 0.99 _diffrn_measured_fraction_theta_full 0.99 _diffrn_reflns_av_R_equivalents 0.0352 _diffrn_reflns_av_sigmaI/netI 0.0399 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 983 _reflns_number_gt 968 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0252 _refine_ls_wR_factor_gt 0.0297 _refine_ls_R_factor_all 0.0260 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 1.25 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 983 _refine_ls_number_parameters 21 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0032 _refine_ls_shift/su_mean 0.0007 _refine_diff_density_max 1.21 _refine_diff_density_min -1.26 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 1700(400) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Ce -1.2342 0.9509 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' F 0.0031 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0087 0.0073 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ce1 Ce 0 0 0 Uani 0.00921(5) 1 1 d . . . Na1 Na 0.333333 0.666667 0.662(2) Uani 0.0318(14) 2 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.01140(9) 1 0.5 d . . . Ce2 Ce 0.666667 0.333333 0.5 Uani 0.01140(9) 1 0.5 d . . . F1 F 0.6314(7) 0.0409(7) 0 Uani 0.0271(10) 3 1 d . . . F2 F 0.7320(4) 0.7547(4) 0.5 Uani 0.0150(5) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ce1 Ce 0.01035(6) 0.01035(6) 0.00692(6) 0.00518(3) 0 0 Na1 Na 0.0206(11) 0.0206(11) 0.054(3) 0.0103(6) 0 0 Na2 Na 0.00966(11) 0.00966(11) 0.01489(15) 0.00483(5) 0 0 Ce2 Ce 0.00966(11) 0.00966(11) 0.01489(15) 0.00483(5) 0 0 F1 F 0.0169(10) 0.0210(12) 0.0464(17) 0.0118(8) 0 0 F2 F 0.0154(7) 0.0124(6) 0.0146(6) 0.0050(6) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ce1 F1 . 1_455 2.404(5) ? Ce1 F1 . 2_545 2.404(6) ? Ce1 F1 . 3_665 2.404(4) ? Ce1 F2 . 1_444 2.4678(17) ? Ce1 F2 . 1_445 2.4678(17) ? Ce1 F2 . 2_654 2.468(2) ? Ce1 F2 . 2_655 2.468(2) ? Ce1 F2 . 3_564 2.468(2) ? Ce1 F2 . 3_565 2.468(2) ? Na1 F1 . 1_566 2.465(5) ? Na1 F1 . 2_556 2.465(6) ? Na1 F1 . 3_666 2.465(6) ? Na1 F2 . . 2.315(4) ? Na1 F2 . 2_665 2.315(4) ? Na1 F2 . 3_565 2.315(4) ? Na2 F1 . . 2.545(3) ? Na2 F1 . 1_556 2.545(3) ? Na2 F1 . 2_655 2.545(3) ? Na2 F1 . 2_656 2.545(3) ? Na2 F1 . 3_665 2.545(4) ? Na2 F1 . 3_666 2.545(4) ? Na2 F2 . . 2.417(3) ? Na2 F2 . 2_655 2.417(3) ? Na2 F2 . 3_665 2.417(4) ? Ce2 F1 . . 2.545(3) ? Ce2 F1 . 1_556 2.545(3) ? Ce2 F1 . 2_655 2.545(3) ? Ce2 F1 . 2_656 2.545(3) ? Ce2 F1 . 3_665 2.545(4) ? Ce2 F1 . 3_666 2.545(4) ? Ce2 F2 . . 2.417(3) ? Ce2 F2 . 2_655 2.417(3) ? Ce2 F2 . 3_665 2.417(4) ? F1 F1 . 2_655 2.946(6) ? F1 F1 . 3_665 2.946(8) ? F1 F2 . 1_544 2.856(4) ? F1 F2 . 1_545 2.856(4) ? F1 F2 . 2_654 2.907(4) ? F1 F2 . 2_655 2.907(4) ? F1 F2 . 3_664 2.822(4) ? F1 F2 . 3_665 2.822(4) ? F2 F2 . 2_765 2.743(4) ? F2 F2 . 3_675 2.743(4) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 0 1 215.34 249.30 9.79 o 0 0 2 6167.29 6883.61 261.76 o 0 0 3 209.84 230.81 9.62 o 0 0 4 1944.22 2104.53 80.81 o 0 0 5 72.59 68.44 3.79 o 0 0 6 577.83 605.91 24.27 o 0 0 7 41.32 38.53 3.43 o 0 0 8 167.35 132.18 10.72 o 1 -1 1 2590.84 2753.20 74.25 o 1 -1 2 1375.30 1468.96 32.56 o 1 -1 3 1297.53 1344.15 29.95 o 1 -1 4 520.37 533.47 12.25 o 1 -1 5 526.23 541.19 12.48 o 1 -1 6 185.15 190.28 4.95 o 1 -1 7 178.49 194.75 6.64 o 1 -1 8 71.60 62.19 3.67 o 1 0 0 1482.61 1584.14 85.32 o 1 0 1 2597.35 2842.74 68.53 o 1 0 2 1360.90 1459.51 35.43 o 1 0 3 1313.75 1336.06 29.75 o 1 0 4 516.64 533.73 12.25 o 1 0 5 527.84 547.85 12.64 o 1 0 6 184.77 197.25 5.62 o 1 0 7 179.10 187.00 5.68 o 1 0 8 71.46 61.07 3.00 o 1 1 1 784.17 828.91 22.59 o 1 1 2 1930.99 1996.90 48.37 o 1 1 3 379.10 410.66 10.42 o 1 1 4 965.95 993.90 24.49 o 1 1 5 136.67 141.95 4.16 o 1 1 6 369.22 397.30 10.40 o 1 1 7 68.31 70.50 2.96 o 1 1 8 119.87 104.79 4.58 o 2 -3 1 3456.38 3402.62 105.99 o 2 -3 2 1254.03 1172.78 37.01 o 2 -3 3 1552.79 1531.04 37.32 o 2 -3 4 454.25 443.34 11.28 o 2 -3 5 560.03 572.31 16.18 o 2 -3 6 154.46 154.82 5.29 o 2 -3 7 183.54 193.91 6.91 o 2 -3 8 59.41 52.92 6.95 o 2 -2 1 4449.22 4139.57 128.73 o 2 -2 2 1043.63 1058.04 33.45 o 2 -2 3 1855.98 1889.66 45.93 o 2 -2 4 407.52 400.04 10.25 o 2 -2 5 631.28 644.35 16.17 o 2 -2 6 145.03 151.83 5.23 o 2 -2 7 201.63 206.62 6.98 o 2 -2 8 57.41 42.88 3.09 o 2 -1 1 826.30 892.95 24.34 o 2 -1 2 1923.00 1905.33 46.28 o 2 -1 3 396.58 424.15 10.74 o 2 -1 4 958.39 970.12 23.92 o 2 -1 5 142.34 148.41 4.29 o 2 -1 6 364.86 380.60 9.98 o 2 -1 7 70.34 69.95 2.91 o 2 -1 8 118.10 104.32 5.02 o 2 0 0 1064.55 1136.37 61.45 o 2 0 1 4421.58 4353.60 117.39 o 2 0 2 1059.79 1072.92 26.20 o 2 0 3 1838.05 1846.84 44.91 o 2 0 4 414.11 411.07 10.50 o 2 0 5 628.64 649.94 16.32 o 2 0 6 147.19 153.46 4.61 o 2 0 7 200.58 208.47 6.18 o 2 0 8 58.26 44.09 2.74 o 2 1 0 238.29 252.82 9.96 o 2 1 1 2674.62 2683.96 72.48 o 2 1 2 327.00 339.13 9.62 o 2 1 3 1311.15 1276.37 31.19 o 2 1 4 235.63 226.26 6.09 o 2 1 5 519.01 524.47 13.30 o 2 1 6 111.37 107.89 3.56 o 2 1 7 178.31 186.38 5.66 o 2 1 8 50.03 37.15 5.26 o 2 2 1 163.62 164.63 6.92 o 2 2 2 1569.42 1590.83 50.13 o 2 2 3 211.42 224.80 6.73 o 2 2 4 779.81 777.98 19.30 o 2 2 5 98.42 100.88 3.26 o 2 2 6 302.72 311.66 9.44 o 2 2 7 53.64 54.73 3.09 o 3 -5 1 1535.20 1418.68 54.73 o 3 -5 2 387.26 368.56 12.22 o 3 -5 3 847.47 806.95 25.85 o 3 -5 4 216.84 208.31 6.38 o 3 -5 5 364.24 366.99 10.73 o 3 -5 6 95.98 91.54 3.79 o 3 -5 7 133.30 127.69 4.99 o 3 -4 1 1050.58 1003.44 38.92 o 3 -4 2 953.68 925.39 29.38 o 3 -4 3 696.35 671.02 21.66 o 3 -4 4 404.10 396.48 11.39 o 3 -4 5 332.96 342.28 10.06 o 3 -4 6 153.53 157.74 5.57 o 3 -4 7 126.12 130.76 5.05 o 3 -3 1 194.82 199.98 6.79 o 3 -3 2 2863.60 2604.27 81.39 o 3 -3 3 208.91 211.32 7.42 o 3 -3 4 1139.97 1127.65 31.02 o 3 -3 5 83.00 85.41 3.24 o 3 -3 6 392.02 406.28 11.97 o 3 -3 7 45.16 41.54 2.66 o 3 -3 8 123.00 102.25 8.86 o 3 -2 1 2694.68 2588.35 70.01 o 3 -2 2 313.82 320.67 9.17 o 3 -2 3 1307.41 1290.29 31.57 o 3 -2 4 231.05 222.86 6.02 o 3 -2 5 523.82 523.60 13.26 o 3 -2 6 109.13 111.36 3.65 o 3 -2 7 180.60 182.68 6.33 o 3 -2 8 49.22 48.87 5.90 o 3 -1 0 1368.21 1286.13 69.46 o 3 -1 1 3448.54 3466.38 93.53 o 3 -1 2 1227.66 1218.07 29.74 o 3 -1 3 1570.50 1607.43 39.17 o 3 -1 4 443.00 447.67 11.40 o 3 -1 5 565.35 583.64 14.72 o 3 -1 6 150.71 150.94 4.61 o 3 -1 7 185.89 198.77 6.02 o 3 -1 8 58.00 50.51 4.21 o 3 0 0 5597.94 5165.15 278.01 o 3 0 1 190.17 192.84 6.50 o 3 0 2 2868.14 2826.80 68.38 o 3 0 3 206.91 212.24 5.69 o 3 0 4 1141.18 1117.24 27.45 o 3 0 5 82.24 83.14 2.78 o 3 0 6 392.65 404.38 10.62 o 3 0 7 44.88 42.77 2.53 o 3 0 8 123.26 98.27 5.88 o 3 1 0 395.12 403.90 22.67 o 3 1 1 1670.65 1637.21 51.19 o 3 1 2 537.36 540.88 15.07 o 3 1 3 936.09 903.37 22.26 o 3 1 4 289.96 284.54 7.50 o 3 1 5 399.43 407.09 11.79 o 3 1 6 122.76 136.95 4.30 o 3 1 7 144.12 150.40 4.91 o 3 2 0 863.08 851.85 46.95 o 3 2 1 2632.20 2542.93 97.27 o 3 2 2 787.98 782.43 21.56 o 3 2 3 1285.73 1267.92 34.67 o 3 2 4 316.48 315.17 8.21 o 3 2 5 470.70 483.51 12.38 o 3 2 6 111.47 118.71 4.63 o 3 2 7 157.83 153.47 5.67 o 3 3 0 1595.14 1558.39 85.22 o 3 3 1 119.99 113.74 5.15 o 3 3 2 998.53 949.95 36.95 o 3 3 3 137.83 129.38 4.94 o 3 3 4 518.87 510.96 14.51 o 3 3 5 70.25 72.61 3.12 o 3 3 6 213.82 224.59 7.37 o 3 3 7 39.77 37.15 2.90 o 4 -7 0 349.13 343.88 20.21 o 4 -7 1 846.56 805.23 31.40 o 4 -7 2 353.10 330.37 13.54 o 4 -7 3 510.27 493.07 16.26 o 4 -7 4 183.38 191.14 7.09 o 4 -7 5 233.03 236.82 7.71 o 4 -7 6 79.23 82.99 3.85 o 4 -7 7 90.51 86.14 7.51 o 4 -6 0 126.13 131.24 8.72 o 4 -6 1 1117.37 1039.75 40.35 o 4 -6 2 188.17 182.46 7.97 o 4 -6 3 667.10 643.30 20.83 o 4 -6 4 133.97 132.63 5.19 o 4 -6 5 299.39 308.26 9.26 o 4 -6 6 69.74 72.42 3.37 o 4 -6 7 114.59 103.20 4.43 o 4 -5 1 62.13 61.29 3.26 o 4 -5 2 1649.31 1556.50 49.03 o 4 -5 3 101.73 101.48 4.07 o 4 -5 4 770.49 785.51 21.89 o 4 -5 5 52.66 63.33 2.94 o 4 -5 6 293.83 317.81 9.82 o 4 -5 7 32.85 26.63 2.60 o 4 -4 1 831.14 792.88 31.02 o 4 -4 2 912.99 861.24 27.43 o 4 -4 3 569.39 529.29 17.29 o 4 -4 4 402.21 409.37 11.78 o 4 -4 5 282.23 278.57 8.46 o 4 -4 6 155.03 162.78 5.65 o 4 -4 7 109.69 115.32 4.74 o 4 -3 1 1692.13 1587.76 49.86 o 4 -3 2 535.16 503.35 16.31 o 4 -3 3 948.04 901.88 24.89 o 4 -3 4 289.11 292.70 7.71 o 4 -3 5 400.35 398.16 11.61 o 4 -3 6 122.88 129.79 4.72 o 4 -3 7 144.24 140.43 5.26 o 4 -2 1 155.62 156.79 4.64 o 4 -2 2 1560.58 1507.42 41.17 o 4 -2 3 207.99 215.61 5.80 o 4 -2 4 778.44 759.95 18.92 o 4 -2 5 97.36 105.01 3.34 o 4 -2 6 302.92 327.69 8.81 o 4 -2 7 53.32 52.49 2.68 o 4 -1 0 1001.94 900.71 48.82 o 4 -1 1 1066.15 1035.83 32.72 o 4 -1 2 968.15 956.89 26.24 o 4 -1 3 689.75 683.23 16.98 o 4 -1 4 408.44 407.46 10.42 o 4 -1 5 331.84 350.29 9.16 o 4 -1 6 154.05 163.66 4.96 o 4 -1 7 125.38 138.59 4.72 o 4 0 0 939.27 889.53 48.54 o 4 0 1 823.08 778.95 30.18 o 4 0 2 902.24 908.83 25.04 o 4 0 3 578.79 557.24 13.94 o 4 0 4 399.59 407.93 10.46 o 4 0 5 284.23 286.83 7.65 o 4 0 6 154.95 165.46 5.04 o 4 0 7 110.66 116.71 4.27 o 4 1 0 2087.38 2063.26 111.90 o 4 1 1 68.82 64.93 2.49 o 4 1 2 1267.91 1237.35 33.80 o 4 1 3 120.67 118.62 3.47 o 4 1 4 646.12 641.93 16.06 o 4 1 5 65.95 73.35 2.66 o 4 1 6 259.63 281.26 7.85 o 4 1 7 39.66 36.59 2.39 o 4 2 0 259.44 246.59 14.58 o 4 2 1 1068.30 1027.90 39.74 o 4 2 2 314.11 302.05 9.95 o 4 2 3 637.97 628.87 17.55 o 4 2 4 174.01 168.60 4.78 o 4 2 5 293.23 308.64 8.29 o 4 2 6 78.77 75.86 3.52 o 4 2 7 112.54 104.87 4.49 o 4 3 0 383.43 392.72 22.61 o 4 3 1 503.93 472.00 18.68 o 4 3 2 381.35 373.11 15.10 o 4 3 3 349.17 336.03 11.36 o 4 3 4 199.30 190.07 7.01 o 4 3 5 182.29 189.73 6.38 o 4 3 6 88.14 86.78 4.05 o 4 3 7 77.03 72.69 7.07 o 4 4 0 1107.21 1077.11 59.48 o 4 4 1 25.99 30.67 2.33 o 4 4 2 759.40 721.55 28.35 o 4 4 3 36.88 35.54 2.62 o 4 4 4 402.82 427.84 14.66 o 4 4 5 23.13 26.49 2.15 o 4 4 6 171.52 168.62 6.07 o 5 -9 0 83.95 75.77 6.09 o 5 -9 1 379.86 384.95 22.55 o 5 -9 2 97.04 96.59 4.82 o 5 -9 3 253.33 253.76 11.29 o 5 -9 4 67.68 66.48 4.51 o 5 -9 5 132.69 143.01 5.49 o 5 -9 6 37.85 35.75 4.30 o 5 -8 0 250.44 256.71 15.45 o 5 -8 1 692.45 650.59 25.66 o 5 -8 2 240.48 231.49 9.90 o 5 -8 3 418.30 412.86 16.85 o 5 -8 4 127.34 123.96 5.36 o 5 -8 5 191.29 191.64 6.58 o 5 -8 6 56.76 54.72 3.17 o 5 -7 0 959.74 951.92 52.83 o 5 -7 1 101.54 95.02 4.62 o 5 -7 2 644.85 615.05 24.36 o 5 -7 3 102.49 100.89 4.15 o 5 -7 4 360.90 357.77 12.19 o 5 -7 5 55.54 54.75 2.84 o 5 -7 6 160.14 163.97 5.90 o 5 -7 7 32.18 26.78 4.95 o 5 -6 1 1308.50 1220.34 47.33 o 5 -6 2 396.75 367.88 15.04 o 5 -6 3 733.45 709.65 22.92 o 5 -6 4 197.59 189.40 6.97 o 5 -6 5 309.98 326.36 9.87 o 5 -6 6 82.04 79.85 3.75 o 5 -6 7 113.80 95.98 4.41 o 5 -5 1 1436.64 1352.46 52.32 o 5 -5 2 600.45 557.40 18.12 o 5 -5 3 784.59 747.12 24.23 o 5 -5 4 271.38 259.75 9.12 o 5 -5 5 322.15 320.81 9.64 o 5 -5 6 105.48 105.66 4.24 o 5 -5 7 116.74 106.53 4.51 o 5 -4 1 66.78 66.43 3.71 o 5 -4 2 1273.78 1161.90 36.80 o 5 -4 3 119.43 108.74 4.37 o 5 -4 4 647.96 643.74 18.07 o 5 -4 5 65.34 68.35 2.93 o 5 -4 6 260.44 277.99 8.71 o 5 -4 7 39.38 39.68 2.84 o 5 -3 1 2648.85 2381.95 91.44 o 5 -3 2 804.03 777.70 21.49 o 5 -3 3 1267.59 1261.12 34.55 o 5 -3 4 325.76 326.79 9.56 o 5 -3 5 464.75 474.11 12.20 o 5 -3 6 115.50 117.41 3.97 o 5 -3 7 155.20 152.85 5.67 o 5 -2 0 310.94 325.06 17.79 o 5 -2 1 1526.61 1551.20 59.53 o 5 -2 2 389.60 395.18 11.20 o 5 -2 3 850.05 843.81 20.86 o 5 -2 4 218.03 210.47 5.76 o 5 -2 5 362.02 369.35 9.68 o 5 -2 6 96.89 95.94 3.46 o 5 -2 7 132.31 133.16 4.47 o 5 -1 0 2753.86 2359.79 127.46 o 5 -1 1 65.82 59.76 3.01 o 5 -1 2 1648.34 1607.90 43.78 o 5 -1 3 103.58 100.32 3.03 o 5 -1 4 770.06 797.15 19.81 o 5 -1 5 53.33 58.15 2.38 o 5 -1 6 293.48 314.63 8.66 o 5 -1 7 33.08 31.81 2.29 o 5 0 0 635.43 608.57 33.61 o 5 0 1 1431.27 1311.13 50.43 o 5 0 2 604.86 574.27 16.03 o 5 0 3 775.89 748.98 18.54 o 5 0 4 274.46 259.22 6.95 o 5 0 5 319.68 323.08 8.58 o 5 0 6 106.73 106.38 3.74 o 5 0 7 115.60 103.65 4.03 o 5 1 0 112.79 109.97 7.31 o 5 1 1 968.54 920.98 29.03 o 5 1 2 161.47 155.79 5.41 o 5 1 3 591.21 577.15 16.19 o 5 1 4 116.92 115.04 3.55 o 5 1 5 274.35 297.53 8.04 o 5 1 6 62.82 66.20 2.87 o 5 1 7 107.12 97.91 3.99 o 5 2 0 1331.37 1287.42 70.54 o 5 2 1 78.48 71.57 3.51 o 5 2 2 875.09 853.46 27.03 o 5 2 3 83.81 81.29 2.95 o 5 2 4 447.14 450.07 11.54 o 5 2 5 43.59 44.43 2.20 o 5 2 6 185.10 186.22 6.51 o 5 2 7 26.22 22.93 5.16 o 5 3 0 280.71 302.49 17.91 o 5 3 1 401.45 374.62 14.99 o 5 3 2 275.22 267.16 11.10 o 5 3 3 267.05 264.30 11.27 o 5 3 4 152.81 160.70 6.38 o 5 3 5 138.89 141.07 5.26 o 5 3 6 70.36 63.56 3.31 o 5 4 0 113.11 109.62 7.85 o 5 4 1 355.26 366.37 12.24 o 5 4 2 122.76 113.13 5.57 o 5 4 3 239.90 235.40 10.34 o 5 4 4 81.94 81.27 5.51 o 5 4 5 124.36 130.32 4.94 o 5 4 6 43.90 38.68 4.26 o 5 5 0 377.20 390.98 23.15 o 5 5 1 36.77 39.17 3.30 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115.33 106.05 4.10 o 6 -1 0 377.45 334.65 18.75 o 6 -1 1 1311.49 1258.59 39.55 o 6 -1 2 388.80 376.49 10.73 o 6 -1 3 742.51 760.53 18.87 o 6 -1 4 192.85 200.18 5.52 o 6 -1 5 312.89 333.76 8.91 o 6 -1 6 79.98 82.07 3.25 o 6 -1 7 115.10 99.92 4.04 o 6 0 0 1056.67 988.36 54.03 o 6 0 1 96.66 91.39 3.48 o 6 0 2 701.10 648.52 20.73 o 6 0 3 104.64 103.71 3.15 o 6 0 4 388.94 393.23 10.16 o 6 0 5 57.20 58.33 2.45 o 6 0 6 170.66 179.65 5.53 o 6 0 7 33.55 24.71 3.32 o 6 1 0 218.62 204.51 6.82 o 6 1 1 837.68 797.28 21.92 o 6 1 2 236.63 224.74 7.64 o 6 1 3 507.74 516.66 14.64 o 6 1 4 134.22 143.30 4.29 o 6 1 5 231.10 247.56 6.96 o 6 1 6 61.86 68.14 3.09 o 6 2 0 226.25 201.66 12.58 o 6 2 1 633.43 627.77 20.19 o 6 2 2 219.31 223.78 9.49 o 6 2 3 390.68 394.53 13.02 o 6 2 4 118.21 123.83 3.92 o 6 2 5 181.77 183.96 5.50 o 6 2 6 53.33 47.14 3.16 o 6 3 0 477.05 492.33 28.12 o 6 3 1 27.09 25.44 1.74 o 6 3 2 347.09 341.50 14.08 o 6 3 3 37.44 40.43 3.06 o 6 3 4 209.03 217.13 10.01 o 6 3 5 26.56 24.65 2.68 o 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115.05 98.83 3.93 o 7 2 0 53.42 59.05 5.01 o 7 2 1 337.63 336.59 11.28 o 7 2 2 64.46 68.31 3.84 o 7 2 3 229.48 249.49 11.02 o 7 2 4 47.63 50.27 3.17 o 7 2 5 123.93 131.63 5.24 o 7 3 0 81.69 81.25 6.66 o 7 3 1 252.04 264.90 11.63 o 7 3 2 83.82 88.06 4.83 o 7 3 3 176.63 178.99 8.81 o 7 3 4 53.76 55.91 4.34 o 7 3 5 95.73 85.85 4.51 o 7 4 0 249.69 249.97 16.23 o 7 4 1 12.54 11.73 2.59 o 7 4 2 192.21 190.18 7.38 o 7 4 3 16.36 18.33 2.76 o 7 4 4 120.29 106.29 6.46 o 7 5 0 26.36 27.17 4.91 o 7 5 1 122.76 131.29 7.26 o 7 5 2 29.46 28.54 4.42 o 7 5 3 89.03 88.41 5.65 o 7 6 0 32.34 34.11 6.77 o 7 6 1 109.07 105.93 6.51 o 7 6 2 31.71 34.63 4.35 o 8 -13 0 116.99 108.42 9.86 o 8 -13 1 5.50 3.60 2.24 < 8 -13 2 93.91 66.82 7.42 o 8 -12 0 39.11 47.68 6.41 o 8 -12 1 94.65 109.60 6.16 o 8 -12 2 40.92 42.36 5.69 o 8 -12 3 70.16 61.11 5.02 o 8 -11 0 44.35 55.82 6.14 o 8 -11 1 162.06 184.37 9.18 o 8 -11 2 46.06 48.28 6.36 o 8 -11 3 114.85 117.48 6.90 o 8 -11 4 32.77 29.79 3.98 o 8 -10 0 265.68 257.65 16.86 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323.09 19.68 o 9 -9 1 22.28 27.00 4.49 o 9 -9 2 231.45 246.64 15.98 o 9 -9 3 24.72 25.28 3.15 o 9 -9 4 145.05 155.93 8.94 o 9 -9 5 17.67 16.30 3.69 o 9 -8 0 100.95 105.07 8.27 o 9 -8 1 311.69 327.03 19.93 o 9 -8 2 104.02 99.40 8.19 o 9 -8 3 210.19 212.16 10.04 o 9 -8 4 65.55 74.85 5.19 o 9 -8 5 109.81 101.55 5.37 o 9 -7 0 55.99 69.17 6.63 o 9 -7 1 334.00 336.14 20.20 o 9 -7 2 65.73 65.40 6.47 o 9 -7 3 227.99 227.67 10.56 o 9 -7 4 48.60 41.92 3.93 o 9 -7 5 122.00 117.67 4.88 o 9 -6 0 482.48 515.03 29.82 o 9 -6 1 27.43 33.94 4.11 o 9 -6 2 351.37 386.51 22.86 o 9 -6 3 37.47 38.87 3.39 o 9 -6 4 210.93 210.58 8.08 o 9 -6 5 26.41 27.09 2.42 o 9 -6 6 100.86 101.37 9.40 o 9 -5 0 110.91 107.99 7.91 o 9 -5 1 351.97 368.84 21.75 o 9 -5 2 122.22 124.24 8.77 o 9 -5 3 236.27 229.90 10.40 o 9 -5 4 81.67 82.99 4.10 o 9 -5 5 123.79 130.99 5.00 o 9 -5 6 43.74 37.31 3.30 o 9 -4 0 86.94 89.46 6.82 o 9 -4 1 380.43 371.17 21.80 o 9 -4 2 98.28 99.26 7.56 o 9 -4 3 255.01 263.46 11.22 o 9 -4 4 68.40 69.55 2.75 o 9 -4 5 132.13 137.65 4.53 o 9 -4 6 38.27 28.49 3.00 o 9 -3 0 444.36 448.66 25.86 o 9 -3 1 43.13 44.11 2.76 o 9 -3 2 324.75 320.55 13.21 o 9 -3 3 47.46 51.73 2.53 o 9 -3 4 198.93 210.90 6.09 o 9 -3 5 30.76 34.40 2.33 o 9 -3 6 96.77 86.07 5.83 o 9 -2 0 117.88 115.71 5.29 o 9 -2 1 323.55 322.36 10.70 o 9 -2 2 123.79 118.82 4.48 o 9 -2 3 219.13 235.54 7.17 o 9 -2 4 79.08 85.98 3.43 o 9 -2 5 114.75 116.66 4.15 o 9 -1 0 117.21 122.77 5.70 o 9 -1 1 250.53 254.11 8.69 o 9 -1 2 117.92 123.58 3.63 o 9 -1 3 173.27 183.33 5.84 o 9 -1 4 75.23 81.59 3.53 o 9 -1 5 92.48 86.69 3.64 o 9 0 0 303.01 283.95 11.79 o 9 0 1 19.82 20.18 1.53 o 9 0 2 230.39 235.79 7.22 o 9 0 3 23.08 25.49 1.85 o 9 0 4 145.36 144.29 5.12 o 9 0 5 16.88 16.60 2.16 o 9 1 0 84.55 85.70 3.58 o 9 1 1 226.21 219.75 7.88 o 9 1 2 82.00 82.33 3.98 o 9 1 3 154.84 152.45 6.00 o 9 1 4 50.18 48.85 2.83 o 9 2 0 57.68 55.35 5.72 o 9 2 1 113.16 111.99 4.02 o 9 2 2 56.99 58.54 3.57 o 9 2 3 83.96 70.34 4.97 o 9 2 4 38.25 40.12 6.06 o 9 3 0 172.86 156.86 11.38 o 9 3 1 4.41 2.41 2.14 < 9 3 2 136.90 138.00 6.11 o 9 3 3 6.23 9.87 4.42 < 9 4 0 35.95 38.61 5.80 o 9 4 1 86.92 77.51 5.93 o 10 -12 0 38.49 35.13 5.19 o 10 -12 1 75.40 78.69 5.62 o 10 -12 2 37.39 36.92 5.44 o 10 -11 0 200.47 226.60 15.77 o 10 -11 1 15.30 20.73 3.55 o 10 -11 2 154.40 162.19 12.40 o 10 -11 3 14.82 6.84 6.03 < 10 -10 0 34.80 39.39 5.31 o 10 -10 1 165.87 190.97 13.51 o 10 -10 2 37.21 39.46 5.55 o 10 -10 3 116.72 115.39 10.01 o 10 -10 4 26.94 31.25 4.74 o 10 -9 0 82.20 92.14 7.83 o 10 -9 1 228.17 260.64 16.74 o 10 -9 2 79.41 89.63 7.75 o 10 -9 3 157.47 175.62 12.22 o 10 -9 4 48.43 45.21 4.57 o 10 -8 0 374.61 432.13 25.65 o 10 -8 1 31.01 35.63 4.73 o 10 -8 2 277.05 296.43 18.26 o 10 -8 3 29.43 32.44 4.61 o 10 -8 4 158.79 159.28 8.64 o 10 -8 5 17.65 7.38 3.23 < 10 -7 0 83.77 80.54 7.01 o 10 -7 1 251.90 270.36 16.82 o 10 -7 2 86.18 94.77 7.75 o 10 -7 3 175.13 177.95 12.07 o 10 -7 4 55.05 55.59 4.69 o 10 -7 5 95.31 78.79 4.08 o 10 -6 0 124.93 126.55 9.28 o 10 -6 1 381.47 410.69 24.25 o 10 -6 2 118.58 104.88 8.14 o 10 -6 3 247.62 275.11 16.99 o 10 -6 4 67.28 72.77 5.18 o 10 -6 5 121.25 105.55 4.56 o 10 -5 0 376.13 377.48 22.40 o 10 -5 1 38.55 48.80 4.91 o 10 -5 2 276.81 312.93 19.10 o 10 -5 3 39.24 43.29 4.92 o 10 -5 4 164.15 174.41 8.95 o 10 -5 5 24.62 19.58 2.29 o 10 -4 0 110.16 119.81 8.65 o 10 -4 1 290.68 296.41 18.09 o 10 -4 2 108.88 114.09 8.34 o 10 -4 3 198.94 225.86 10.29 o 10 -4 4 65.05 65.95 2.91 o 10 -4 5 105.77 101.26 3.88 o 10 -3 0 89.54 91.65 7.09 o 10 -3 1 303.63 332.55 13.58 o 10 -3 2 87.54 94.61 4.80 o 10 -3 3 200.70 205.52 7.53 o 10 -3 4 53.21 54.31 2.92 o 10 -3 5 102.32 86.92 3.74 o 10 -2 0 266.42 277.08 11.46 o 10 -2 1 26.53 26.68 2.31 o 10 -2 2 202.57 200.96 6.06 o 10 -2 3 28.22 30.78 1.66 o 10 -2 4 127.94 132.35 4.85 o 10 -2 5 19.48 19.39 4.14 o 10 -1 0 58.74 61.16 3.77 o 10 -1 1 209.87 204.04 7.25 o 10 -1 2 59.84 64.39 2.39 o 10 -1 3 145.12 155.80 4.72 o 10 -1 4 39.14 35.17 2.33 o 10 0 0 35.95 33.96 2.16 o 10 0 1 164.19 168.34 5.45 o 10 0 2 37.79 39.12 2.29 o 10 0 3 116.05 113.70 3.85 o 10 0 4 27.30 22.47 2.45 o 10 1 0 146.61 145.23 10.16 o 10 1 1 9.46 9.74 1.67 o 10 1 2 116.38 112.39 5.05 o 10 1 3 12.27 11.90 2.01 o 10 2 0 27.19 27.09 5.26 o 10 2 1 94.21 92.04 5.72 o 10 2 2 27.85 24.84 2.84 o 11 -12 0 35.58 33.73 5.80 o 11 -12 1 52.28 50.00 4.73 o 11 -11 0 33.11 34.69 6.07 o 11 -11 1 88.73 96.06 6.48 o 11 -11 2 33.59 26.81 6.94 o 11 -10 0 143.71 141.67 10.44 o 11 -10 1 9.31 11.64 3.36 o 11 -10 2 114.13 128.74 10.53 o 11 -10 3 12.27 14.40 4.77 o 11 -9 0 57.83 68.91 6.82 o 11 -9 1 114.03 132.17 10.02 o 11 -9 2 57.35 59.90 6.47 o 11 -9 3 83.75 78.66 8.00 o 11 -9 4 38.31 35.43 6.33 o 11 -8 0 78.18 89.54 7.67 o 11 -8 1 111.84 118.67 9.19 o 11 -8 2 76.18 87.58 7.62 o 11 -8 3 84.95 90.67 8.21 o 11 -8 4 49.60 48.72 6.53 o 11 -7 0 246.55 277.16 17.58 o 11 -7 1 12.57 11.47 3.54 o 11 -7 2 189.79 211.02 13.99 o 11 -7 3 16.50 18.54 4.25 o 11 -7 4 119.04 125.53 10.45 o 11 -6 0 51.45 48.65 6.08 o 11 -6 1 194.90 218.46 14.13 o 11 -6 2 53.38 58.66 5.84 o 11 -6 3 135.40 139.99 10.43 o 11 -6 4 36.26 31.80 5.53 o 11 -5 0 87.06 97.24 7.77 o 11 -5 1 147.45 160.98 11.28 o 11 -5 2 84.23 93.64 7.55 o 11 -5 3 110.38 116.65 9.45 o 11 -5 4 52.51 48.03 4.42 o 11 -4 0 314.46 326.02 19.75 o 11 -4 1 13.94 10.72 3.15 o 11 -4 2 238.37 252.06 15.77 o 11 -4 3 15.62 19.08 4.17 o 11 -4 4 141.17 133.68 5.88 o 11 -3 0 43.00 48.34 5.03 o 11 -3 1 162.96 168.72 7.56 o 11 -3 2 45.35 45.74 3.23 o 11 -3 3 114.98 119.66 5.35 o 11 -3 4 32.33 26.54 2.91 o 11 -2 0 64.14 66.39 3.79 o 11 -2 1 163.70 163.48 7.63 o 11 -2 2 61.28 64.61 3.59 o 11 -2 3 117.75 109.42 3.55 o 11 -2 4 37.58 34.19 4.09 o 11 -1 0 199.99 200.47 9.26 o 11 -1 1 15.49 13.30 1.54 o 11 -1 2 154.01 143.79 4.40 o 11 -1 3 14.97 12.39 1.74 o 11 0 0 33.23 27.61 2.36 o 11 0 1 87.85 77.76 2.62 o 11 0 2 33.91 26.34 2.00 o 11 1 0 37.21 31.67 6.15 o 11 1 1 96.80 81.57 3.88 o 12 -11 0 38.17 45.08 7.02 o 12 -11 1 96.19 95.41 6.85 o 12 -10 0 27.73 36.21 6.20 o 12 -10 1 94.32 104.05 6.82 o 12 -10 2 28.06 26.22 5.66 o 12 -9 0 174.30 191.37 13.97 o 12 -9 1 4.84 0.10 1.69 < 12 -9 2 137.94 135.17 11.09 o 12 -9 3 6.48 3.65 3.02 < 12 -8 0 60.68 65.37 6.99 o 12 -8 1 111.62 134.03 10.85 o 12 -8 2 57.83 68.82 7.52 o 12 -8 3 79.32 80.54 8.43 o 12 -7 0 27.43 37.24 5.33 o 12 -7 1 123.88 127.09 10.07 o 12 -7 2 30.02 24.93 5.20 o 12 -7 3 89.96 85.62 8.91 o 12 -6 0 187.55 210.89 14.07 o 12 -6 1 8.88 10.08 3.90 < 12 -6 2 146.97 152.92 11.76 o 12 -6 3 11.21 3.03 5.31 < 12 -5 0 63.44 67.71 6.72 o 12 -5 1 90.68 83.78 8.34 o 12 -5 2 61.49 67.22 7.55 o 12 -5 3 67.48 59.55 6.97 o 12 -4 0 39.77 40.08 6.46 o 12 -4 1 96.71 92.09 8.42 o 12 -4 2 41.19 32.95 6.36 o 12 -4 3 71.89 63.05 5.00 o 12 -3 0 137.94 149.21 11.93 o 12 -3 1 8.50 7.99 3.52 < 12 -3 2 109.70 94.67 5.73 o 12 -3 3 10.49 9.79 2.87 o 12 -2 0 39.31 39.18 5.50 o 12 -2 1 75.75 70.96 4.07 o 12 -2 2 38.20 30.23 3.14 o 12 -1 0 35.37 26.22 2.69 o 12 -1 1 52.99 43.12 4.43 o 13 -9 0 35.61 46.47 8.77 o 13 -9 1 86.94 80.83 6.41 o 13 -8 0 112.06 104.32 9.72 o 13 -8 1 10.05 3.16 2.23 < 13 -8 2 89.32 76.23 9.29 o 13 -7 0 33.47 33.63 5.89 o 13 -7 1 107.38 103.19 6.89 o 13 -7 2 32.95 28.49 6.18 o 13 -6 0 39.50 44.34 6.67 o 13 -6 1 100.34 102.55 6.88 o 13 -6 2 36.83 27.22 6.40 o 13 -5 0 117.17 97.33 9.53 o 13 -5 1 5.47 0.29 3.86 < 13 -5 2 94.05 77.76 9.42 o 13 -4 0 36.98 32.81 7.48 o 13 -4 1 97.15 71.24 6.45 o data_Ib _database_code_depnum_ccdc_archive 'CCDC 872703' #TrackingRef '- nagdf4_1.25 GPa.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Gd1.5 Na1.5' _chemical_formula_weight 384.3 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 6.004(2) _cell_length_b 6.004(2) _cell_length_c 3.594(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 112.20(11) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.6865 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 166 _exptl_absorpt_coefficient_mu 4.81 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type ? _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.4 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 2052 _diffrn_reflns_theta_min 3.19 _diffrn_reflns_theta_max 22.78 _diffrn_reflns_theta_full 15.62 _diffrn_measured_fraction_theta_max 0.73 _diffrn_measured_fraction_theta_full 0.78 _diffrn_reflns_av_R_equivalents 0.0909 _diffrn_reflns_av_sigmaI/netI 0.0145 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -6 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 445 _reflns_number_gt 402 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0600 _refine_ls_wR_factor_gt 0.0829 _refine_ls_R_factor_all 0.0987 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 6.05 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 445 _refine_ls_number_parameters 15 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0869 _refine_ls_shift/su_mean 0.0354 _refine_diff_density_max 8.56 _refine_diff_density_min -15.20 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 1000(400) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0032 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Gd -0.8267 1.4529 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0088 0.0074 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Gd1 Gd 0 0 0 Uani 0.0118(4) 1 1 d . . . Na1 Na 0.333333 0.666667 0.595(6) Uani 0.012(4) 2 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.0050(6) 1 0.5 d . . . Gd2 Gd 0.666667 0.333333 0.5 Uani 0.0050(6) 1 0.5 d . . . F1 F 0.648(4) 0.069(4) 0 Uiso 0.025(3) 3 1 d . . . F2 F 0.718(3) 0.747(2) 0.5 Uiso 0.017(2) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Gd1 Gd 0.0122(6) 0.0122(6) 0.0111(6) 0.0061(3) 0 0 Na1 Na 0.007(6) 0.007(6) 0.023(7) 0.004(3) 0 0 Na2 Na 0.0070(8) 0.0070(8) 0.0008(6) 0.0035(4) 0 0 Gd2 Gd 0.0070(8) 0.0070(8) 0.0008(6) 0.0035(4) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Gd1 F1 . 1_455 2.35(3) ? Gd1 F1 . 2_545 2.35(4) ? Gd1 F1 . 3_665 2.35(2) ? Gd1 F2 . 1_444 2.416(8) ? Gd1 F2 . 1_445 2.416(8) ? Gd1 F2 . 2_654 2.416(13) ? Gd1 F2 . 2_655 2.416(13) ? Gd1 F2 . 3_564 2.416(14) ? Gd1 F2 . 3_565 2.416(14) ? Na1 F1 . 1_566 2.637(19) ? Na1 F1 . 2_556 2.64(2) ? Na1 F1 . 3_666 2.64(3) ? Na1 F2 . . 2.135(19) ? Na1 F2 . 2_665 2.14(2) ? Na1 F2 . 3_565 2.135(15) ? Na2 F1 . . 2.362(17) ? Na2 F1 . 1_556 2.362(17) ? Na2 F1 . 2_655 2.362(14) ? Na2 F1 . 2_656 2.362(14) ? Na2 F1 . 3_665 2.36(3) ? Na2 F1 . 3_666 2.36(3) ? Na2 F2 . . 2.346(16) ? Na2 F2 . 2_655 2.346(13) ? Na2 F2 . 3_665 2.35(3) ? Gd2 F1 . . 2.362(17) ? Gd2 F1 . 1_556 2.362(17) ? Gd2 F1 . 2_655 2.362(14) ? Gd2 F1 . 2_656 2.362(14) ? Gd2 F1 . 3_665 2.36(3) ? Gd2 F1 . 3_666 2.36(3) ? Gd2 F2 . . 2.346(16) ? Gd2 F2 . 2_655 2.346(13) ? Gd2 F2 . 3_665 2.35(3) ? F1 F1 . 2_655 2.66(4) ? F1 F1 . 3_665 2.66(5) ? F1 F2 . 1_544 2.82(3) ? F1 F2 . 1_545 2.82(3) ? F1 F2 . 2_654 2.79(2) ? F1 F2 . 2_655 2.79(2) ? F1 F2 . 3_664 2.68(2) ? F1 F2 . 3_665 2.68(2) ? F2 F2 . 2_765 2.80(2) ? F2 F2 . 3_675 2.797(19) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 0 1 215.77 159.86 1.92 o 0 0 2 6031.16 6178.20 62.54 o 0 0 3 129.60 8.87 2.38 o 0 0 4 2329.13 2276.32 21.61 o 0 0 5 13.69 14.45 2.96 o 0 0 6 768.57 815.39 9.37 o 1 -1 1 2854.72 2999.11 20.28 o 1 -1 2 1278.33 1498.11 8.49 o 1 -1 3 1687.38 1715.90 9.25 o 1 -1 4 568.89 535.02 3.92 o 1 -1 5 690.12 705.72 5.21 o 1 -1 6 178.03 180.72 2.58 o 1 0 1 2830.62 3177.27 19.60 o 1 0 2 1263.38 1440.59 8.46 o 1 0 3 1695.62 1679.60 10.01 o 1 0 4 559.86 503.68 3.71 o 1 0 5 699.12 673.42 4.82 o 1 0 6 175.51 187.21 2.66 o 1 1 1 734.88 741.10 7.01 o 1 1 2 2826.59 2372.85 18.48 o 1 1 3 226.79 162.67 2.14 o 1 1 4 1235.46 1243.74 8.01 o 1 1 5 30.95 29.07 1.89 o 1 1 6 508.33 512.79 4.25 o 2 -3 1 3822.33 3765.99 38.22 o 2 -3 2 1262.58 1436.13 12.55 o 2 -3 3 1938.48 1873.24 14.22 o 2 -3 4 545.08 576.42 5.26 o 2 -3 5 727.66 809.47 6.50 o 2 -3 6 172.01 176.03 3.28 o 2 -2 1 4208.68 4896.36 57.76 o 2 -2 2 962.05 1084.76 7.81 o 2 -2 3 2214.78 2267.98 14.54 o 2 -2 4 468.68 428.53 3.82 o 2 -2 5 811.72 861.74 6.37 o 2 -2 6 156.15 144.26 2.52 o 2 -1 1 792.73 681.48 6.56 o 2 -1 2 2821.09 2723.20 19.12 o 2 -1 3 245.82 162.23 2.15 o 2 -1 4 1230.65 1239.20 7.65 o 2 -1 5 34.08 39.32 1.98 o 2 -1 6 505.44 487.55 4.44 o 2 0 1 4208.39 4544.16 66.13 o 2 0 2 973.47 1149.71 7.90 o 2 0 3 2195.79 2294.15 14.82 o 2 0 4 477.86 440.83 3.59 o 2 0 5 800.78 825.84 5.89 o 2 0 6 159.64 147.81 2.36 o 2 1 1 2970.28 2858.55 41.23 o 2 1 2 294.52 359.48 4.35 o 2 1 3 1606.78 1631.67 11.89 o 2 1 4 235.60 234.04 3.55 o 2 1 5 650.28 683.89 5.18 o 2 1 6 97.59 103.35 2.50 o 2 2 1 110.90 84.00 4.84 o 2 2 2 2210.26 2059.61 19.25 o 2 2 3 85.83 76.25 2.28 o 2 2 4 987.31 1025.02 8.56 o 2 2 5 11.95 24.44 2.79 o 2 2 6 419.34 404.90 5.24 o 3 -5 1 1777.06 2129.29 31.05 o 3 -5 2 328.96 348.20 4.52 o 3 -5 3 1031.34 1110.43 12.40 o 3 -5 4 220.81 229.35 4.22 o 3 -5 5 457.04 465.61 5.36 o 3 -5 6 91.59 70.84 2.95 o 3 -4 0 1158.38 1104.20 16.21 o 3 -4 1 1501.61 1511.20 18.06 o 3 -4 2 915.67 1044.52 10.20 o 3 -4 3 954.03 904.85 8.46 o 3 -4 4 436.99 423.98 5.01 o 3 -4 5 453.45 457.32 4.72 o 3 -4 6 146.08 139.26 3.18 o 3 -3 1 90.35 49.50 1.98 o 3 -3 2 3542.84 3323.59 30.66 o 3 -3 3 76.71 57.94 1.75 o 3 -3 4 1408.39 1490.04 10.58 o 3 -3 5 8.86 15.38 1.91 o 3 -3 6 535.72 520.71 5.33 o 3 -2 1 2983.21 2968.73 34.95 o 3 -2 2 275.65 346.49 3.75 o 3 -2 3 1597.13 1627.85 11.83 o 3 -2 4 236.20 223.71 3.25 o 3 -2 5 643.92 712.34 5.87 o 3 -2 6 99.62 104.56 2.57 o 3 -1 0 1707.50 1292.74 27.04 o 3 -1 1 3817.07 3684.29 37.37 o 3 -1 2 1247.57 1320.67 11.67 o 3 -1 3 1954.09 1791.36 14.53 o 3 -1 4 536.25 555.51 5.21 o 3 -1 5 738.03 835.58 6.41 o 3 -1 6 169.30 186.69 3.17 o 3 0 1 83.86 84.42 3.55 o 3 0 2 3543.78 3286.00 34.32 o 3 0 3 74.48 63.41 1.89 o 3 0 4 1409.15 1440.01 10.31 o 3 0 5 8.47 15.90 2.17 o 3 0 6 536.16 511.84 4.49 o 3 1 1 2182.87 2021.77 29.43 o 3 1 2 558.00 513.99 7.27 o 3 1 3 1214.58 1239.91 12.38 o 3 1 4 318.99 357.33 4.43 o 3 1 5 520.92 487.91 5.00 o 3 1 6 117.27 122.63 2.89 o 3 2 1 2835.86 2519.64 37.05 o 3 2 2 737.35 716.16 11.21 o 3 2 3 1514.28 1845.82 20.74 o 3 2 4 370.17 371.26 4.91 o 3 2 5 605.29 701.23 7.57 o 3 2 6 131.89 129.13 4.15 o 3 3 1 55.32 33.12 2.32 o 3 3 2 1401.33 1214.90 25.87 o 3 3 3 40.60 62.95 3.62 o 3 3 4 670.14 824.95 10.18 o 3 3 5 4.90 19.29 3.40 o 4 -7 2 335.33 495.15 12.41 o 4 -7 3 624.55 860.09 9.93 o 4 -7 4 200.71 281.22 5.41 o 4 -7 5 301.54 363.90 6.31 o 4 -6 1 1389.06 1510.32 31.51 o 4 -6 2 208.17 264.86 4.49 o 4 -6 3 828.75 827.60 9.57 o 4 -6 4 144.26 153.96 3.58 o 4 -6 5 378.93 415.09 6.23 o 4 -5 0 3183.37 2571.38 38.84 o 4 -5 1 76.55 64.18 1.93 o 4 -5 2 2179.17 2243.86 21.37 o 4 -5 3 56.14 55.30 2.75 o 4 -5 4 952.66 994.05 10.19 o 4 -5 5 6.16 19.16 2.41 o 4 -5 6 393.76 342.72 5.04 o 4 -4 1 1213.06 1210.10 18.30 o 4 -4 2 843.53 939.80 10.61 o 4 -4 3 783.03 830.91 8.00 o 4 -4 4 413.78 451.46 5.45 o 4 -4 5 386.87 410.39 5.30 o 4 -4 6 140.43 147.06 3.96 o 4 -3 1 2154.86 1977.74 29.62 o 4 -3 2 555.63 601.87 7.09 o 4 -3 3 1216.49 1168.45 9.83 o 4 -3 4 314.65 351.87 4.37 o 4 -3 5 525.59 577.77 5.82 o 4 -3 6 115.42 118.41 3.06 o 4 -2 1 102.51 60.94 1.51 o 4 -2 2 2220.16 2003.47 18.79 o 4 -2 3 82.71 43.52 2.12 o 4 -2 4 991.95 1035.06 8.51 o 4 -2 5 11.37 17.58 2.00 o 4 -2 6 421.19 401.62 4.69 o 4 -1 0 1167.29 1041.53 21.71 o 4 -1 1 1520.18 1608.48 19.74 o 4 -1 2 925.89 1027.22 11.25 o 4 -1 3 944.46 811.39 9.48 o 4 -1 4 442.42 399.10 4.41 o 4 -1 5 444.50 441.47 4.71 o 4 -1 6 147.09 132.00 2.81 o 4 0 1 1185.33 957.80 20.74 o 4 0 2 828.95 813.59 13.04 o 4 0 3 786.96 846.33 8.93 o 4 0 4 407.08 430.62 5.81 o 4 0 5 393.83 398.80 5.24 o 4 0 6 139.14 105.84 2.89 o 4 1 1 91.01 1.79 1.93 < 4 1 2 1783.05 1558.60 23.28 o 4 1 3 65.95 92.41 4.21 o 4 1 4 814.94 793.31 10.87 o 4 1 5 8.42 13.64 2.06 o 4 1 6 354.08 336.85 6.65 o 4 2 1 1337.06 1138.36 16.89 o 4 2 2 313.11 329.05 5.88 o 4 2 3 803.64 756.12 12.44 o 4 2 4 196.28 191.18 4.74 o 4 2 5 370.53 468.04 7.50 o 4 3 1 696.85 618.51 13.62 o 4 3 2 374.84 410.50 10.33 o 4 3 3 469.15 424.99 10.87 o 4 3 4 214.54 201.00 7.27 o 4 3 5 248.00 242.38 9.40 o 4 4 2 964.80 1361.28 29.66 o 4 4 3 15.53 14.11 4.56 o 4 4 4 480.35 561.71 13.76 o 5 -9 3 320.57 300.37 9.77 o 5 -9 4 70.92 75.63 6.63 o 5 -8 3 495.95 842.75 11.68 o 5 -8 4 127.67 180.02 3.94 o 5 -7 1 47.84 74.80 3.66 o 5 -7 2 883.87 797.53 10.16 o 5 -7 3 31.24 44.58 3.16 o 5 -7 4 453.30 563.86 8.66 o 5 -7 5 4.50 1.43 2.19 < 5 -6 0 437.20 534.51 8.26 o 5 -6 1 1532.37 1511.04 22.36 o 5 -6 2 393.27 507.51 6.25 o 5 -6 3 894.54 957.87 10.96 o 5 -6 4 229.21 294.12 4.98 o 5 -6 5 397.98 350.23 4.85 o 5 -5 1 1581.46 1772.75 37.28 o 5 -5 2 487.24 627.27 10.35 o 5 -5 3 940.20 931.17 10.81 o 5 -5 4 274.81 292.05 4.48 o 5 -5 5 425.28 453.43 6.00 o 5 -5 6 106.36 133.89 6.45 o 5 -4 1 88.60 17.99 2.09 o 5 -4 2 1781.92 1432.66 15.29 o 5 -4 3 64.98 55.04 2.42 o 5 -4 4 814.61 876.21 10.32 o 5 -4 5 8.24 26.99 3.72 o 5 -4 6 354.07 344.00 6.08 o 5 -3 1 2833.02 2841.90 29.26 o 5 -3 2 754.42 853.33 11.10 o 5 -3 3 1499.25 1531.91 16.40 o 5 -3 4 379.77 381.38 4.59 o 5 -3 5 596.08 621.55 6.51 o 5 -3 6 135.28 105.88 3.33 o 5 -2 1 1768.67 1973.29 23.64 o 5 -2 2 330.23 367.25 4.72 o 5 -2 3 1040.08 1019.44 11.40 o 5 -2 4 217.71 243.78 4.23 o 5 -2 5 463.33 355.73 4.61 o 5 -2 6 89.69 72.36 2.82 o 5 -1 0 3178.51 3040.23 62.50 o 5 -1 1 81.08 79.94 2.71 o 5 -1 2 2175.19 2007.77 21.51 o 5 -1 3 58.03 50.59 2.95 o 5 -1 4 950.47 985.73 10.25 o 5 -1 5 6.51 17.78 2.90 o 5 -1 6 392.77 335.18 5.28 o 5 0 2 501.14 568.88 13.62 o 5 0 3 931.09 835.28 13.75 o 5 0 4 282.71 411.42 6.89 o 5 0 5 418.25 476.44 6.96 o 5 0 6 109.09 102.59 5.25 o 5 1 2 156.76 138.07 4.61 o 5 1 3 736.68 655.31 15.78 o 5 1 4 116.95 104.49 3.55 o 5 1 5 346.28 299.39 6.87 o 5 2 1 18.12 12.06 1.77 o 5 2 2 1101.27 974.74 15.01 o 5 2 3 15.63 13.54 2.24 o 5 2 4 542.70 554.41 9.64 o 5 2 5 1.03 12.23 3.14 o 5 3 1 515.13 541.58 12.23 o 5 3 2 230.80 328.11 8.66 o 5 3 3 346.93 325.85 9.25 o 5 3 4 145.83 128.36 6.48 o 5 3 5 189.45 2.53 4.12 < 5 4 2 105.13 13.48 5.04 < 5 4 3 300.38 316.18 8.56 o 5 4 4 77.50 72.01 5.66 o 5 5 3 3.94 25.11 13.33 < 6 -9 3 13.37 29.44 5.48 o 6 -9 4 251.20 386.09 14.10 o 6 -8 1 595.66 709.87 15.58 o 6 -8 2 166.01 222.89 6.83 o 6 -8 3 389.91 429.76 6.24 o 6 -8 4 110.99 110.19 3.54 o 6 -7 0 228.89 246.28 4.42 o 6 -7 1 701.94 688.16 10.92 o 6 -7 2 214.68 274.00 3.87 o 6 -7 3 466.46 493.87 6.09 o 6 -7 4 138.51 147.11 4.79 o 6 -7 5 241.84 228.48 6.09 o 6 -6 1 51.05 43.02 3.70 o 6 -6 2 998.36 893.47 14.28 o 6 -6 3 34.34 32.25 3.04 o 6 -6 4 501.79 522.01 6.79 o 6 -6 5 4.62 10.82 3.30 o 6 -5 2 151.25 180.96 4.59 o 6 -5 3 735.24 727.92 8.67 o 6 -5 4 117.62 113.24 3.26 o 6 -5 5 343.91 335.37 6.11 o 6 -4 0 333.48 360.73 8.03 o 6 -4 1 1332.37 1315.36 15.88 o 6 -4 2 313.99 374.22 4.74 o 6 -4 3 811.70 877.68 11.64 o 6 -4 4 194.28 186.12 4.81 o 6 -4 5 376.45 378.91 5.44 o 6 -3 1 48.27 38.77 1.70 o 6 -3 2 1395.64 1289.23 19.46 o 6 -3 3 37.61 55.84 2.99 o 6 -3 4 668.07 815.11 9.72 o 6 -3 5 4.38 10.96 3.32 o 6 -2 1 1408.61 1323.16 27.67 o 6 -2 2 203.28 239.40 3.54 o 6 -2 3 829.91 874.02 10.11 o 6 -2 4 145.24 152.18 3.29 o 6 -2 5 377.37 396.51 6.69 o 6 -1 0 431.34 596.59 13.08 o 6 -1 1 1526.79 1381.42 28.97 o 6 -1 2 385.97 500.95 9.18 o 6 -1 3 901.30 894.09 14.26 o 6 -1 4 224.00 283.88 5.04 o 6 -1 5 403.39 410.09 6.06 o 6 0 1 44.22 1.05 1.17 < 6 0 2 1003.22 893.37 20.20 o 6 0 3 31.20 37.80 4.04 o 6 0 4 504.92 489.60 9.10 o 6 0 5 4.08 25.59 3.47 o 6 1 3 616.58 624.84 14.52 o 6 1 4 156.92 0.24 2.34 < 6 1 5 292.51 148.46 5.05 o 6 2 1 710.87 754.77 16.54 o 6 2 2 193.84 212.66 4.12 o 6 2 3 466.50 466.71 8.00 o 6 2 4 127.78 116.62 5.78 o 6 3 1 10.77 12.61 2.31 o 6 3 2 488.79 519.56 12.68 o 6 3 3 8.33 3.93 3.96 < 6 3 4 267.73 227.27 7.97 o 6 4 2 108.03 12.74 4.46 < 6 4 3 271.33 263.01 7.85 o 7 -10 3 218.54 364.74 12.63 o 7 -9 1 396.02 467.45 10.69 o 7 -9 2 115.91 185.19 6.55 o 7 -9 3 272.90 326.02 6.38 o 7 -8 0 1076.97 1135.10 16.85 o 7 -8 1 5.18 12.96 1.63 o 7 -8 2 801.66 862.83 11.04 o 7 -8 3 4.45 7.07 2.34 o 7 -8 4 410.80 411.46 10.25 o 7 -7 2 204.90 247.66 5.09 o 7 -7 3 371.57 403.25 7.59 o 7 -7 4 133.23 138.43 4.51 o 7 -6 2 249.32 191.94 4.45 o 7 -6 3 619.27 613.27 10.17 o 7 -6 4 154.19 164.05 3.40 o 7 -6 5 295.72 225.32 5.09 o 7 -5 0 1523.91 1775.70 37.18 o 7 -5 1 21.10 27.25 1.83 o 7 -5 2 1103.82 1082.17 11.78 o 7 -5 3 16.98 12.36 1.69 o 7 -5 4 543.68 591.21 8.42 o 7 -5 5 1.24 3.07 2.80 < 7 -4 1 704.38 659.19 10.32 o 7 -4 2 377.12 447.18 7.84 o 7 -4 3 463.62 557.52 7.97 o 7 -4 4 216.08 268.31 5.05 o 7 -4 5 242.28 271.19 5.76 o 7 -3 2 328.99 456.62 8.33 o 7 -3 3 631.00 741.09 9.88 o 7 -3 4 196.53 230.96 4.38 o 7 -3 5 307.03 296.92 5.50 o 7 -2 1 55.81 41.15 2.78 o 7 -2 2 883.77 814.11 12.62 o 7 -2 3 34.91 38.37 2.54 o 7 -2 4 452.36 561.03 7.47 o 7 -2 5 5.11 9.16 2.34 o 7 -1 0 225.35 204.74 5.41 o 7 -1 1 703.18 649.33 14.73 o 7 -1 2 214.02 247.86 5.48 o 7 -1 3 459.36 464.73 8.07 o 7 -1 4 139.43 116.94 4.17 o 7 -1 5 236.43 180.92 5.24 o 7 0 2 203.10 113.65 5.11 o 7 0 3 376.44 353.74 9.34 o 7 0 4 131.57 60.91 3.00 o 7 1 3 15.09 0.24 1.70 < 7 2 1 399.43 0.03 1.35 < 7 2 2 61.28 50.90 2.50 o 7 2 3 272.17 182.17 5.24 o 7 2 4 52.11 1.15 2.71 < 7 3 2 83.51 53.87 4.92 o 7 3 3 204.28 0.23 2.31 < 8 -10 2 278.07 259.01 7.72 o 8 -9 0 107.32 144.73 2.76 o 8 -9 1 316.85 345.29 5.97 o 8 -9 2 104.93 132.36 2.70 o 8 -9 3 220.72 132.81 4.27 o 8 -8 1 364.46 0.53 1.94 < 8 -8 2 136.62 67.38 3.84 o 8 -8 3 257.25 260.69 5.63 o 8 -8 4 94.51 88.67 4.09 o 8 -7 3 13.73 3.68 1.41 < 8 -7 4 309.72 296.72 6.34 o 8 -6 1 710.33 754.92 9.47 o 8 -6 2 198.96 258.98 4.00 o 8 -6 3 459.81 495.22 6.85 o 8 -6 4 131.37 127.20 3.74 o 8 -5 1 508.84 530.42 8.48 o 8 -5 2 227.64 290.22 5.50 o 8 -5 3 350.43 416.44 6.15 o 8 -5 4 143.78 184.12 4.09 o 8 -4 2 966.59 1090.64 16.62 o 8 -4 3 15.21 2.35 2.47 < 8 -4 4 481.37 524.90 9.17 o 8 -4 5 0.80 0.26 2.62 < 8 -3 3 489.57 749.95 12.73 o 8 -3 4 131.85 163.66 3.83 o 8 -2 1 589.86 623.17 13.94 o 8 -2 2 166.50 205.86 6.29 o 8 -2 3 392.56 382.60 7.08 o 8 -2 4 110.23 100.50 3.92 o 8 -1 0 1077.08 769.80 16.44 o 8 -1 1 5.21 4.03 1.98 < 8 -1 2 801.74 695.43 10.86 o 8 -1 3 4.46 12.65 2.22 o 8 -1 4 410.83 389.44 11.64 o 8 0 1 369.34 0.19 1.91 < 8 0 3 255.11 1.19 1.52 < 8 0 4 96.65 2.10 2.41 < 8 1 2 88.64 0.17 1.67 < 8 1 3 258.66 0.19 1.40 < 8 2 2 329.50 0.11 1.11 < 9 -10 2 51.38 20.06 3.14 o 9 -9 1 9.02 2.87 1.47 < 9 -9 2 308.08 1.56 2.06 < 9 -9 3 6.10 5.16 2.62 < 9 -8 2 90.39 3.04 1.43 < 9 -8 3 257.38 0.94 1.39 < 9 -7 2 62.11 68.79 2.22 o 9 -7 3 273.52 269.58 5.26 o 9 -7 4 51.32 16.41 2.73 o 9 -6 1 10.46 8.33 1.58 o 9 -6 2 485.64 441.55 7.65 o 9 -6 3 8.21 6.10 2.73 < 9 -6 4 266.05 193.75 4.55 o 9 -5 2 106.71 144.20 3.52 o 9 -5 3 300.99 317.70 5.96 o 9 -5 4 79.27 71.23 3.55 o 9 -4 3 320.24 413.80 7.89 o 9 -4 4 69.34 74.11 4.28 o 9 -3 4 252.83 1.64 2.76 < 9 -2 1 401.82 460.30 10.39 o 9 -2 2 116.85 162.52 5.25 o 9 -2 3 271.99 141.92 4.36 o 9 -2 4 82.22 66.77 6.71 o 9 -1 0 105.16 4.26 1.48 < 9 -1 1 312.47 304.17 7.66 o 9 -1 2 102.45 132.15 5.54 o 9 -1 3 222.17 197.12 7.00 o 9 0 1 7.61 0.14 1.44 < 9 0 2 311.57 1.35 2.18 < 9 0 3 5.44 0.08 2.77 < 10 -9 2 69.93 0.29 2.92 < 10 -8 1 0.39 0.18 1.82 < 10 -8 2 328.92 0.35 1.27 < 10 -7 1 291.14 324.88 7.97 o 10 -7 2 83.46 106.02 3.56 o 10 -7 3 202.94 99.65 5.44 o 10 -6 2 104.41 149.53 3.79 o 10 -6 3 275.37 243.51 6.11 o 10 -5 3 4.53 3.71 3.60 < 10 -1 1 228.85 1.59 1.61 < 10 -1 2 52.67 3.42 2.41 < 11 -8 1 144.32 3.48 2.23 < data_Ic _database_code_depnum_ccdc_archive 'CCDC 872704' #TrackingRef '- nagdf4_2.75 GPa.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Gd1.737 Na0.263' _chemical_formula_weight 393.2 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 5.963(2) _cell_length_b 5.963(2) _cell_length_c 3.575(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 110.09(8) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.9287 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 166 _exptl_absorpt_coefficient_mu 5.632 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type ? _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.4 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 1899 _diffrn_reflns_theta_min 3.21 _diffrn_reflns_theta_max 22.81 _diffrn_reflns_theta_full 15.73 _diffrn_measured_fraction_theta_max 0.78 _diffrn_measured_fraction_theta_full 0.88 _diffrn_reflns_av_R_equivalents 0.0878 _diffrn_reflns_av_sigmaI/netI 0.0162 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -6 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 455 _reflns_number_gt 427 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0614 _refine_ls_wR_factor_gt 0.0845 _refine_ls_R_factor_all 0.0725 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 5.94 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 455 _refine_ls_number_parameters 15 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0435 _refine_ls_shift/su_mean 0.0158 _refine_diff_density_max 6.61 _refine_diff_density_min -6.09 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 1300(400) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0032 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Gd -0.8267 1.4529 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0088 0.0074 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Gd1 Gd 0 0 0 Uani 0.0117(4) 1 1 d . . . Na1 Na 0.333333 0.666667 0.579(5) Uani 0.016(4) 2 0.5 d . . . Gd2 Gd 0.666667 0.333333 0.5 Uani 0.0037(5) 1 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.0037(5) 1 0.5 d . . . F1 F 0.647(4) 0.061(3) 0 Uiso 0.026(3) 3 1 d . . . F2 F 0.720(2) 0.7510(19) 0.5 Uiso 0.0117(17) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Gd1 Gd 0.0121(5) 0.0121(5) 0.0110(6) 0.0060(3) 0 0 Na1 Na 0.015(5) 0.015(5) 0.017(5) 0.008(3) 0 0 Gd2 Gd 0.0050(7) 0.0050(7) 0.0011(6) 0.0025(3) 0 0 Na2 Na 0.0050(7) 0.0050(7) 0.0011(6) 0.0025(3) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Gd1 F1 . 1_455 2.31(3) ? Gd1 F1 . 2_545 2.31(3) ? Gd1 F1 . 3_665 2.31(2) ? Gd1 F2 . 1_444 2.390(6) ? Gd1 F2 . 1_445 2.390(6) ? Gd1 F2 . 2_654 2.390(10) ? Gd1 F2 . 2_655 2.390(10) ? Gd1 F2 . 3_564 2.390(10) ? Gd1 F2 . 3_565 2.390(10) ? Na1 F1 . 1_565 2.985(17) ? Na1 F1 . 1_566 2.625(17) ? Na1 F1 . 2_555 2.98(2) ? Na1 F1 . 2_556 2.63(2) ? Na1 F1 . 3_665 2.98(3) ? Na1 F1 . 3_666 2.63(3) ? Na1 F2 . . 2.118(14) ? Na1 F2 . 2_665 2.118(19) ? Na1 F2 . 3_565 2.118(11) ? Gd2 F1 . . 2.378(15) ? Gd2 F1 . 1_556 2.378(15) ? Gd2 F1 . 2_655 2.378(12) ? Gd2 F1 . 2_656 2.378(12) ? Gd2 F1 . 3_665 2.38(2) ? Gd2 F1 . 3_666 2.38(2) ? Gd2 F2 . . 2.348(12) ? Gd2 F2 . 2_655 2.348(10) ? Gd2 F2 . 3_665 2.35(2) ? Na2 F1 . . 2.378(15) ? Na2 F1 . 1_556 2.378(15) ? Na2 F1 . 2_655 2.378(12) ? Na2 F1 . 2_656 2.378(12) ? Na2 F1 . 3_665 2.38(2) ? Na2 F1 . 3_666 2.38(2) ? Na2 F2 . . 2.348(12) ? Na2 F2 . 2_655 2.348(10) ? Na2 F2 . 3_665 2.35(2) ? F1 F1 . 2_655 2.72(3) ? F1 F1 . 3_665 2.72(4) ? F1 F2 . 1_544 2.76(2) ? F1 F2 . 1_545 2.76(2) ? F1 F2 . 2_654 2.80(2) ? F1 F2 . 2_655 2.80(2) ? F1 F2 . 3_664 2.677(18) ? F1 F2 . 3_665 2.677(18) ? F2 F2 . 2_765 2.747(17) ? F2 F2 . 3_675 2.747(15) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 0 1 194.12 146.97 1.77 o 0 0 2 5355.10 5418.71 63.17 o 0 0 3 91.37 18.80 2.24 o 0 0 4 2356.20 2225.27 21.08 o 0 0 5 9.55 4.01 2.60 < 0 0 6 764.67 799.88 11.36 o 1 -1 1 2602.60 2962.63 22.71 o 1 -1 2 1184.53 1392.58 9.28 o 1 -1 3 1649.57 1606.99 9.91 o 1 -1 4 537.65 538.91 4.18 o 1 -1 5 665.41 683.92 5.18 o 1 -1 6 180.86 182.14 2.86 o 1 0 1 2583.59 2744.23 21.03 o 1 0 2 1174.65 1473.67 8.61 o 1 0 3 1652.33 1661.83 9.21 o 1 0 4 530.73 516.01 3.63 o 1 0 5 674.55 668.97 5.29 o 1 0 6 178.97 191.50 3.24 o 1 1 1 715.04 719.46 6.83 o 1 1 2 2751.02 2466.36 16.92 o 1 1 3 210.19 128.52 2.26 o 1 1 4 1228.64 1204.59 7.45 o 1 1 5 36.43 39.30 1.99 o 1 1 6 474.35 510.43 5.12 o 2 -3 0 1645.36 1540.82 31.62 o 2 -3 1 3527.34 3732.87 75.39 o 2 -3 2 1175.25 1349.19 12.80 o 2 -3 3 1894.62 1968.45 18.77 o 2 -3 4 519.11 553.64 5.23 o 2 -3 5 720.03 852.08 7.41 o 2 -3 6 179.85 185.41 3.06 o 2 -2 1 3824.81 3951.29 79.83 o 2 -2 2 896.70 1123.88 8.64 o 2 -2 3 2182.19 2277.64 15.22 o 2 -2 4 440.52 453.74 4.15 o 2 -2 5 811.40 850.29 7.22 o 2 -2 6 159.30 160.00 2.90 o 2 -1 1 771.58 707.81 6.13 o 2 -1 2 2746.41 2480.26 16.18 o 2 -1 3 229.95 147.73 2.10 o 2 -1 4 1221.63 1269.73 8.47 o 2 -1 5 40.04 42.34 2.06 o 2 -1 6 469.08 518.41 4.82 o 2 0 1 3825.05 4123.52 42.63 o 2 0 2 908.13 1001.18 7.64 o 2 0 3 2169.01 2186.27 15.33 o 2 0 4 450.33 444.30 3.85 o 2 0 5 800.54 848.43 6.17 o 2 0 6 163.72 155.80 2.66 o 2 1 1 2847.84 2703.44 31.90 o 2 1 2 266.91 318.79 3.32 o 2 1 3 1590.80 1610.02 12.35 o 2 1 4 207.01 206.21 3.14 o 2 1 5 639.49 675.46 6.00 o 2 1 6 90.42 102.72 2.76 o 2 2 1 108.71 69.00 2.50 o 2 2 2 2219.04 2007.98 20.85 o 2 2 3 70.66 38.56 2.02 o 2 2 4 1004.35 953.01 10.94 o 2 2 5 12.22 19.37 2.39 o 2 2 6 401.17 420.24 4.79 o 3 -5 1 1757.97 2003.53 29.18 o 3 -5 2 317.75 448.88 6.58 o 3 -5 3 1036.28 1108.07 12.55 o 3 -5 4 204.96 232.67 5.36 o 3 -5 5 455.44 507.29 7.11 o 3 -5 6 90.69 74.57 3.64 o 3 -4 0 1206.70 1044.08 21.48 o 3 -4 1 1444.38 1772.60 21.73 o 3 -4 2 908.50 1043.30 13.10 o 3 -4 3 920.28 982.21 10.04 o 3 -4 4 433.86 451.98 6.56 o 3 -4 5 430.61 466.69 5.57 o 3 -4 6 156.35 129.73 3.09 o 3 -3 1 107.21 54.35 2.63 o 3 -3 2 3503.75 3562.77 36.99 o 3 -3 3 65.31 72.87 2.37 o 3 -3 4 1449.18 1470.98 10.39 o 3 -3 5 8.12 16.55 1.69 o 3 -3 6 529.38 526.82 5.00 o 3 -2 1 2866.24 2952.15 34.60 o 3 -2 2 246.58 314.26 3.66 o 3 -2 3 1592.36 1571.81 12.06 o 3 -2 4 206.49 199.41 2.83 o 3 -2 5 637.40 660.95 5.45 o 3 -2 6 92.31 97.46 2.42 o 3 -1 0 1629.58 1279.29 26.33 o 3 -1 1 3522.78 3278.48 33.27 o 3 -1 2 1159.05 1273.08 11.10 o 3 -1 3 1906.12 1787.67 17.05 o 3 -1 4 509.26 554.91 4.97 o 3 -1 5 731.33 818.89 6.69 o 3 -1 6 176.24 170.72 3.43 o 3 0 1 100.58 71.65 2.57 o 3 0 2 3506.31 3137.53 32.36 o 3 0 3 62.92 47.97 2.01 o 3 0 4 1451.14 1341.79 11.35 o 3 0 5 7.65 20.27 2.19 o 3 0 6 530.52 541.12 5.88 o 3 1 0 566.10 513.85 10.99 o 3 1 1 2107.28 1979.54 23.55 o 3 1 2 497.85 584.26 6.14 o 3 1 3 1205.82 1298.62 11.83 o 3 1 4 288.32 357.96 4.88 o 3 1 5 513.72 579.15 5.73 o 3 1 6 114.97 121.69 3.26 o 3 2 0 928.82 821.27 17.26 o 3 2 1 2812.85 2801.42 40.70 o 3 2 2 717.99 839.63 10.60 o 3 2 3 1549.54 1733.22 16.93 o 3 2 4 360.66 424.21 6.24 o 3 2 5 632.64 637.97 7.40 o 3 2 6 142.42 106.57 3.71 o 3 3 1 59.01 61.66 4.07 o 3 3 2 1433.30 1627.90 20.27 o 3 3 3 34.55 46.93 3.17 o 3 3 4 695.91 868.04 11.81 o 3 3 5 4.63 5.26 2.03 < 4 -7 2 338.79 540.23 9.87 o 4 -7 3 650.04 907.63 21.55 o 4 -7 4 199.85 240.21 4.92 o 4 -7 5 315.08 304.97 5.98 o 4 -6 0 187.53 166.39 4.09 o 4 -6 1 1375.82 1488.64 31.08 o 4 -6 2 177.45 233.95 4.16 o 4 -6 3 835.74 910.36 12.11 o 4 -6 4 120.56 150.80 4.32 o 4 -6 5 381.52 398.83 6.30 o 4 -5 0 3045.54 2669.31 54.32 o 4 -5 1 48.42 44.50 3.41 o 4 -5 2 2192.09 2283.97 27.84 o 4 -5 3 30.30 13.54 1.56 o 4 -5 4 990.99 1085.45 14.06 o 4 -5 5 2.71 5.91 1.77 o 4 -5 6 396.28 341.92 6.10 o 4 -4 1 1184.85 1167.21 24.56 o 4 -4 2 825.10 926.28 14.48 o 4 -4 3 769.42 859.29 11.68 o 4 -4 4 405.44 445.27 6.16 o 4 -4 5 369.65 399.06 5.63 o 4 -4 6 148.30 141.03 3.63 o 4 -3 1 2083.69 2063.84 29.97 o 4 -3 2 495.84 425.83 8.00 o 4 -3 3 1204.19 1248.35 12.29 o 4 -3 4 284.48 342.17 4.39 o 4 -3 5 517.66 551.61 5.49 o 4 -3 6 113.15 97.79 2.75 o 4 -2 0 3046.94 2929.37 60.29 o 4 -2 1 98.83 54.81 1.65 o 4 -2 2 2222.10 2036.68 17.39 o 4 -2 3 66.93 54.79 1.96 o 4 -2 4 1006.87 998.09 11.45 o 4 -2 5 11.49 21.53 1.97 o 4 -2 6 402.80 379.83 4.56 o 4 -1 0 1215.45 1027.70 21.37 o 4 -1 1 1463.29 1388.19 17.04 o 4 -1 2 916.47 963.30 10.60 o 4 -1 3 915.04 873.99 8.81 o 4 -1 4 437.40 413.34 4.58 o 4 -1 5 421.26 453.38 4.89 o 4 -1 6 156.22 127.45 2.80 o 4 0 1 1161.98 1061.64 23.00 o 4 0 2 813.68 860.01 9.71 o 4 0 3 771.76 746.11 8.63 o 4 0 4 400.96 467.89 5.93 o 4 0 5 377.78 396.90 6.81 o 4 0 6 148.29 127.43 3.79 o 4 1 0 2429.36 2282.52 47.00 o 4 1 1 75.45 62.98 2.87 o 4 1 2 1768.34 1512.98 18.33 o 4 1 3 47.29 41.40 2.94 o 4 1 4 825.89 798.40 11.05 o 4 1 5 6.70 6.07 2.94 < 4 1 6 341.70 264.44 7.11 o 4 2 0 343.49 346.90 7.82 o 4 2 1 1347.10 1291.40 27.24 o 4 2 2 302.09 347.28 4.99 o 4 2 3 816.77 802.46 12.93 o 4 2 4 182.97 185.39 7.12 o 4 2 5 373.50 342.51 9.96 o 4 3 1 673.12 655.11 15.18 o 4 3 2 376.76 489.70 8.55 o 4 3 3 456.10 442.66 11.43 o 4 3 4 214.17 1.32 4.76 < 4 3 5 240.02 270.87 8.85 o 4 4 2 1007.89 1204.34 26.92 o 4 4 3 5.45 13.91 4.42 o 4 4 4 523.26 658.06 17.17 o 5 -9 3 346.68 500.67 14.63 o 5 -9 4 60.51 46.89 8.92 o 5 -8 3 532.17 700.42 12.39 o 5 -8 4 126.34 111.36 3.80 o 5 -7 0 1187.45 1328.88 28.21 o 5 -7 1 50.53 74.01 4.09 o 5 -7 2 910.05 958.82 21.22 o 5 -7 3 27.48 42.88 3.03 o 5 -7 4 476.95 584.97 9.08 o 5 -7 5 5.26 8.39 2.50 o 5 -6 0 454.93 455.51 10.10 o 5 -6 1 1560.43 1588.72 33.28 o 5 -6 2 381.11 498.70 8.47 o 5 -6 3 928.45 1200.38 16.36 o 5 -6 4 218.18 211.34 5.17 o 5 -6 5 415.91 412.63 6.34 o 5 -5 1 1624.86 1893.80 39.57 o 5 -5 3 975.11 967.81 22.63 o 5 -5 4 268.92 346.53 5.49 o 5 -5 5 440.61 466.24 6.66 o 5 -4 2 1772.28 1557.83 19.19 o 5 -4 3 46.23 40.79 2.86 o 5 -4 4 828.18 837.17 11.27 o 5 -4 5 6.47 13.78 2.02 o 5 -4 6 342.85 281.45 5.34 o 5 -3 0 949.90 982.19 20.55 o 5 -3 1 2807.64 2824.97 57.77 o 5 -3 2 736.53 877.78 10.96 o 5 -3 3 1536.14 1615.08 17.21 o 5 -3 4 371.89 419.73 5.23 o 5 -3 5 622.15 667.61 7.29 o 5 -3 6 147.27 117.84 3.28 o 5 -2 0 346.95 297.90 6.77 o 5 -2 1 1750.47 1740.41 20.86 o 5 -2 2 320.92 383.52 4.30 o 5 -2 3 1040.46 1012.13 10.23 o 5 -2 4 203.08 215.70 3.88 o 5 -2 5 460.24 440.39 11.60 o 5 -2 6 89.11 57.99 2.85 o 5 -1 0 3044.07 2717.36 55.89 o 5 -1 1 53.31 31.05 2.84 o 5 -1 2 2190.43 1923.91 20.32 o 5 -1 3 32.36 30.92 2.48 o 5 -1 4 989.42 832.09 8.80 o 5 -1 5 3.11 14.28 2.20 o 5 -1 6 395.18 325.13 4.99 o 5 0 2 498.39 558.47 7.58 o 5 0 3 966.87 847.70 9.62 o 5 0 4 275.91 325.59 4.44 o 5 0 5 432.73 423.02 6.41 o 5 1 0 139.88 108.71 3.20 o 5 1 1 1208.84 1146.76 24.15 o 5 1 2 135.92 98.28 3.27 o 5 1 3 750.71 750.66 16.69 o 5 1 4 98.08 82.64 2.98 o 5 1 5 351.19 306.61 5.42 o 5 2 0 1544.20 1484.67 30.90 o 5 2 1 12.98 30.37 2.37 o 5 2 2 1168.48 1050.15 16.22 o 5 2 3 7.26 13.23 1.38 o 5 2 4 593.66 529.02 13.22 o 5 2 5 0.33 0.27 2.66 < 5 3 1 505.82 523.08 12.18 o 5 3 2 242.01 244.71 7.04 o 5 3 3 345.45 305.18 8.54 o 5 3 4 147.27 167.62 7.65 o 5 4 2 102.74 163.27 7.54 o 5 4 3 319.84 369.71 11.74 o 5 4 4 71.99 88.52 7.32 o 5 5 3 1.78 18.91 7.38 < 6 -9 2 471.80 623.28 15.00 o 6 -9 3 11.43 20.30 5.01 o 6 -9 4 271.36 301.39 11.51 o 6 -8 0 184.96 222.94 5.37 o 6 -8 1 587.96 667.93 14.84 o 6 -8 2 163.35 224.46 6.95 o 6 -8 3 393.73 489.41 8.28 o 6 -8 4 106.46 128.49 4.36 o 6 -7 0 248.16 222.51 5.93 o 6 -7 2 216.85 261.32 4.99 o 6 -7 3 471.61 486.10 8.09 o 6 -7 4 135.94 95.94 3.32 o 6 -7 5 243.52 185.58 8.59 o 6 -6 1 57.96 43.39 7.22 o 6 -6 2 1017.04 1070.21 23.69 o 6 -6 3 31.74 44.06 5.63 o 6 -6 4 520.88 522.50 9.50 o 6 -6 5 5.48 10.40 2.28 o 6 -5 2 130.39 93.11 3.41 o 6 -5 3 753.41 651.33 11.46 o 6 -5 4 98.45 83.07 2.87 o 6 -5 5 351.33 315.52 6.35 o 6 -4 0 347.80 357.44 8.01 o 6 -4 1 1337.35 1235.91 25.75 o 6 -4 2 302.81 355.99 6.32 o 6 -4 3 817.89 637.48 10.87 o 6 -4 4 181.28 226.85 4.46 o 6 -4 5 376.85 423.79 6.70 o 6 -3 1 52.97 51.07 2.77 o 6 -3 2 1431.90 1318.75 19.58 o 6 -3 3 31.92 39.96 2.31 o 6 -3 4 696.27 720.49 9.44 o 6 -3 5 4.17 5.97 1.63 o 6 -2 0 176.02 134.40 2.56 o 6 -2 1 1392.92 1249.51 26.31 o 6 -2 2 172.20 213.27 3.33 o 6 -2 3 840.53 881.73 10.26 o 6 -2 4 121.14 97.84 2.51 o 6 -2 5 382.14 395.35 6.18 o 6 -1 0 448.57 445.93 10.07 o 6 -1 1 1556.18 1411.80 21.52 o 6 -1 2 374.18 432.36 8.21 o 6 -1 3 932.71 1028.64 11.88 o 6 -1 4 212.85 254.99 4.86 o 6 -1 5 420.99 421.52 6.13 o 6 0 1 50.79 0.18 1.83 < 6 0 2 1025.75 779.74 17.90 o 6 0 3 28.35 9.88 1.76 o 6 0 4 527.06 488.42 7.45 o 6 0 5 4.92 11.40 2.75 o 6 1 2 241.84 106.99 4.08 o 6 1 3 639.35 641.49 14.29 o 6 1 4 149.89 158.98 6.15 o 6 1 5 308.70 224.54 6.96 o 6 2 0 242.02 282.14 7.00 o 6 2 1 748.79 774.02 17.14 o 6 2 3 495.82 523.43 11.67 o 6 2 4 131.78 0.32 2.43 < 6 3 1 6.23 11.08 2.92 o 6 3 2 510.63 358.53 9.24 o 6 3 3 2.83 4.49 3.32 < 6 4 2 123.33 193.04 7.62 o 6 4 3 311.90 311.38 10.76 o 7 -10 2 83.07 136.80 6.10 o 7 -10 3 246.87 341.40 10.88 o 7 -9 1 404.96 500.12 11.58 o 7 -9 2 120.57 185.01 6.49 o 7 -9 3 283.60 357.57 9.85 o 7 -8 0 1130.11 1221.66 25.63 o 7 -8 1 1.04 3.14 1.65 < 7 -8 2 880.83 889.85 13.60 o 7 -8 3 0.11 8.81 2.28 o 7 -8 4 473.86 487.27 8.50 o 7 -7 2 208.42 280.82 8.07 o 7 -7 3 381.48 407.63 10.21 o 7 -7 4 130.83 132.94 5.54 o 7 -6 3 642.16 749.01 17.29 o 7 -6 4 145.88 107.62 3.06 o 7 -6 5 312.32 254.25 5.67 o 7 -5 0 1545.16 1595.45 33.23 o 7 -5 1 15.60 30.58 3.04 o 7 -5 2 1168.87 1052.90 15.97 o 7 -5 3 8.46 13.06 2.62 o 7 -5 4 593.27 640.30 10.73 o 7 -5 5 0.50 3.67 1.82 < 7 -4 1 678.54 611.16 13.68 o 7 -4 2 379.31 497.78 12.28 o 7 -4 3 451.94 522.27 12.83 o 7 -4 4 214.98 205.01 5.02 o 7 -4 5 233.83 248.10 5.63 o 7 -3 0 390.00 385.23 8.67 o 7 -3 1 1025.42 1418.42 30.34 o 7 -3 2 330.37 452.32 6.72 o 7 -3 3 655.52 791.87 9.21 o 7 -3 4 194.75 220.16 3.94 o 7 -3 5 321.01 318.87 6.54 o 7 -2 0 1181.50 1281.47 19.19 o 7 -2 1 58.23 49.02 2.35 o 7 -2 2 904.25 818.73 13.29 o 7 -2 3 31.09 38.17 2.64 o 7 -2 4 472.06 533.41 7.09 o 7 -2 5 5.80 8.86 2.34 o 7 -1 0 247.49 147.90 4.80 o 7 -1 1 710.12 616.14 14.00 o 7 -1 2 217.35 220.91 5.35 o 7 -1 3 467.86 475.46 8.99 o 7 -1 4 136.89 114.30 4.59 o 7 -1 5 239.21 211.92 7.65 o 7 0 2 206.12 126.52 5.07 o 7 0 3 383.39 333.67 9.21 o 7 0 4 129.43 117.79 4.44 o 7 1 3 12.05 1.40 1.64 < 7 3 2 81.45 12.30 2.63 o 8 -10 1 6.93 16.87 2.61 o 8 -10 2 295.51 293.00 8.44 o 8 -9 0 125.42 134.54 4.02 o 8 -9 1 332.97 351.09 8.37 o 8 -9 2 111.39 142.34 5.00 o 8 -9 3 236.12 221.21 6.74 o 8 -8 2 142.30 32.90 3.57 o 8 -8 3 270.39 174.16 6.52 o 8 -8 4 93.95 68.33 4.54 o 8 -7 3 10.60 19.48 3.54 o 8 -7 4 332.13 236.92 6.63 o 8 -6 0 246.94 288.29 7.11 o 8 -6 1 747.12 793.31 17.18 o 8 -6 2 213.81 247.20 4.46 o 8 -6 3 490.58 500.21 8.15 o 8 -6 4 135.18 142.76 5.51 o 8 -5 1 504.26 555.16 12.35 o 8 -5 2 241.02 323.67 8.45 o 8 -5 3 349.64 394.10 10.05 o 8 -5 4 147.01 180.17 6.74 o 8 -4 1 11.59 12.56 2.82 o 8 -4 2 1009.91 1072.25 22.85 o 8 -4 3 5.07 6.18 1.95 o 8 -4 4 524.60 611.87 9.99 o 8 -4 5 0.10 0.40 1.31 < 8 -3 0 230.56 307.87 7.38 o 8 -3 1 811.63 894.88 19.61 o 8 -3 2 202.49 248.47 5.74 o 8 -3 3 528.67 633.61 8.64 o 8 -3 4 130.56 96.33 3.07 o 8 -2 0 186.03 207.89 3.78 o 8 -2 1 586.19 622.54 9.91 o 8 -2 2 163.40 204.77 4.60 o 8 -2 3 396.40 410.21 6.14 o 8 -2 4 105.82 93.42 3.03 o 8 -1 0 1129.99 976.40 20.88 o 8 -1 1 1.01 1.49 1.13 < 8 -1 2 880.73 664.04 11.05 o 8 -1 3 0.10 2.26 1.99 < 8 -1 4 473.81 401.83 9.16 o 8 0 3 269.04 4.05 3.87 < 8 0 4 95.11 12.36 4.84 < 8 1 2 90.84 0.18 1.31 < 9 -10 0 60.62 0.65 1.77 < 9 -9 1 8.10 0.17 1.68 < 9 -6 1 6.18 5.63 2.22 < 9 -6 2 507.46 525.01 12.40 o 9 -6 3 2.83 1.21 4.52 < 9 -6 4 289.74 169.93 6.73 o 9 -5 1 467.26 544.26 11.87 o 9 -5 2 103.65 118.00 4.61 o 9 -5 3 320.61 304.57 8.10 o 9 -5 4 73.22 63.11 4.33 o 9 -4 2 82.09 154.83 6.81 o 9 -4 3 342.89 406.65 10.41 o 9 -4 4 59.26 63.52 3.27 o 9 -3 0 596.02 546.48 11.94 o 9 -3 1 18.43 32.51 3.76 o 9 -3 2 476.43 410.92 11.31 o 9 -3 3 9.95 9.59 3.22 < 9 -3 4 275.21 329.84 10.70 o 9 -2 0 136.79 126.27 3.27 o 9 -2 1 407.36 408.39 6.95 o 9 -2 2 121.00 89.52 2.85 o 9 -2 3 282.47 245.09 6.37 o 9 -1 0 124.37 2.59 2.02 < 9 -1 1 331.01 288.33 7.45 o 9 -1 2 110.28 114.30 5.18 o 9 -1 3 237.33 192.67 5.77 o 9 0 1 6.79 0.27 2.68 < 10 -7 1 304.66 305.29 7.20 o 10 -7 2 82.21 102.38 4.25 o 10 -7 3 217.43 156.18 6.32 o 10 -6 2 118.06 154.90 5.10 o 10 -6 3 316.25 246.85 7.17 o 10 -5 2 376.61 455.93 11.18 o 10 -5 3 2.20 1.13 3.54 < 10 -3 0 86.93 108.78 3.41 o 10 -3 1 346.11 383.72 9.16 o 10 -3 2 79.98 101.43 6.88 o 10 -2 1 8.24 7.05 1.64 o 10 -2 2 291.05 196.18 5.14 o 10 -1 0 62.96 0.14 1.38 < 10 -1 2 59.15 0.29 1.50 < data_Id _database_code_depnum_ccdc_archive 'CCDC 872705' #TrackingRef '- nagdf4_4.60 GPa.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Gd1.5 Na1.5' _chemical_formula_weight 384.3 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 5.918(2) _cell_length_b 5.918(2) _cell_length_c 3.554(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 107.79(13) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.9188 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 166 _exptl_absorpt_coefficient_mu 5.007 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type ? _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.4 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 3693 _diffrn_reflns_theta_min 3.23 _diffrn_reflns_theta_max 22.64 _diffrn_reflns_theta_full 17.75 _diffrn_measured_fraction_theta_max 0.81 _diffrn_measured_fraction_theta_full 0.89 _diffrn_reflns_av_R_equivalents 0.0792 _diffrn_reflns_av_sigmaI/netI 0.0116 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -6 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 455 _reflns_number_gt 446 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0503 _refine_ls_wR_factor_gt 0.0742 _refine_ls_R_factor_all 0.0511 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 5.74 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 455 _refine_ls_number_parameters 15 _refine_ls_number_restraints 0 _refine_ls_number_constraints 2 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0213 _refine_ls_shift/su_mean 0.0098 _refine_diff_density_max 4.98 _refine_diff_density_min -7.00 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 1000(300) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0032 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Gd -0.8267 1.4529 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0088 0.0074 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Gd1 Gd 0 0 0 Uani 0.0111(3) 1 1 d . . . Na1 Na 0.333333 0.666667 0.579(4) Uani 0.014(3) 2 0.5 d . . . Gd2 Gd 0.666667 0.333333 0.5 Uani 0.0040(4) 1 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.0040(4) 1 0.5 d . . . F1 F 0.633(4) 0.051(4) 0 Uiso 0.030(3) 3 1 d . . . F2 F 0.7260(19) 0.7482(15) 0.5 Uiso 0.0117(12) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Gd1 Gd 0.0113(4) 0.0113(4) 0.0107(4) 0.0057(2) 0 0 Na1 Na 0.015(4) 0.015(4) 0.012(4) 0.008(2) 0 0 Gd2 Gd 0.0053(5) 0.0053(5) 0.0015(5) 0.0026(3) 0 0 Na2 Na 0.0053(5) 0.0053(5) 0.0015(5) 0.0026(3) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Gd1 F1 . 1_455 2.34(2) ? Gd1 F1 . 2_545 2.34(3) ? Gd1 F1 . 3_665 2.34(2) ? Gd1 F2 . 1_444 2.365(6) ? Gd1 F2 . 1_445 2.365(6) ? Gd1 F2 . 2_654 2.365(9) ? Gd1 F2 . 2_655 2.365(9) ? Gd1 F2 . 3_564 2.365(9) ? Gd1 F2 . 3_565 2.365(9) ? Na1 F1 . 1_565 2.919(16) ? Na1 F1 . 1_566 2.554(16) ? Na1 F1 . 2_555 2.92(2) ? Na1 F1 . 2_556 2.55(2) ? Na1 F1 . 3_665 2.92(2) ? Na1 F1 . 3_666 2.55(3) ? Na1 F2 . . 2.142(11) ? Na1 F2 . 2_665 2.142(15) ? Na1 F2 . 3_565 2.142(9) ? Gd2 F1 . . 2.377(16) ? Gd2 F1 . 1_556 2.377(16) ? Gd2 F1 . 2_655 2.377(12) ? Gd2 F1 . 2_656 2.377(12) ? Gd2 F1 . 3_665 2.38(2) ? Gd2 F1 . 3_666 2.38(2) ? Gd2 F2 . . 2.300(10) ? Gd2 F2 . 2_655 2.300(8) ? Gd2 F2 . 3_665 2.300(16) ? Na2 F1 . . 2.377(16) ? Na2 F1 . 1_556 2.377(16) ? Na2 F1 . 2_655 2.377(12) ? Na2 F1 . 2_656 2.377(12) ? Na2 F1 . 3_665 2.38(2) ? Na2 F1 . 3_666 2.38(2) ? Na2 F2 . . 2.300(10) ? Na2 F2 . 2_655 2.300(8) ? Na2 F2 . 3_665 2.300(16) ? F1 F1 . 2_655 2.73(3) ? F1 F1 . 3_665 2.73(4) ? F1 F2 . 1_544 2.77(2) ? F1 F2 . 1_545 2.77(2) ? F1 F2 . 2_654 2.728(19) ? F1 F2 . 2_655 2.728(19) ? F1 F2 . 3_664 2.678(16) ? F1 F2 . 3_665 2.678(16) ? F2 F2 . 2_765 2.702(13) ? F2 F2 . 3_675 2.702(12) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 0 1 189.37 125.07 1.06 o 0 0 2 5887.69 5901.51 36.03 o 0 0 3 84.39 51.58 2.03 o 0 0 4 2310.91 2309.26 16.28 o 0 0 5 10.36 16.49 2.36 o 0 0 6 719.82 768.72 7.29 o 1 -1 1 2778.95 3022.43 14.48 o 1 -1 2 1183.92 1364.45 5.60 o 1 -1 3 1665.84 1667.37 6.95 o 1 -1 4 540.06 531.29 2.90 o 1 -1 5 660.89 696.47 3.48 o 1 -1 6 184.70 182.56 2.08 o 1 0 1 2760.05 3102.42 14.19 o 1 0 2 1174.49 1393.26 5.61 o 1 0 3 1671.35 1656.45 6.56 o 1 0 4 533.37 545.36 2.72 o 1 0 5 672.16 692.12 3.69 o 1 0 6 182.87 189.72 2.08 o 1 1 1 705.28 727.80 5.16 o 1 1 2 2858.86 2525.63 12.32 o 1 1 3 207.01 154.90 1.66 o 1 1 4 1231.03 1258.30 5.75 o 1 1 5 40.19 50.50 1.46 o 1 1 6 460.10 500.63 3.32 o 2 -3 0 1595.45 1583.89 23.15 o 2 -3 1 3645.34 3647.11 30.22 o 2 -3 2 1128.12 1285.94 8.36 o 2 -3 3 1882.14 1851.02 10.28 o 2 -3 4 507.71 522.14 3.56 o 2 -3 5 706.53 806.28 4.70 o 2 -3 6 180.70 183.12 2.36 o 2 -2 1 4160.50 4560.20 41.38 o 2 -2 2 932.89 1098.77 5.66 o 2 -2 3 2197.19 2222.91 10.35 o 2 -2 4 445.05 448.53 2.67 o 2 -2 5 791.44 817.26 4.67 o 2 -2 6 160.53 151.19 2.00 o 2 -1 1 762.82 727.02 4.49 o 2 -1 2 2850.88 2533.16 12.05 o 2 -1 3 226.21 168.55 1.70 o 2 -1 4 1221.52 1257.57 5.64 o 2 -1 5 43.73 51.84 1.42 o 2 -1 6 453.71 517.39 3.37 o 2 0 1 4168.09 4341.50 31.52 o 2 0 2 941.38 1087.29 5.46 o 2 0 3 2189.28 2290.44 10.65 o 2 0 4 454.21 452.32 2.63 o 2 0 5 781.45 850.49 4.48 o 2 0 6 164.87 159.66 2.14 o 2 1 1 2966.84 2796.37 25.64 o 2 1 2 289.33 303.64 2.68 o 2 1 3 1602.36 1524.03 8.32 o 2 1 4 222.02 218.18 2.14 o 2 1 5 631.19 697.26 4.25 o 2 1 6 97.69 101.32 1.92 o 2 2 1 141.22 82.85 2.69 o 2 2 2 2277.75 2045.68 17.46 o 2 2 3 87.20 57.99 1.85 o 2 2 4 1000.20 1031.31 6.89 o 2 2 5 18.31 26.45 1.80 o 2 2 6 385.63 373.06 3.49 o 3 -5 1 1838.15 1975.03 23.75 o 3 -5 2 331.44 390.98 4.40 o 3 -5 3 1056.53 1140.52 8.99 o 3 -5 4 209.54 220.47 3.21 o 3 -5 5 453.14 454.75 4.23 o 3 -5 6 91.49 71.16 2.96 o 3 -4 0 1164.48 1168.28 14.03 o 3 -4 1 1481.68 1462.10 13.72 o 3 -4 2 874.74 1016.42 7.94 o 3 -4 3 938.72 937.66 6.19 o 3 -4 4 423.21 423.95 3.77 o 3 -4 5 436.86 423.92 3.49 o 3 -4 6 154.84 130.51 2.43 o 3 -3 1 100.97 50.38 2.04 o 3 -3 2 3590.04 3469.83 23.82 o 3 -3 3 63.04 40.89 1.55 o 3 -3 4 1424.29 1477.59 7.74 o 3 -3 5 9.70 17.34 1.43 o 3 -3 6 504.19 538.72 3.95 o 3 -2 1 2986.98 2987.89 24.87 o 3 -2 2 267.63 293.39 2.35 o 3 -2 3 1605.32 1585.82 8.18 o 3 -2 4 221.25 212.02 2.21 o 3 -2 5 629.16 685.39 4.03 o 3 -2 6 99.38 92.06 1.78 o 3 -1 0 1568.19 1345.69 19.71 o 3 -1 1 3642.17 3515.05 25.24 o 3 -1 2 1104.58 1299.08 7.47 o 3 -1 3 1895.73 1775.76 9.56 o 3 -1 4 494.86 564.20 3.60 o 3 -1 5 719.84 803.15 4.85 o 3 -1 6 175.90 177.23 2.22 o 3 0 1 94.11 102.11 2.21 o 3 0 2 3589.60 3382.06 23.26 o 3 0 3 60.68 47.96 1.48 o 3 0 4 1424.95 1439.83 7.75 o 3 0 5 9.25 15.51 1.39 o 3 0 6 504.89 506.83 4.03 o 3 1 0 599.55 502.62 10.81 o 3 1 1 2114.31 1989.33 18.45 o 3 1 2 516.41 538.32 4.76 o 3 1 3 1200.57 1240.28 8.68 o 3 1 4 299.12 322.96 3.16 o 3 1 5 504.86 534.70 4.06 o 3 1 6 120.49 109.11 2.13 o 3 2 0 925.95 925.86 13.88 o 3 2 1 2829.97 2756.23 32.73 o 3 2 2 705.36 830.91 9.19 o 3 2 3 1521.92 1754.58 14.50 o 3 2 4 352.52 416.99 4.69 o 3 2 5 610.79 623.46 5.72 o 3 2 6 139.97 112.97 3.20 o 3 3 1 62.96 22.88 1.77 o 3 3 2 1446.95 1540.11 19.69 o 3 3 3 38.68 28.67 2.47 o 3 3 4 691.11 794.55 8.64 o 3 3 5 7.01 12.44 2.33 o 4 -7 2 347.67 479.04 7.38 o 4 -7 3 640.65 789.41 10.94 o 4 -7 4 199.57 241.32 3.85 o 4 -7 5 303.48 315.00 5.22 o 4 -6 1 1372.01 1401.71 29.39 o 4 -6 2 184.11 239.75 3.19 o 4 -6 3 833.25 912.39 7.77 o 4 -6 4 128.93 139.66 3.62 o 4 -6 5 378.27 418.43 5.48 o 4 -5 0 3096.49 2919.05 34.56 o 4 -5 1 55.20 18.86 1.78 o 4 -5 2 2202.57 2270.19 17.01 o 4 -5 3 34.33 23.27 1.90 o 4 -5 4 972.18 1032.12 7.84 o 4 -5 5 4.43 9.53 1.76 o 4 -5 6 377.52 350.00 4.21 o 4 -4 1 1218.42 1122.95 13.80 o 4 -4 2 839.46 882.22 8.89 o 4 -4 3 786.04 835.13 6.60 o 4 -4 4 408.44 474.72 4.38 o 4 -4 5 371.27 380.99 3.89 o 4 -4 6 149.22 133.05 3.01 o 4 -3 1 2103.76 2084.07 24.84 o 4 -3 2 518.81 566.83 4.61 o 4 -3 3 1205.83 1250.59 7.91 o 4 -3 4 296.76 335.43 3.02 o 4 -3 5 512.11 564.07 4.07 o 4 -3 6 119.22 122.62 2.50 o 4 -2 0 3182.07 2995.32 62.62 o 4 -2 1 131.38 73.85 1.52 o 4 -2 2 2279.67 2017.62 13.38 o 4 -2 3 83.56 50.67 1.47 o 4 -2 4 1002.44 1009.35 6.05 o 4 -2 5 17.58 23.53 1.59 o 4 -2 6 387.21 378.40 3.62 o 4 -1 0 1181.13 1054.71 21.87 o 4 -1 1 1505.92 1473.10 12.66 o 4 -1 2 887.30 972.96 7.66 o 4 -1 3 935.34 901.78 6.49 o 4 -1 4 428.33 399.70 3.20 o 4 -1 5 427.18 444.00 3.62 o 4 -1 6 155.31 138.06 2.19 o 4 0 1 1201.06 914.27 19.75 o 4 0 2 833.43 845.10 8.00 o 4 0 3 791.63 778.30 5.80 o 4 0 4 406.37 457.03 4.22 o 4 0 5 381.52 396.41 3.82 o 4 0 6 150.04 136.04 2.71 o 4 1 0 2466.57 2455.05 50.82 o 4 1 1 55.78 18.05 2.92 o 4 1 2 1789.63 1625.70 14.01 o 4 1 3 39.92 25.04 1.78 o 4 1 4 825.55 830.43 7.46 o 4 1 5 7.12 8.81 2.10 o 4 1 6 333.68 271.31 4.67 o 4 2 0 331.86 356.64 5.66 o 4 2 1 1351.87 1351.29 16.43 o 4 2 2 295.99 344.51 3.95 o 4 2 3 819.12 782.59 10.43 o 4 2 4 185.06 205.32 4.66 o 4 2 5 372.80 393.64 6.79 o 4 3 1 695.83 662.24 10.40 o 4 3 2 373.30 406.20 7.28 o 4 3 3 469.25 450.51 8.27 o 4 3 4 211.99 210.07 5.40 o 4 3 5 244.14 226.47 6.69 o 4 4 2 1006.35 1077.12 16.63 o 4 4 3 2.68 2.20 3.59 < 4 4 4 520.24 535.27 9.87 o 5 -9 3 343.04 259.70 8.34 o 5 -9 4 67.15 67.80 6.44 o 5 -8 3 521.11 772.83 13.71 o 5 -8 4 126.87 183.83 4.12 o 5 -7 1 57.92 72.78 3.52 o 5 -7 2 926.95 1006.10 12.98 o 5 -7 3 32.51 57.19 2.90 o 5 -7 4 478.52 568.62 6.75 o 5 -7 5 6.79 11.59 2.27 o 5 -6 0 439.12 459.61 5.82 o 5 -6 1 1530.11 1501.92 18.14 o 5 -6 2 371.07 449.91 4.46 o 5 -6 3 910.93 1079.63 10.11 o 5 -6 4 218.90 284.86 4.17 o 5 -6 5 407.40 409.75 5.03 o 5 -5 1 1647.94 1699.96 20.50 o 5 -5 2 502.92 623.89 8.40 o 5 -5 3 967.89 969.02 8.92 o 5 -5 4 269.60 348.97 3.91 o 5 -5 5 427.34 472.31 4.69 o 5 -4 2 1787.53 1567.64 13.49 o 5 -4 3 38.90 19.88 1.79 o 5 -4 4 825.06 842.66 7.40 o 5 -4 5 6.93 14.51 1.93 o 5 -4 6 333.77 285.72 4.43 o 5 -3 0 946.82 995.03 14.83 o 5 -3 1 2824.63 2809.06 28.88 o 5 -3 2 723.91 828.41 7.40 o 5 -3 3 1508.07 1599.20 12.07 o 5 -3 4 364.21 383.78 3.36 o 5 -3 5 599.20 661.28 5.05 o 5 -3 6 145.19 113.61 2.62 o 5 -2 0 369.73 336.75 7.60 o 5 -2 1 1815.26 1787.21 16.66 o 5 -2 2 334.25 394.17 3.37 o 5 -2 3 1052.04 1097.29 8.68 o 5 -2 4 207.59 233.07 3.12 o 5 -2 5 454.98 393.08 4.18 o 5 -2 6 89.93 56.22 1.90 o 5 -1 0 3093.84 2736.82 39.79 o 5 -1 1 59.96 34.76 2.64 o 5 -1 2 2199.91 2111.76 15.66 o 5 -1 3 36.34 17.93 1.50 o 5 -1 4 970.02 998.64 6.97 o 5 -1 5 4.85 5.21 1.31 o 5 -1 6 376.17 353.18 4.00 o 5 0 1 1652.64 1315.88 27.99 o 5 0 2 509.72 632.34 7.58 o 5 0 3 961.52 924.94 8.58 o 5 0 4 274.59 326.08 3.51 o 5 0 5 419.60 420.60 4.19 o 5 1 0 156.27 124.74 3.56 o 5 1 1 1233.26 1131.01 23.84 o 5 1 2 148.79 166.31 2.79 o 5 1 3 755.58 627.58 7.72 o 5 1 4 105.26 105.26 2.74 o 5 1 5 347.19 319.08 4.84 o 5 2 0 1547.67 1521.51 22.60 o 5 2 1 32.88 59.32 2.54 o 5 2 2 1163.71 1073.33 13.44 o 5 2 3 17.86 16.77 2.14 o 5 2 4 577.24 566.98 8.10 o 5 2 5 1.85 6.64 1.97 o 5 3 1 527.60 527.71 8.45 o 5 3 2 239.85 283.81 5.66 o 5 3 3 356.62 349.97 6.86 o 5 3 4 144.47 162.25 5.43 o 5 4 2 111.44 140.29 3.68 o 5 4 3 319.21 303.40 6.23 o 5 4 4 75.36 59.62 5.40 o 5 5 3 4.41 14.99 4.50 o 6 -9 2 478.38 641.55 16.12 o 6 -9 3 14.52 19.23 5.18 o 6 -8 1 610.63 634.20 14.06 o 6 -8 2 159.28 227.91 6.93 o 6 -8 3 405.89 428.99 6.03 o 6 -8 4 104.18 120.70 3.19 o 6 -7 0 250.63 240.09 3.41 o 6 -7 1 731.11 709.05 9.10 o 6 -7 2 216.05 250.97 2.82 o 6 -7 3 479.64 467.54 5.16 o 6 -7 4 133.39 135.68 3.58 o 6 -7 5 242.90 205.81 4.42 o 6 -6 1 58.68 41.45 1.99 o 6 -6 2 1033.75 939.97 12.06 o 6 -6 3 32.83 37.68 2.66 o 6 -6 4 522.90 514.88 5.45 o 6 -6 5 6.16 16.28 2.17 o 6 -5 2 143.34 140.13 2.98 o 6 -5 3 762.59 706.90 6.79 o 6 -5 4 105.62 105.57 2.45 o 6 -5 5 348.91 331.14 4.56 o 6 -4 0 330.64 339.60 7.61 o 6 -4 1 1343.05 1251.68 13.22 o 6 -4 2 292.72 380.76 3.80 o 6 -4 3 820.75 794.70 8.16 o 6 -4 4 181.39 210.43 3.16 o 6 -4 5 376.88 375.57 3.93 o 6 -3 1 57.21 37.38 1.41 o 6 -3 2 1455.23 1377.77 13.12 o 6 -3 3 36.03 28.49 1.74 o 6 -3 4 696.37 723.36 6.84 o 6 -3 5 6.43 5.92 1.15 o 6 -2 0 182.56 161.74 4.56 o 6 -2 1 1383.39 1295.20 15.78 o 6 -2 2 180.33 205.94 2.33 o 6 -2 3 835.04 900.25 7.89 o 6 -2 4 130.31 142.87 2.76 o 6 -2 5 377.20 405.00 4.54 o 6 -1 0 428.15 432.95 6.88 o 6 -1 1 1534.19 1384.94 17.46 o 6 -1 2 360.56 327.41 4.63 o 6 -1 3 920.35 1026.37 8.92 o 6 -1 4 211.51 265.36 3.26 o 6 -1 5 415.37 427.90 4.41 o 6 0 2 1037.18 936.84 14.90 o 6 0 3 29.57 37.06 3.00 o 6 0 4 526.50 480.86 5.75 o 6 0 5 5.54 9.88 2.02 o 6 1 2 241.44 222.33 6.06 o 6 1 3 628.70 600.11 9.79 o 6 1 4 151.81 152.23 4.05 o 6 1 5 302.14 172.15 3.95 o 6 2 0 235.32 181.57 3.75 o 6 2 1 747.57 802.07 12.53 o 6 2 2 202.27 235.26 3.45 o 6 2 3 492.72 508.92 8.72 o 6 2 4 127.86 78.13 4.17 o 6 3 1 10.57 8.52 1.47 o 6 3 2 512.50 449.11 7.86 o 6 3 3 5.47 4.73 2.59 < 6 3 4 288.96 260.29 7.39 o 6 4 2 119.44 131.72 5.04 o 6 4 3 301.05 238.99 6.33 o 7 -9 1 416.40 473.00 10.91 o 7 -9 2 118.77 161.77 6.47 o 7 -9 3 292.20 334.17 9.53 o 7 -8 0 1104.49 1089.04 16.18 o 7 -8 1 2.92 5.21 1.62 o 7 -8 2 858.60 881.77 8.60 o 7 -8 3 0.78 3.48 1.53 < 7 -8 4 455.49 437.57 6.47 o 7 -7 1 572.78 514.88 11.48 o 7 -7 2 217.75 267.41 4.51 o 7 -7 3 382.39 412.34 6.20 o 7 -7 4 133.40 147.74 3.78 o 7 -6 2 234.64 193.44 5.32 o 7 -6 3 634.54 641.28 8.51 o 7 -6 4 146.70 159.14 2.69 o 7 -6 5 307.62 231.23 3.83 o 7 -5 0 1542.02 1694.25 35.29 o 7 -5 1 35.49 59.94 2.12 o 7 -5 2 1158.84 1083.39 10.38 o 7 -5 3 19.14 15.82 1.30 o 7 -5 4 573.99 623.13 7.52 o 7 -5 5 2.11 5.26 1.43 o 7 -4 0 454.67 451.80 9.71 o 7 -4 1 700.40 680.63 8.57 o 7 -4 2 375.72 438.15 5.26 o 7 -4 3 464.52 526.95 5.73 o 7 -4 4 212.78 254.41 3.34 o 7 -4 5 237.27 242.63 4.38 o 7 -3 0 416.07 411.54 9.19 o 7 -3 1 1026.98 1177.38 14.48 o 7 -3 2 343.77 425.97 5.45 o 7 -3 3 646.65 766.13 7.27 o 7 -3 4 196.63 219.84 2.89 o 7 -3 5 310.14 289.12 4.12 o 7 -2 1 65.51 66.24 2.29 o 7 -2 2 918.54 867.15 8.68 o 7 -2 3 36.15 42.56 1.80 o 7 -2 4 472.07 522.97 5.19 o 7 -2 5 7.48 7.61 1.41 o 7 -1 0 250.68 192.23 3.61 o 7 -1 1 740.75 697.05 11.59 o 7 -1 2 217.01 224.07 3.43 o 7 -1 3 480.76 448.68 5.94 o 7 -1 4 134.59 130.82 3.63 o 7 -1 5 240.53 166.55 4.78 o 7 0 2 218.10 197.85 4.77 o 7 0 3 385.17 367.42 7.31 o 7 0 4 133.38 140.13 4.55 o 7 1 3 9.80 1.45 1.18 < 7 2 2 60.73 61.90 2.48 o 7 3 1 306.51 272.16 6.87 o 7 3 2 86.17 60.85 3.52 o 8 -10 1 8.08 14.22 3.61 o 8 -10 2 301.35 290.68 8.12 o 8 -9 0 130.70 129.24 2.65 o 8 -9 1 335.48 328.27 5.84 o 8 -9 2 115.25 112.33 2.85 o 8 -9 3 237.74 216.45 5.23 o 8 -8 3 269.21 171.48 3.82 o 8 -8 4 98.39 112.35 3.84 o 8 -7 3 8.37 17.70 2.86 o 8 -7 4 336.53 254.43 4.75 o 8 -6 0 242.37 275.11 6.77 o 8 -6 1 746.68 836.45 18.36 o 8 -6 2 208.82 259.57 3.37 o 8 -6 3 487.97 506.35 6.02 o 8 -6 4 132.36 129.54 3.77 o 8 -5 0 282.47 316.66 7.01 o 8 -5 1 523.79 597.44 7.71 o 8 -5 2 239.07 313.27 4.07 o 8 -5 3 359.30 348.54 4.57 o 8 -5 4 144.26 168.21 3.15 o 8 -4 1 5.13 10.28 1.23 o 8 -4 2 1006.09 1022.59 12.78 o 8 -4 3 2.35 8.48 1.71 o 8 -4 4 520.33 577.26 7.01 o 8 -3 0 238.73 309.00 7.09 o 8 -3 1 801.88 944.58 20.68 o 8 -3 2 206.02 298.98 6.16 o 8 -3 3 517.12 610.99 6.61 o 8 -3 4 130.33 137.24 2.78 o 8 -2 0 179.10 172.49 5.03 o 8 -2 1 603.88 574.37 7.67 o 8 -2 2 157.03 216.45 4.33 o 8 -2 3 405.21 365.20 4.48 o 8 -2 4 102.22 102.27 3.20 o 8 -1 0 1104.64 934.70 14.13 o 8 -1 1 2.89 30.27 3.70 o 8 -1 2 858.73 812.29 9.07 o 8 -1 3 0.77 11.17 2.06 o 8 -1 4 455.58 390.17 7.06 o 8 0 4 98.18 21.69 3.99 o 9 -9 1 7.45 0.19 1.36 < 9 -7 2 61.28 88.60 2.54 o 9 -7 3 294.88 221.37 3.71 o 9 -6 0 648.02 613.27 13.03 o 9 -6 1 10.27 11.37 1.59 o 9 -6 2 515.96 483.99 6.61 o 9 -6 3 5.30 8.47 1.77 o 9 -6 4 290.99 249.79 5.95 o 9 -5 1 470.73 488.99 7.69 o 9 -5 2 111.02 139.61 2.88 o 9 -5 3 320.02 310.38 4.96 o 9 -5 4 75.85 68.50 2.79 o 9 -4 2 91.95 145.33 4.31 o 9 -4 3 342.47 395.23 5.07 o 9 -4 4 65.85 62.61 2.36 o 9 -3 0 609.08 612.02 13.19 o 9 -3 1 23.09 26.92 2.98 o 9 -3 2 486.65 493.58 8.47 o 9 -3 3 12.83 8.73 3.78 < 9 -3 4 277.10 294.68 8.54 o 9 -2 1 416.91 431.94 6.02 o 9 -2 2 121.52 136.08 3.63 o 9 -2 3 289.83 284.73 5.87 o 9 -1 0 129.40 77.14 2.63 o 9 -1 1 336.70 298.92 5.56 o 9 -1 2 113.90 114.01 3.62 o 9 -1 3 241.10 188.84 4.53 o 9 0 1 6.09 2.15 1.73 < 10 -7 0 97.54 109.32 2.91 o 10 -7 1 306.12 309.86 4.35 o 10 -7 2 87.67 102.49 3.22 o 10 -6 1 436.39 448.66 9.69 o 10 -6 2 114.45 136.65 2.70 o 10 -6 3 305.15 242.37 4.45 o 10 -5 2 375.84 351.26 6.37 o 10 -5 3 5.04 7.97 2.19 o 10 -3 0 89.58 111.26 3.19 o 10 -3 1 339.43 377.67 9.36 o 10 -3 2 79.90 89.78 5.47 o 10 -2 1 9.57 4.14 1.71 < 10 -2 2 296.14 208.81 5.54 o 11 -7 1 0.61 0.36 1.19 < data_Ie _database_code_depnum_ccdc_archive 'CCDC 872706' #TrackingRef '- nagdf4_6.16 GPa.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Gd1.5 Na1.5' _chemical_formula_weight 384.3 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 5.882(4) _cell_length_b 5.882(4) _cell_length_c 3.537(6) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 106.0(2) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 6.0203 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 166 _exptl_absorpt_coefficient_mu 5.093 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type ? _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.4 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 2686 _diffrn_reflns_theta_min 3.24 _diffrn_reflns_theta_max 22.83 _diffrn_reflns_theta_full 17.24 _diffrn_measured_fraction_theta_max 0.75 _diffrn_measured_fraction_theta_full 0.82 _diffrn_reflns_av_R_equivalents 0.0806 _diffrn_reflns_av_sigmaI/netI 0.0128 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -6 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 424 _reflns_number_gt 409 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0533 _refine_ls_wR_factor_gt 0.0765 _refine_ls_R_factor_all 0.0551 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 5.81 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 424 _refine_ls_number_parameters 15 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0287 _refine_ls_shift/su_mean 0.0098 _refine_diff_density_max 4.19 _refine_diff_density_min -6.55 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 1100(300) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0032 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Gd -0.8267 1.4529 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0088 0.0074 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Gd1 Gd 0 0 0 Uani 0.0121(3) 1 1 d . . . Na1 Na 0.333333 0.666667 0.581(5) Uani 0.020(4) 2 0.5 d . . . Gd2 Gd 0.666667 0.333333 0.5 Uani 0.0031(4) 1 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.0031(4) 1 0.5 d . . . F1 F 0.636(6) 0.056(5) 0 Uiso 0.042(4) 3 1 d . . . F2 F 0.7257(18) 0.7506(15) 0.5 Uiso 0.0076(10) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Gd1 Gd 0.0129(5) 0.0129(5) 0.0104(5) 0.0065(2) 0 0 Na1 Na 0.025(6) 0.025(6) 0.011(4) 0.012(3) 0 0 Gd2 Gd 0.0036(5) 0.0036(5) 0.0020(5) 0.0018(3) 0 0 Na2 Na 0.0036(5) 0.0036(5) 0.0020(5) 0.0018(3) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Gd1 F1 . 1_455 2.32(4) ? Gd1 F1 . 2_545 2.32(5) ? Gd1 F1 . 3_665 2.32(3) ? Gd1 F2 . 1_444 2.349(7) ? Gd1 F2 . 1_445 2.349(7) ? Gd1 F2 . 2_654 2.349(9) ? Gd1 F2 . 2_655 2.349(9) ? Gd1 F2 . 3_564 2.349(9) ? Gd1 F2 . 3_565 2.349(9) ? Na1 F1 . 1_565 2.92(2) ? Na1 F1 . 1_566 2.56(2) ? Na1 F1 . 2_555 2.92(3) ? Na1 F1 . 2_556 2.56(3) ? Na1 F1 . 3_665 2.92(3) ? Na1 F1 . 3_666 2.56(4) ? Na1 F2 . . 2.124(11) ? Na1 F2 . 2_665 2.124(15) ? Na1 F2 . 3_565 2.124(9) ? Gd2 F1 . . 2.35(2) ? Gd2 F1 . 1_556 2.35(2) ? Gd2 F1 . 2_655 2.351(18) ? Gd2 F1 . 2_656 2.351(18) ? Gd2 F1 . 3_665 2.35(3) ? Gd2 F1 . 3_666 2.35(3) ? Gd2 F2 . . 2.301(10) ? Gd2 F2 . 2_655 2.301(9) ? Gd2 F2 . 3_665 2.301(15) ? Na2 F1 . . 2.35(2) ? Na2 F1 . 1_556 2.35(2) ? Na2 F1 . 2_655 2.351(18) ? Na2 F1 . 2_656 2.351(18) ? Na2 F1 . 3_665 2.35(3) ? Na2 F1 . 3_666 2.35(3) ? Na2 F2 . . 2.301(10) ? Na2 F2 . 2_655 2.301(9) ? Na2 F2 . 3_665 2.301(15) ? F1 F1 . 2_655 2.68(5) ? F1 F1 . 3_665 2.68(6) ? F1 F2 . 1_544 2.75(3) ? F1 F2 . 1_545 2.75(3) ? F1 F2 . 2_654 2.73(3) ? F1 F2 . 2_655 2.73(3) ? F1 F2 . 3_664 2.66(2) ? F1 F2 . 3_665 2.66(2) ? F2 F2 . 2_765 2.677(13) ? F2 F2 . 3_675 2.677(12) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 0 1 176.00 97.54 1.46 o 0 0 2 5414.35 5558.38 39.72 o 0 0 3 63.34 44.35 2.15 o 0 0 4 2221.15 2207.95 16.53 o 0 0 5 5.91 24.86 2.46 o 0 0 6 709.40 825.40 7.86 o 1 -1 1 2623.02 2779.93 16.28 o 1 -1 2 1187.34 1297.09 6.01 o 1 -1 3 1638.68 1627.17 7.69 o 1 -1 4 546.35 534.87 3.09 o 1 -1 5 645.94 675.19 3.95 o 1 -1 6 183.59 185.89 2.12 o 1 0 1 2605.59 2819.87 15.32 o 1 0 2 1179.09 1366.68 6.36 o 1 0 3 1644.87 1635.98 7.81 o 1 0 4 540.96 548.29 3.03 o 1 0 5 657.68 683.87 4.01 o 1 0 6 182.52 183.07 2.28 o 1 1 1 681.02 711.00 5.72 o 1 1 2 2794.31 2509.84 13.36 o 1 1 3 215.46 154.20 1.69 o 1 1 4 1219.57 1194.63 6.27 o 1 1 5 49.23 51.26 1.54 o 1 1 6 447.64 501.13 3.28 o 2 -3 0 1563.13 1544.73 22.55 o 2 -3 1 3489.80 3469.02 26.60 o 2 -3 2 1101.96 1192.24 9.05 o 2 -3 3 1835.48 1751.40 11.24 o 2 -3 4 495.83 549.50 3.72 o 2 -3 5 693.42 782.85 4.86 o 2 -3 6 178.54 169.96 2.30 o 2 -2 1 3891.71 4225.55 42.75 o 2 -2 2 900.51 1027.53 6.20 o 2 -2 3 2128.78 2124.29 11.28 o 2 -2 4 433.99 444.91 2.90 o 2 -2 5 775.35 809.62 4.60 o 2 -2 6 155.95 161.47 2.08 o 2 -1 1 735.58 668.94 4.77 o 2 -1 2 2781.42 2587.43 13.36 o 2 -1 3 233.63 161.07 1.68 o 2 -1 4 1203.86 1215.46 6.19 o 2 -1 5 52.93 48.71 1.54 o 2 -1 6 437.32 474.44 3.24 o 2 0 1 3896.27 4199.51 49.43 o 2 0 2 912.30 1055.75 6.86 o 2 0 3 2118.93 2187.39 12.36 o 2 0 4 445.45 466.60 3.20 o 2 0 5 764.64 789.85 4.77 o 2 0 6 161.60 151.47 1.94 o 2 1 1 2863.19 2680.19 38.58 o 2 1 2 284.55 302.11 3.11 o 2 1 3 1577.94 1618.12 9.39 o 2 1 4 220.83 227.54 2.34 o 2 1 5 618.77 692.03 4.57 o 2 1 6 90.05 87.46 2.00 o 2 2 1 125.27 76.29 2.35 o 2 2 2 2205.90 2234.25 16.58 o 2 2 3 82.88 67.56 2.05 o 2 2 4 978.43 1006.86 7.01 o 2 2 5 19.47 22.62 1.72 o 2 2 6 372.39 330.75 3.64 o 3 -5 1 1750.73 1972.81 23.68 o 3 -5 2 327.32 382.09 4.33 o 3 -5 3 1022.26 1093.95 9.22 o 3 -5 4 202.60 241.75 3.50 o 3 -5 5 439.83 476.59 4.46 o 3 -5 6 84.91 70.00 3.65 o 3 -4 0 1162.85 1113.25 13.33 o 3 -4 1 1446.36 1357.02 11.60 o 3 -4 2 872.97 935.42 7.79 o 3 -4 3 927.43 853.03 6.15 o 3 -4 4 422.18 412.84 3.61 o 3 -4 5 424.35 429.21 3.71 o 3 -4 6 154.85 129.54 2.70 o 3 -3 1 83.66 92.98 2.22 o 3 -3 2 3389.85 3291.86 21.55 o 3 -3 3 50.76 48.59 1.56 o 3 -3 4 1374.00 1374.33 8.37 o 3 -3 5 7.32 17.55 1.51 o 3 -3 6 493.27 486.51 3.71 o 3 -2 1 2885.42 2850.43 23.73 o 3 -2 2 264.96 280.88 2.46 o 3 -2 3 1587.20 1566.53 9.06 o 3 -2 4 220.31 212.77 2.22 o 3 -2 5 621.84 651.06 4.46 o 3 -2 6 91.54 85.50 1.93 o 3 -1 0 1538.36 1304.43 26.81 o 3 -1 1 3489.47 3373.45 39.58 o 3 -1 2 1079.04 1216.20 10.70 o 3 -1 3 1852.06 1832.09 11.41 o 3 -1 4 482.19 540.22 3.95 o 3 -1 5 708.71 777.13 5.35 o 3 -1 6 172.85 178.38 2.55 o 3 0 1 76.90 39.82 2.18 o 3 0 2 3391.25 3274.46 30.26 o 3 0 3 48.45 33.98 1.53 o 3 0 4 1376.16 1375.89 8.69 o 3 0 5 6.83 16.98 1.50 o 3 0 6 494.82 494.23 4.06 o 3 1 2 519.38 510.73 7.25 o 3 1 3 1187.45 1182.44 11.51 o 3 1 4 295.71 318.73 3.58 o 3 1 5 495.05 511.36 4.24 o 3 1 6 115.45 106.64 2.23 o 3 2 1 2683.26 2488.72 50.78 o 3 2 2 667.80 802.55 12.24 o 3 2 3 1466.80 1610.87 17.14 o 3 2 4 337.62 402.50 4.82 o 3 2 5 605.36 650.98 7.09 o 3 2 6 140.42 93.54 3.36 o 3 3 1 54.90 19.10 2.08 o 3 3 2 1376.12 1142.89 23.99 o 3 3 3 32.32 17.05 1.92 o 3 3 4 668.69 683.10 9.21 o 3 3 5 5.96 5.38 1.53 o 4 -7 2 329.96 413.06 10.19 o 4 -7 3 624.85 826.57 13.98 o 4 -7 4 190.67 255.23 4.27 o 4 -7 5 299.82 296.75 5.34 o 4 -6 1 1333.44 1396.47 20.83 o 4 -6 2 182.40 208.44 2.75 o 4 -6 3 813.08 898.39 7.70 o 4 -6 4 122.21 150.14 3.28 o 4 -6 5 367.99 413.58 5.06 o 4 -5 0 2968.97 2801.56 33.19 o 4 -5 1 35.10 25.07 1.92 o 4 -5 2 2134.98 1925.61 16.37 o 4 -5 3 20.20 15.76 1.27 o 4 -5 4 960.20 978.45 7.05 o 4 -5 5 1.59 9.97 1.68 o 4 -5 6 378.24 348.01 6.96 o 4 -4 1 1181.09 1105.83 13.66 o 4 -4 2 832.16 865.13 8.65 o 4 -4 3 769.84 783.76 5.81 o 4 -4 4 405.02 425.75 3.78 o 4 -4 5 356.28 349.94 3.33 o 4 -4 6 148.89 113.49 2.52 o 4 -3 1 2067.45 2026.01 20.95 o 4 -3 2 520.11 536.24 4.51 o 4 -3 3 1189.77 1163.08 8.06 o 4 -3 4 293.40 297.80 2.94 o 4 -3 5 500.27 503.49 3.86 o 4 -3 6 114.42 110.89 2.20 o 4 -2 0 3039.71 2813.21 57.98 o 4 -2 1 117.53 80.13 1.67 o 4 -2 2 2210.18 2007.58 15.87 o 4 -2 3 80.00 56.50 1.61 o 4 -2 4 982.27 1000.55 6.86 o 4 -2 5 18.83 26.08 1.97 o 4 -2 6 374.85 370.55 3.79 o 4 -1 0 1173.56 1028.81 21.19 o 4 -1 1 1461.84 1437.44 13.46 o 4 -1 2 880.11 965.14 9.74 o 4 -1 3 919.29 868.33 7.97 o 4 -1 4 423.82 370.19 3.53 o 4 -1 5 412.66 425.56 3.91 o 4 -1 6 153.57 121.21 2.37 o 4 0 1 1170.48 887.65 19.00 o 4 0 2 829.29 768.69 12.03 o 4 0 3 779.30 821.09 8.47 o 4 0 4 405.83 445.48 4.92 o 4 0 5 368.34 388.08 4.54 o 4 0 6 151.45 134.83 3.36 o 4 1 2 1732.69 1463.77 21.68 o 4 1 3 36.31 12.44 2.04 o 4 1 4 808.59 797.97 10.52 o 4 1 5 6.44 8.52 1.56 o 4 2 0 317.64 297.77 6.55 o 4 2 1 1309.49 1091.25 22.71 o 4 2 2 280.09 331.12 5.62 o 4 2 3 799.51 768.33 12.16 o 4 2 4 171.73 199.81 4.80 o 4 2 5 364.12 388.98 7.76 o 4 3 1 682.32 560.00 12.17 o 4 3 2 367.55 359.60 9.00 o 4 3 3 460.53 397.74 10.35 o 4 3 4 207.49 198.14 6.65 o 4 3 5 235.03 190.86 7.59 o 4 4 2 967.80 1016.22 21.76 o 4 4 3 0.30 5.45 3.14 < 4 4 4 518.83 443.64 11.70 o 5 -9 3 333.29 277.53 9.65 o 5 -9 4 60.04 63.16 6.81 o 5 -8 3 503.02 755.33 13.52 o 5 -8 4 118.58 163.70 3.39 o 5 -7 1 50.38 61.70 2.74 o 5 -7 2 885.58 925.04 9.10 o 5 -7 3 27.48 42.86 2.30 o 5 -7 4 466.49 557.29 5.85 o 5 -7 5 6.75 7.43 2.18 o 5 -6 0 429.86 452.42 5.77 o 5 -6 1 1454.95 1423.25 17.16 o 5 -6 2 359.11 423.76 4.24 o 5 -6 3 878.10 920.28 8.36 o 5 -6 4 210.99 258.50 3.85 o 5 -6 5 400.95 315.29 3.57 o 5 -5 1 1545.80 1729.79 20.90 o 5 -5 2 478.00 572.41 7.74 o 5 -5 3 924.29 899.94 8.40 o 5 -5 4 257.81 287.20 3.25 o 5 -5 5 415.01 405.51 4.05 o 5 -4 2 1733.48 1420.67 11.03 o 5 -4 3 35.21 20.39 1.60 o 5 -4 4 809.92 815.20 6.76 o 5 -4 5 6.22 7.38 1.61 o 5 -4 6 325.94 305.33 7.56 o 5 -3 0 906.03 1042.72 12.82 o 5 -3 1 2672.78 2668.56 27.47 o 5 -3 2 690.47 816.09 7.31 o 5 -3 3 1449.32 1562.28 12.60 o 5 -3 4 352.37 390.38 3.81 o 5 -3 5 591.61 659.38 5.25 o 5 -3 6 147.66 132.64 3.79 o 5 -2 1 1731.11 1806.14 18.80 o 5 -2 2 329.09 354.53 4.00 o 5 -2 3 1017.23 1125.18 10.24 o 5 -2 4 200.90 222.69 3.67 o 5 -2 5 439.94 426.36 5.04 o 5 -2 6 83.64 67.14 3.39 o 5 -1 0 2965.18 2465.62 50.25 o 5 -1 1 38.95 27.85 3.64 o 5 -1 2 2131.08 2139.23 19.93 o 5 -1 3 21.84 17.33 1.48 o 5 -1 4 957.01 935.22 8.76 o 5 -1 5 1.96 7.94 1.46 o 5 -1 6 376.23 358.00 5.58 o 5 0 2 486.93 536.86 12.29 o 5 0 3 914.96 857.35 13.31 o 5 0 4 263.65 320.28 5.61 o 5 0 5 406.04 466.40 5.84 o 5 1 2 142.46 73.51 2.78 o 5 1 3 738.14 579.88 9.44 o 5 1 4 97.10 100.29 3.40 o 5 1 5 338.61 291.39 6.10 o 5 2 0 1450.36 1438.61 29.93 o 5 2 1 13.97 26.12 2.38 o 5 2 2 1107.11 1017.20 15.24 o 5 2 3 6.36 18.75 1.82 o 5 2 4 566.35 550.81 9.35 o 5 2 5 0.52 8.47 2.99 < 5 3 2 237.42 266.94 7.42 o 5 3 3 334.09 326.15 8.95 o 5 3 4 140.99 136.79 5.45 o 5 4 2 107.83 135.04 4.45 o 5 4 3 303.16 301.35 7.95 o 5 4 4 71.19 62.04 5.93 o 5 5 3 1.84 15.58 5.52 < 6 -9 3 10.57 14.27 3.91 o 6 -8 1 584.86 630.11 9.95 o 6 -8 2 156.91 225.96 5.09 o 6 -8 3 393.40 436.88 4.98 o 6 -8 4 99.88 120.78 2.75 o 6 -7 0 240.44 257.87 3.59 o 6 -7 1 707.62 663.35 8.51 o 6 -7 2 204.76 245.35 2.72 o 6 -7 3 467.15 462.64 5.09 o 6 -7 4 124.50 142.54 2.94 o 6 -7 5 235.29 201.19 4.85 o 6 -6 1 50.45 48.71 2.63 o 6 -6 2 982.12 921.11 11.80 o 6 -6 3 27.25 16.35 1.37 o 6 -6 4 505.18 481.06 5.13 o 6 -6 5 5.57 13.19 2.14 o 6 -5 2 139.29 170.77 3.55 o 6 -5 3 749.70 763.15 6.83 o 6 -5 4 97.89 106.68 2.21 o 6 -5 5 344.42 305.19 3.60 o 6 -4 0 316.56 343.25 5.50 o 6 -4 1 1301.02 1258.79 13.24 o 6 -4 2 277.38 352.76 3.63 o 6 -4 3 799.33 803.24 7.48 o 6 -4 4 168.68 201.22 3.08 o 6 -4 5 366.17 347.60 3.54 o 6 -3 1 49.59 30.97 1.58 o 6 -3 2 1384.77 1417.25 15.07 o 6 -3 3 29.89 48.26 2.13 o 6 -3 4 675.08 778.07 7.65 o 6 -3 5 5.43 9.30 1.68 o 6 -2 1 1349.94 1365.52 20.25 o 6 -2 2 180.70 180.31 2.72 o 6 -2 3 820.54 870.47 8.76 o 6 -2 4 123.90 136.72 2.80 o 6 -2 5 371.17 399.55 5.17 o 6 -1 0 416.74 459.42 10.01 o 6 -1 1 1460.07 1309.58 27.07 o 6 -1 2 347.03 426.83 7.14 o 6 -1 3 887.40 953.96 12.27 o 6 -1 4 202.61 260.56 3.94 o 6 -1 5 408.61 441.58 5.35 o 6 0 2 992.00 799.46 17.57 o 6 0 3 24.61 16.28 2.03 o 6 0 4 513.24 437.22 7.80 o 6 0 5 5.13 9.91 3.11 o 6 1 2 239.58 276.99 6.74 o 6 1 3 618.48 592.55 13.11 o 6 1 4 149.77 83.26 3.03 o 6 2 0 229.05 226.18 5.38 o 6 2 1 707.51 705.87 15.30 o 6 2 2 195.49 235.22 4.25 o 6 2 3 475.63 463.07 7.77 o 6 2 4 124.42 109.75 5.10 o 6 3 1 3.53 3.87 1.46 < 6 3 2 491.27 384.54 9.52 o 6 3 3 1.11 11.07 3.17 o 6 3 4 284.65 202.50 8.13 o 6 4 3 306.23 239.18 8.12 o 7 -9 1 395.12 488.75 11.19 o 7 -9 2 119.92 156.16 4.54 o 7 -9 3 280.61 295.36 6.48 o 7 -8 0 1044.64 1109.43 16.49 o 7 -8 1 1.41 7.39 1.09 o 7 -8 2 828.70 854.43 8.32 o 7 -8 3 2.99 12.68 1.58 o 7 -8 4 461.88 371.10 4.68 o 7 -7 1 548.32 550.48 12.30 o 7 -7 2 201.96 260.34 4.26 o 7 -7 3 368.88 401.16 6.09 o 7 -7 4 123.01 117.24 4.10 o 7 -6 2 230.77 191.91 3.98 o 7 -6 3 624.61 621.62 8.22 o 7 -6 4 143.51 133.11 2.36 o 7 -6 5 309.16 211.78 11.65 o 7 -5 0 1444.34 1654.75 34.37 o 7 -5 1 16.10 58.53 2.89 o 7 -5 2 1101.64 1076.09 10.36 o 7 -5 3 7.38 17.92 1.49 o 7 -5 4 562.30 606.67 6.80 o 7 -5 5 0.67 6.39 1.78 o 7 -4 0 449.00 454.39 9.89 o 7 -4 1 680.17 668.09 8.50 o 7 -4 2 366.83 458.18 5.57 o 7 -4 3 452.46 501.51 6.33 o 7 -4 4 205.86 257.09 4.43 o 7 -4 5 226.88 241.08 4.78 o 7 -3 1 993.45 1063.53 22.41 o 7 -3 2 324.35 411.67 5.91 o 7 -3 3 633.10 770.31 7.96 o 7 -3 4 187.01 235.80 3.73 o 7 -3 5 307.27 308.97 4.62 o 7 -2 1 56.53 60.56 2.80 o 7 -2 2 871.83 807.42 12.45 o 7 -2 3 30.40 44.82 2.24 o 7 -2 4 455.85 529.36 6.00 o 7 -2 5 7.18 11.77 2.08 o 7 -1 0 240.09 175.12 4.33 o 7 -1 1 713.18 616.83 13.94 o 7 -1 2 204.94 188.38 5.85 o 7 -1 3 467.19 412.15 7.47 o 7 -1 4 124.81 106.67 3.41 o 7 0 2 203.03 185.28 5.64 o 7 0 3 372.23 385.97 10.64 o 7 0 4 123.93 65.42 3.36 o 7 1 3 6.00 2.25 1.12 < 8 -10 1 5.72 3.29 3.47 < 8 -10 2 288.75 260.74 7.64 o 8 -9 0 132.21 120.66 2.61 o 8 -9 1 312.02 303.94 5.46 o 8 -9 2 114.91 118.56 3.58 o 8 -9 3 224.38 189.03 5.66 o 8 -8 3 255.78 174.88 3.92 o 8 -7 3 5.19 2.79 1.02 < 8 -7 4 329.05 191.55 4.10 o 8 -6 0 237.08 239.34 4.39 o 8 -6 1 703.07 857.73 13.36 o 8 -6 2 202.65 241.84 3.00 o 8 -6 3 469.34 511.66 5.56 o 8 -6 4 129.24 116.21 2.94 o 8 -5 0 285.88 323.61 7.42 o 8 -5 1 491.18 546.02 7.00 o 8 -5 2 239.13 308.10 3.94 o 8 -5 3 339.72 365.15 4.80 o 8 -5 4 142.92 170.53 3.48 o 8 -4 1 0.20 4.59 1.90 < 8 -4 2 968.83 1006.02 12.61 o 8 -4 3 0.10 3.10 2.41 < 8 -4 4 519.71 539.23 7.71 o 8 -3 3 498.87 632.60 7.62 o 8 -3 4 122.92 141.86 3.28 o 8 -2 1 581.48 586.98 12.83 o 8 -2 2 155.11 196.02 6.19 o 8 -2 3 393.72 356.75 6.37 o 8 -2 4 98.54 91.72 3.58 o 8 -1 0 1044.71 964.63 20.37 o 8 -1 1 1.40 31.43 3.90 o 8 -1 2 828.76 813.59 17.87 o 8 -1 3 2.98 11.70 3.82 o 8 -1 4 461.93 325.29 9.83 o 9 -9 1 4.37 0.14 1.41 < 9 -7 2 52.34 55.60 1.44 o 9 -7 3 285.48 204.46 4.35 o 9 -6 0 610.20 636.91 13.73 o 9 -6 1 3.32 11.74 1.66 o 9 -6 2 493.24 466.77 6.42 o 9 -6 3 1.02 5.06 1.95 < 9 -6 4 285.97 226.09 4.70 o 9 -5 1 442.29 454.56 10.23 o 9 -5 2 107.84 131.83 2.79 o 9 -5 3 304.83 325.63 5.12 o 9 -5 4 71.47 70.13 3.22 o 9 -4 2 84.36 120.18 4.36 o 9 -4 3 329.17 380.24 5.91 o 9 -4 4 58.55 60.76 3.06 o 9 -3 2 463.52 565.60 13.78 o 9 -3 3 9.74 10.33 7.35 < 9 -3 4 271.15 289.34 8.75 o 9 -2 1 393.76 427.62 9.63 o 9 -2 2 121.94 115.17 4.67 o 9 -2 3 277.77 251.90 7.88 o 9 -1 1 315.10 280.94 7.05 o 9 -1 2 114.52 103.60 4.37 o 9 -1 3 228.38 153.01 6.11 o 9 0 1 3.89 0.54 1.79 < 10 -7 0 96.17 110.22 3.25 o 10 -7 1 299.17 313.25 5.38 o 10 -7 2 85.29 87.92 2.39 o 10 -7 3 216.85 81.73 7.31 o 10 -6 1 433.53 487.37 10.71 o 10 -6 2 121.32 129.09 2.77 o 10 -6 3 311.95 261.52 4.70 o 10 -5 2 352.96 422.41 9.70 o 10 -5 3 1.95 9.20 2.50 o 10 -2 1 6.15 5.09 2.85 < 10 -2 2 280.50 208.06 6.94 o 11 -7 1 1.41 3.64 1.85 < data_If _database_code_depnum_ccdc_archive 'CCDC 872707' #TrackingRef '- nagdf4_ambient_pressure.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Gd1.5 Na1.5' _chemical_formula_weight 384.3 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 6.0400(10) _cell_length_b 6.0400(10) _cell_length_c 3.6100(6) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 114.05(3) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.594 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 166 _exptl_absorpt_coefficient_mu 4.664 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type Cylindrical _exptl_absorpt_process_details 'Jana2006 (Petricek, Dusek & Palatinus, 2000)' _exptl_absorpt_correction_T_min 0.6897 _exptl_absorpt_correction_T_max 0.8737 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.3978 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 2981 _diffrn_reflns_theta_min 2.18 _diffrn_reflns_theta_max 25.85 _diffrn_reflns_theta_full 25.85 _diffrn_measured_fraction_theta_max 0.99 _diffrn_measured_fraction_theta_full 0.99 _diffrn_reflns_av_R_equivalents 0.0399 _diffrn_reflns_av_sigmaI/netI 0.0691 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -6 _diffrn_reflns_limit_l_max 7 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 922 _reflns_number_gt 870 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0342 _refine_ls_wR_factor_gt 0.0586 _refine_ls_R_factor_all 0.0364 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 1.58 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 922 _refine_ls_number_parameters 21 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0018 _refine_ls_shift/su_mean 0.0006 _refine_diff_density_max 5.95 _refine_diff_density_min -5.62 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 3300(800) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0031 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Gd -0.8365 1.4387 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0087 0.0073 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Gd1 Gd 0 0 0 Uani 0.01000(12) 1 1 d . . . Na1 Na 0.333333 0.666667 0.581(3) Uani 0.0195(19) 2 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.00470(15) 1 0.5 d . . . Gd2 Gd 0.666667 0.333333 0.5 Uani 0.00470(15) 1 0.5 d . . . F1 F 0.6393(12) 0.0488(13) 0 Uani 0.029(2) 3 1 d . . . F2 F 0.7333(8) 0.7536(8) 0.5 Uani 0.0125(11) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Gd1 Gd 0.00986(14) 0.00986(14) 0.0103(2) 0.00493(7) 0 0 Na1 Na 0.019(2) 0.019(2) 0.020(4) 0.0096(10) 0 0 Na2 Na 0.00463(18) 0.00463(18) 0.0048(3) 0.00231(9) 0 0 Gd2 Gd 0.00463(18) 0.00463(18) 0.0048(3) 0.00231(9) 0 0 F1 F 0.0124(18) 0.016(2) 0.060(6) 0.0071(14) 0 0 F2 F 0.0150(15) 0.0090(12) 0.0118(13) 0.0048(12) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Gd1 F1 . 1_455 2.340(9) ? Gd1 F1 . 2_545 2.340(11) ? Gd1 F1 . 3_665 2.340(7) ? Gd1 F2 . 1_444 2.381(2) ? Gd1 F2 . 1_445 2.381(2) ? Gd1 F2 . 2_654 2.381(4) ? Gd1 F2 . 2_655 2.381(4) ? Gd1 F2 . 3_564 2.381(4) ? Gd1 F2 . 3_565 2.381(4) ? Na1 F1 . 1_565 2.980(9) ? Na1 F1 . 1_566 2.601(8) ? Na1 F1 . 2_555 2.980(10) ? Na1 F1 . 2_556 2.601(10) ? Na1 F1 . 3_665 2.980(11) ? Na1 F1 . 3_666 2.601(11) ? Na1 F2 . . 2.220(5) ? Na1 F2 . 2_665 2.220(8) ? Na1 F2 . 3_565 2.220(4) ? Na2 F1 . . 2.440(6) ? Na2 F1 . 1_556 2.440(6) ? Na2 F1 . 2_655 2.440(4) ? Na2 F1 . 2_656 2.440(4) ? Na2 F1 . 3_665 2.440(8) ? Na2 F1 . 3_666 2.440(8) ? Na2 F2 . . 2.363(5) ? Na2 F2 . 2_655 2.363(4) ? Na2 F2 . 3_665 2.363(8) ? Gd2 F1 . . 2.440(6) ? Gd2 F1 . 1_556 2.440(6) ? Gd2 F1 . 2_655 2.440(4) ? Gd2 F1 . 2_656 2.440(4) ? Gd2 F1 . 3_665 2.440(8) ? Gd2 F1 . 3_666 2.440(8) ? Gd2 F2 . . 2.363(5) ? Gd2 F2 . 2_655 2.363(4) ? Gd2 F2 . 3_665 2.363(8) ? F1 F1 . 2_655 2.844(11) ? F1 F1 . 3_665 2.844(15) ? F1 F2 . 1_544 2.788(8) ? F1 F2 . 1_545 2.788(8) ? F1 F2 . 2_654 2.841(7) ? F1 F2 . 2_655 2.841(7) ? F1 F2 . 3_664 2.694(6) ? F1 F2 . 3_665 2.694(6) ? F2 F2 . 2_765 2.690(6) ? F2 F2 . 3_675 2.690(6) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 0 1 176.07 70.46 8.42 o 0 0 3 70.40 62.43 9.12 o 0 0 4 2179.16 2400.93 258.05 o 0 0 5 15.57 20.61 5.29 o 0 0 6 650.03 720.03 79.56 o 0 0 7 0.13 3.70 5.42 < 1 -1 0 1471.21 1377.82 104.39 o 1 -1 1 3157.33 3367.63 254.71 o 1 -1 2 1293.87 1508.56 93.80 o 1 -1 3 1730.85 1730.52 107.60 o 1 -1 4 565.07 541.65 34.73 o 1 -1 5 645.42 671.82 42.87 o 1 -1 6 174.08 164.28 14.98 o 1 -1 7 208.27 219.23 15.68 o 1 0 0 1468.39 1374.72 104.19 o 1 0 1 3205.27 3365.21 360.13 o 1 0 2 1285.32 1487.99 92.67 o 1 0 3 1734.55 1704.00 106.20 o 1 0 4 560.36 542.93 34.80 o 1 0 5 655.38 671.01 42.82 o 1 0 6 172.80 182.19 12.92 o 1 0 7 211.70 214.36 15.48 o 1 1 0 3737.74 3705.19 280.12 o 1 1 1 717.69 771.26 37.35 o 1 1 2 2934.18 2664.05 143.12 o 1 1 3 237.07 229.27 15.47 o 1 1 4 1275.37 1299.29 81.48 o 1 1 5 65.87 60.88 5.67 o 1 1 6 447.29 492.07 27.60 o 1 1 7 8.15 8.99 2.74 o 2 -3 0 1728.12 1678.46 127.46 o 2 -3 1 3849.62 4052.14 250.52 o 2 -3 2 1168.84 1398.65 67.48 o 2 -3 3 1912.30 1978.31 106.66 o 2 -3 4 501.63 489.02 27.19 o 2 -3 5 684.19 709.61 39.09 o 2 -3 6 160.87 157.80 9.99 o 2 -3 7 221.83 218.83 16.20 o 2 -2 0 1226.37 1156.51 87.98 o 2 -2 1 4784.70 4845.16 518.48 o 2 -2 2 935.77 1176.01 90.08 o 2 -2 3 2211.33 2287.19 174.21 o 2 -2 4 437.48 452.92 29.16 o 2 -2 5 743.77 789.21 50.29 o 2 -2 6 141.66 155.21 14.47 o 2 -2 7 235.57 241.23 21.88 o 2 -1 0 3740.74 3602.68 272.50 o 2 -1 1 778.25 769.25 37.21 o 2 -1 2 3054.34 2711.83 205.70 o 2 -1 3 255.85 220.10 18.01 o 2 -1 4 1253.74 1209.35 65.80 o 2 -1 5 69.86 55.92 4.51 o 2 -1 6 438.94 483.06 27.10 o 2 -1 7 8.94 11.63 5.04 < 2 0 0 1224.17 1173.39 89.23 o 2 0 1 4396.57 4919.42 372.17 o 2 0 2 934.40 1196.91 74.71 o 2 0 3 2156.06 2263.05 121.97 o 2 0 4 448.02 413.21 23.08 o 2 0 5 734.97 776.80 42.55 o 2 0 6 146.52 144.82 9.18 o 2 0 7 232.84 232.91 14.24 o 2 1 0 323.05 158.95 18.99 o 2 1 1 3098.64 3249.81 155.95 o 2 1 2 331.66 341.00 19.30 o 2 1 3 1647.66 1686.88 91.12 o 2 1 4 259.87 241.93 14.25 o 2 1 5 620.59 628.57 31.17 o 2 1 6 96.54 104.09 7.10 o 2 1 7 202.62 193.22 12.32 o 2 2 0 3322.80 3341.89 253.46 o 2 2 1 140.32 86.55 5.90 o 2 2 2 2317.88 2085.07 100.35 o 2 2 3 115.00 101.30 7.63 o 2 2 4 1019.69 1036.42 56.58 o 2 2 5 38.83 36.38 3.59 o 2 2 6 373.08 390.81 22.38 o 2 2 7 4.05 4.83 3.89 < 3 -5 0 367.70 383.37 30.77 o 3 -5 1 1977.38 1925.79 103.85 o 3 -5 2 357.62 415.95 23.44 o 3 -5 3 1119.75 1092.60 69.00 o 3 -5 4 227.71 225.19 15.79 o 3 -5 5 456.28 440.07 29.20 o 3 -5 6 85.98 85.93 8.05 o 3 -5 7 160.54 126.22 11.40 o 3 -4 0 1222.30 1224.69 94.02 o 3 -4 1 1580.54 1587.17 85.72 o 3 -4 2 919.46 1100.66 59.79 o 3 -4 3 1019.40 947.27 59.81 o 3 -4 4 432.67 432.53 28.25 o 3 -4 5 449.30 450.58 29.61 o 3 -4 6 143.23 147.54 11.53 o 3 -4 7 159.46 157.70 12.82 o 3 -3 0 5007.05 4982.94 377.03 o 3 -3 1 169.62 87.02 5.85 o 3 -3 2 3632.05 3411.74 183.26 o 3 -3 3 95.04 75.21 7.92 o 3 -3 4 1399.96 1468.45 112.69 o 3 -3 5 24.08 31.43 5.35 o 3 -3 6 466.12 495.24 32.59 o 3 -3 7 1.21 5.02 4.13 < 3 -2 0 266.93 143.99 12.07 o 3 -2 1 3048.04 3202.90 198.15 o 3 -2 2 310.11 340.33 21.96 o 3 -2 3 1689.15 1679.38 128.39 o 3 -2 4 259.33 222.53 18.65 o 3 -2 5 626.00 636.47 41.13 o 3 -2 6 97.34 94.17 10.37 o 3 -2 7 205.29 202.12 19.37 o 3 -1 0 1692.70 1693.46 128.86 o 3 -1 1 3888.20 4063.17 217.63 o 3 -1 2 1160.00 1499.15 81.02 o 3 -1 3 1974.73 2003.54 124.67 o 3 -1 4 488.17 456.75 35.81 o 3 -1 5 699.09 754.96 59.31 o 3 -1 6 155.01 169.08 15.68 o 3 -1 7 226.95 239.77 22.05 o 3 0 0 5708.83 5379.71 575.27 o 3 0 1 163.93 98.33 7.46 o 3 0 2 3681.74 3775.98 233.64 o 3 0 3 93.04 78.26 5.84 o 3 0 4 1388.74 1473.99 80.10 o 3 0 5 23.62 34.85 3.25 o 3 0 6 467.06 535.48 43.03 o 3 0 7 1.12 5.94 5.03 < 3 1 0 642.80 583.27 45.50 o 3 1 1 2166.30 2190.10 105.42 o 3 1 2 580.91 707.79 34.92 o 3 1 3 1236.18 1230.32 66.97 o 3 1 4 334.28 345.38 19.81 o 3 1 5 500.74 528.86 29.75 o 3 1 6 118.55 130.27 8.42 o 3 1 7 172.64 160.70 10.43 o 3 2 0 1095.68 1025.33 79.07 o 3 2 1 3140.08 3216.86 172.85 o 3 2 2 777.35 928.94 45.38 o 3 2 3 1546.06 1663.55 90.08 o 3 2 4 350.48 374.67 21.42 o 3 2 5 580.39 605.91 33.91 o 3 2 6 121.19 125.83 8.65 o 3 2 7 198.00 152.71 10.48 o 3 3 0 2107.73 2115.60 161.62 o 3 3 1 111.08 74.96 5.71 o 3 3 2 1535.80 1393.05 75.60 o 3 3 3 74.06 63.26 6.16 o 3 3 4 714.54 701.54 45.19 o 3 3 5 23.26 27.61 4.41 o 3 3 6 278.60 289.37 20.44 o 3 3 7 2.30 0.78 7.25 < 4 -7 0 470.69 469.72 37.71 o 4 -7 1 1128.76 1115.64 61.02 o 4 -7 2 384.36 444.92 29.25 o 4 -7 3 691.16 696.01 38.55 o 4 -7 4 208.44 216.00 15.45 o 4 -7 5 309.77 325.30 22.57 o 4 -7 6 81.26 82.75 8.22 o 4 -6 0 200.86 185.17 16.07 o 4 -6 1 1518.62 1511.43 81.94 o 4 -6 2 214.07 225.77 15.49 o 4 -6 3 910.84 903.59 49.59 o 4 -6 4 156.79 151.94 11.52 o 4 -6 5 391.83 412.16 27.67 o 4 -6 6 65.90 75.53 7.79 o 4 -5 0 3299.93 3334.88 253.21 o 4 -5 1 55.80 35.06 3.27 o 4 -5 2 2320.56 2226.02 119.97 o 4 -5 3 42.51 20.79 2.69 o 4 -5 4 999.85 1040.25 65.84 o 4 -5 5 11.57 14.78 3.57 o 4 -5 6 368.37 411.22 28.31 o 4 -5 7 0.29 3.05 4.65 < 4 -4 0 1200.70 1136.86 87.13 o 4 -4 1 1202.75 1215.91 65.91 o 4 -4 2 914.73 1032.45 56.17 o 4 -4 3 822.15 776.30 42.59 o 4 -4 4 434.01 398.98 26.25 o 4 -4 5 376.48 384.80 25.69 o 4 -4 6 144.65 155.96 11.86 o 4 -4 7 137.22 123.07 10.78 o 4 -3 0 639.86 617.91 47.87 o 4 -3 1 2120.43 2123.04 114.45 o 4 -3 2 579.74 691.66 43.76 o 4 -3 3 1254.39 1255.32 96.49 o 4 -3 4 332.14 315.87 25.95 o 4 -3 5 507.60 518.38 41.24 o 4 -3 6 117.36 134.54 13.44 o 4 -3 7 174.40 157.93 12.65 o 4 -2 0 3190.96 3198.57 198.03 o 4 -2 1 129.92 88.10 5.26 o 4 -2 2 2293.92 2108.65 131.05 o 4 -2 3 112.08 66.09 6.92 o 4 -2 4 1027.58 1059.68 81.53 o 4 -2 5 38.26 21.50 3.96 o 4 -2 6 374.19 425.55 34.97 o 4 -2 7 3.96 7.28 5.87 < 4 -1 0 1241.71 1203.51 92.17 o 4 -1 1 1594.63 1529.01 73.86 o 4 -1 2 931.55 1099.80 59.64 o 4 -1 3 1018.34 983.46 53.59 o 4 -1 4 436.04 431.48 34.37 o 4 -1 5 439.93 465.89 37.98 o 4 -1 6 143.23 155.73 15.08 o 4 -1 7 155.72 172.49 17.13 o 4 0 0 1184.06 1126.71 86.45 o 4 0 1 1187.08 1175.25 73.72 o 4 0 2 904.41 1047.57 56.97 o 4 0 3 831.86 790.61 38.90 o 4 0 4 433.01 440.80 25.05 o 4 0 5 386.38 380.50 19.48 o 4 0 6 145.71 162.24 15.52 o 4 0 7 141.55 133.38 14.25 o 4 1 0 2670.80 2550.69 158.52 o 4 1 1 54.60 27.19 2.76 o 4 1 2 1944.63 1846.68 89.28 o 4 1 3 55.26 43.68 4.14 o 4 1 4 882.79 938.42 51.59 o 4 1 5 18.82 22.21 3.24 o 4 1 6 335.02 363.77 21.09 o 4 1 7 1.30 3.90 4.75 < 4 2 0 378.11 361.86 29.30 o 4 2 1 1505.49 1447.82 78.67 o 4 2 2 337.59 391.97 20.02 o 4 2 3 889.71 896.01 44.04 o 4 2 4 200.10 200.51 12.44 o 4 2 5 382.59 422.17 24.31 o 4 2 6 77.76 75.45 6.37 o 4 2 7 141.05 124.96 22.13 o 4 3 0 509.50 483.59 38.61 o 4 3 1 754.49 754.92 41.85 o 4 3 2 416.16 480.32 27.09 o 4 3 3 528.45 529.38 29.72 o 4 3 4 224.76 242.23 17.29 o 4 3 5 263.40 274.19 19.48 o 4 3 6 86.14 90.09 8.78 o 4 4 0 1589.67 1495.80 162.64 o 4 4 1 15.77 8.69 2.32 o 4 4 2 1178.14 1134.00 62.04 o 4 4 3 8.46 10.26 2.59 o 4 4 4 578.57 622.50 40.63 o 4 4 5 1.10 5.07 3.66 < 4 4 6 239.51 216.36 16.94 o 5 -9 0 128.94 137.47 13.17 o 5 -9 1 568.03 578.53 32.83 o 5 -9 2 120.17 145.63 9.84 o 5 -9 3 378.06 397.93 23.01 o 5 -9 4 82.40 88.83 8.38 o 5 -9 5 187.68 175.26 13.92 o 5 -8 0 325.13 308.35 25.75 o 5 -8 1 938.12 952.35 52.33 o 5 -8 2 261.52 308.28 18.11 o 5 -8 3 570.23 582.77 32.54 o 5 -8 4 142.33 155.13 12.07 o 5 -8 5 258.91 256.30 18.62 o 5 -8 6 58.30 46.37 6.91 o 5 -7 0 1296.15 1286.98 98.99 o 5 -7 1 76.21 65.64 5.22 o 5 -7 2 1004.66 924.94 50.74 o 5 -7 3 49.94 51.88 4.70 o 5 -7 4 520.51 527.77 34.60 o 5 -7 5 16.72 19.62 4.06 o 5 -7 6 220.52 213.34 16.24 o 5 -6 0 557.20 550.58 43.48 o 5 -6 1 1748.52 1771.74 95.83 o 5 -6 2 445.95 528.65 29.49 o 5 -6 3 979.51 1011.75 55.36 o 5 -6 4 235.59 251.64 17.54 o 5 -6 5 404.59 430.70 28.82 o 5 -6 6 90.66 91.37 8.89 o 5 -5 0 764.68 780.34 60.60 o 5 -5 1 1749.56 1744.97 94.44 o 5 -5 2 588.51 680.60 37.53 o 5 -5 3 990.39 973.94 53.16 o 5 -5 4 289.55 311.43 20.99 o 5 -5 5 410.29 407.88 27.07 o 5 -5 6 103.53 107.17 9.33 o 5 -5 7 148.21 100.82 10.86 o 5 -4 0 2637.96 2815.62 214.04 o 5 -4 1 52.83 32.50 3.17 o 5 -4 2 1937.55 1732.69 93.64 o 5 -4 3 54.32 50.67 4.10 o 5 -4 4 887.81 896.49 56.81 o 5 -4 5 18.48 14.88 3.06 o 5 -4 6 336.51 358.91 24.28 o 5 -4 7 1.22 2.69 3.96 < 5 -3 0 1094.89 1053.86 80.91 o 5 -3 1 3000.22 3055.03 164.59 o 5 -3 2 793.78 910.98 57.36 o 5 -3 3 1542.89 1704.11 130.43 o 5 -3 4 365.01 369.07 29.72 o 5 -3 5 569.76 589.17 46.48 o 5 -3 6 127.62 127.68 10.46 o 5 -3 7 193.25 176.08 17.65 o 5 -2 0 383.46 341.15 27.50 o 5 -2 1 1936.54 1916.09 92.53 o 5 -2 2 363.35 413.23 20.74 o 5 -2 3 1115.72 1154.97 88.80 o 5 -2 4 227.12 239.05 19.99 o 5 -2 5 456.31 476.31 38.07 o 5 -2 6 85.08 94.50 10.86 o 5 -2 7 159.86 152.47 16.19 o 5 -1 0 3306.90 3289.51 249.82 o 5 -1 1 61.26 46.39 4.06 o 5 -1 2 2316.83 2162.08 116.47 o 5 -1 3 44.43 46.03 4.75 o 5 -1 4 1002.03 1063.95 67.25 o 5 -1 5 11.98 13.40 4.18 o 5 -1 6 367.19 407.55 33.95 o 5 -1 7 0.35 4.83 5.55 < 5 0 0 766.03 774.34 60.29 o 5 0 1 1758.03 1804.61 112.72 o 5 0 2 592.06 673.21 37.29 o 5 0 3 982.66 1029.26 50.32 o 5 0 4 293.91 310.12 18.26 o 5 0 5 402.26 421.96 24.28 o 5 0 6 105.55 124.08 13.10 o 5 0 7 144.96 113.62 13.53 o 5 1 0 159.57 131.89 12.53 o 5 1 1 1318.96 1301.33 63.39 o 5 1 2 169.82 178.79 9.90 o 5 1 3 807.59 799.13 35.96 o 5 1 4 128.28 127.30 8.76 o 5 1 5 354.29 378.91 22.13 o 5 1 6 55.16 57.02 5.59 o 5 2 0 1702.83 1637.64 125.79 o 5 2 1 52.02 35.21 3.82 o 5 2 2 1253.67 1147.21 56.05 o 5 2 3 32.58 34.71 3.84 o 5 2 4 603.75 630.43 35.46 o 5 2 5 8.62 8.79 2.87 o 5 2 6 245.40 232.85 14.79 o 5 3 0 354.42 367.96 30.22 o 5 3 1 594.64 600.68 33.73 o 5 3 2 295.30 342.27 19.98 o 5 3 3 404.27 398.08 22.77 o 5 3 4 166.73 179.39 13.69 o 5 3 5 202.01 202.55 15.46 o 5 3 6 67.36 55.98 7.60 o 5 4 0 150.66 159.32 14.74 o 5 4 1 522.46 542.28 30.72 o 5 4 2 139.55 161.28 10.59 o 5 4 3 356.28 357.46 20.98 o 5 4 4 94.58 101.97 9.41 o 5 4 5 180.66 175.23 13.94 o 5 5 0 557.14 597.20 67.35 o 5 5 1 15.96 18.84 3.60 o 5 5 2 450.15 444.27 25.72 o 5 5 3 10.04 12.16 3.27 o 5 5 4 259.83 252.13 18.25 o 5 5 5 2.69 1.40 6.68 < 6 -11 0 132.68 148.20 14.32 o 6 -11 1 252.16 256.88 15.96 o 6 -11 2 112.56 127.10 9.38 o 6 -11 3 188.68 179.04 11.85 o 6 -11 4 69.48 57.03 5.92 o 6 -10 0 159.82 178.15 16.32 o 6 -10 1 445.30 469.97 27.02 o 6 -10 2 134.73 161.42 10.69 o 6 -10 3 308.67 329.08 19.68 o 6 -10 4 81.56 83.37 6.67 o 6 -10 5 162.53 153.49 23.23 o 6 -9 0 669.69 703.46 55.51 o 6 -9 1 38.92 34.24 3.94 o 6 -9 2 540.38 518.45 29.51 o 6 -9 3 23.62 23.74 3.81 o 6 -9 4 306.59 297.19 17.85 o 6 -9 5 7.50 10.24 4.68 < 6 -8 0 215.89 220.58 19.17 o 6 -8 1 705.67 713.72 39.73 o 6 -8 2 192.77 226.02 13.74 o 6 -8 3 467.25 472.01 26.73 o 6 -8 4 121.64 119.97 8.22 o 6 -8 5 227.93 217.10 16.25 o 6 -8 6 53.51 33.64 8.64 o 6 -7 0 255.46 248.76 20.81 o 6 -7 1 802.52 780.24 43.07 o 6 -7 2 225.85 253.33 15.00 o 6 -7 3 534.47 531.99 29.85 o 6 -7 4 136.51 140.64 9.14 o 6 -7 5 258.08 260.51 18.44 o 6 -7 6 56.32 50.84 6.64 o 6 -6 0 1472.13 1508.23 115.51 o 6 -6 1 82.58 59.70 4.81 o 6 -6 2 1118.74 1026.94 56.17 o 6 -6 3 54.16 55.30 4.63 o 6 -6 4 558.97 562.10 36.54 o 6 -6 5 17.43 14.29 3.59 o 6 -6 6 230.29 226.32 16.48 o 6 -5 0 143.97 136.10 12.20 o 6 -5 1 1315.93 1321.74 71.88 o 6 -5 2 162.23 189.21 11.44 o 6 -5 3 811.66 799.66 43.97 o 6 -5 4 127.86 120.18 9.42 o 6 -5 5 357.64 373.44 25.00 o 6 -5 6 55.81 57.19 6.35 o 6 -4 0 374.88 368.11 29.44 o 6 -4 1 1467.15 1467.76 79.49 o 6 -4 2 333.89 382.82 21.69 o 6 -4 3 887.70 930.02 50.88 o 6 -4 4 196.91 209.89 18.13 o 6 -4 5 384.94 414.18 33.84 o 6 -4 6 76.06 72.57 6.79 o 6 -4 7 141.46 127.95 16.32 o 6 -3 0 2062.18 2032.39 154.82 o 6 -3 1 102.50 83.53 6.70 o 6 -3 2 1525.80 1498.88 93.67 o 6 -3 3 70.12 78.73 8.23 o 6 -3 4 722.63 743.41 58.03 o 6 -3 5 22.02 21.04 5.03 o 6 -3 6 282.48 292.43 24.53 o 6 -3 7 2.06 4.01 7.25 < 6 -2 0 190.25 182.43 15.83 o 6 -2 1 1507.56 1437.96 69.79 o 6 -2 2 210.48 228.81 12.12 o 6 -2 3 910.91 904.17 49.54 o 6 -2 4 158.65 151.04 13.44 o 6 -2 5 391.86 423.70 33.98 o 6 -2 6 67.46 75.68 10.09 o 6 -2 7 143.89 126.54 16.07 o 6 -1 0 549.03 570.88 45.01 o 6 -1 1 1744.27 1724.75 93.37 o 6 -1 2 436.16 490.19 27.58 o 6 -1 3 988.36 1011.07 55.16 o 6 -1 4 227.81 237.03 14.04 o 6 -1 5 411.21 447.13 36.97 o 6 -1 6 86.75 93.58 11.16 o 6 0 0 1466.90 1378.24 106.00 o 6 0 1 74.41 71.81 6.47 o 6 0 2 1120.26 1020.80 64.60 o 6 0 3 50.54 48.23 4.67 o 6 0 4 563.22 579.18 32.71 o 6 0 5 16.42 12.88 3.28 o 6 0 6 233.12 242.27 22.08 o 6 1 0 332.30 310.67 25.92 o 6 1 1 1176.34 1144.75 56.12 o 6 1 2 284.22 327.54 17.15 o 6 1 3 710.86 749.08 33.88 o 6 1 4 168.46 194.55 12.47 o 6 1 5 317.36 336.80 19.98 o 6 1 6 71.50 73.57 6.88 o 6 2 0 305.26 320.55 26.75 o 6 2 1 911.20 885.02 48.90 o 6 2 2 244.58 292.77 15.52 o 6 2 3 556.02 571.81 28.70 o 6 2 4 133.26 158.36 10.76 o 6 2 5 254.90 254.70 15.90 o 6 2 6 55.42 44.02 6.60 o 6 3 0 726.08 741.82 58.74 o 6 3 1 15.61 8.58 2.84 o 6 3 2 580.84 563.91 32.13 o 6 3 3 12.50 4.07 3.09 < 6 3 4 324.64 333.62 23.39 o 6 3 5 3.88 5.12 4.06 < 6 4 0 179.59 186.43 17.17 o 6 4 1 563.10 577.78 32.86 o 6 4 2 148.24 175.84 11.67 o 6 4 3 360.42 379.34 26.14 o 6 4 4 88.10 94.97 9.02 o 6 4 5 176.48 172.34 26.66 o 6 5 0 67.52 72.21 9.02 o 6 5 1 311.25 321.83 19.59 o 6 5 2 60.09 69.63 6.29 o 6 5 3 215.86 218.18 13.93 o 6 5 4 40.66 31.04 6.54 o 6 6 0 306.51 304.87 26.28 o 6 6 1 1.77 2.61 3.51 < 6 6 2 255.47 215.18 14.05 o 6 6 3 0.83 0.72 3.95 < 7 -13 0 53.35 47.23 11.02 o 7 -13 1 171.65 136.22 14.29 o 7 -12 0 85.40 87.04 10.05 o 7 -12 1 152.45 152.46 10.58 o 7 -12 2 74.93 77.05 6.82 o 7 -12 3 119.73 100.56 11.44 o 7 -11 0 517.50 505.25 41.04 o 7 -11 1 4.46 4.69 2.63 < 7 -11 2 411.78 402.88 23.72 o 7 -11 3 1.38 5.78 3.30 < 7 -11 4 231.62 205.65 16.02 o 7 -10 0 108.84 120.26 12.24 o 7 -10 1 439.00 461.68 26.54 o 7 -10 2 94.19 113.89 8.20 o 7 -10 3 293.64 291.65 17.70 o 7 -10 4 60.12 57.34 5.41 o 7 -10 5 149.93 53.70 13.56 o 7 -9 0 166.45 176.60 16.05 o 7 -9 1 513.47 530.12 29.98 o 7 -9 2 147.31 175.63 11.38 o 7 -9 3 350.55 359.76 21.08 o 7 -9 4 94.81 102.22 7.66 o 7 -9 5 179.68 153.15 12.53 o 7 -8 0 1334.18 1318.29 101.63 o 7 -8 1 18.18 12.42 2.51 o 7 -8 2 1000.82 960.52 52.78 o 7 -8 3 6.93 11.59 2.75 o 7 -8 4 494.73 506.57 28.73 o 7 -8 5 0.42 2.58 3.40 < 7 -7 0 299.69 317.70 26.12 o 7 -7 1 648.49 645.69 35.86 o 7 -7 2 253.61 281.17 16.52 o 7 -7 3 438.43 421.91 24.00 o 7 -7 4 146.58 149.81 9.74 o 7 -7 5 217.62 222.55 16.16 o 7 -7 6 60.33 46.25 6.70 o 7 -6 0 323.94 326.36 26.53 o 7 -6 1 1178.85 1182.64 64.45 o 7 -6 2 275.79 326.70 18.79 o 7 -6 3 719.98 733.26 40.57 o 7 -6 4 161.79 172.14 12.60 o 7 -6 5 323.72 334.54 22.70 o 7 -6 6 68.09 63.34 7.30 o 7 -5 0 1669.70 1652.17 126.30 o 7 -5 1 56.24 45.40 4.00 o 7 -5 2 1240.79 1169.73 63.95 o 7 -5 3 34.79 26.43 3.10 o 7 -5 4 599.11 656.72 42.44 o 7 -5 5 9.37 9.49 3.07 o 7 -5 6 242.74 227.87 16.60 o 7 -4 0 519.41 491.60 38.79 o 7 -4 1 760.47 737.85 40.55 o 7 -4 2 422.64 481.24 27.03 o 7 -4 3 524.14 534.01 34.41 o 7 -4 4 226.68 237.29 20.30 o 7 -4 5 257.65 281.86 23.91 o 7 -4 6 86.09 82.95 9.78 o 7 -3 0 462.51 451.18 29.34 o 7 -3 1 1121.09 1111.61 54.32 o 7 -3 2 376.98 448.96 29.16 o 7 -3 3 695.80 728.14 56.85 o 7 -3 4 204.21 241.08 20.36 o 7 -3 5 315.76 344.34 28.41 o 7 -3 6 79.44 89.76 11.70 o 7 -2 0 1287.37 1285.44 99.04 o 7 -2 1 86.40 74.13 4.95 o 7 -2 2 991.07 924.78 45.34 o 7 -2 3 54.86 50.41 4.58 o 7 -2 4 511.13 524.67 41.49 o 7 -2 5 18.23 29.32 7.73 o 7 -2 6 215.19 223.32 21.34 o 7 -1 0 259.16 255.23 21.58 o 7 -1 1 815.57 811.55 44.82 o 7 -1 2 228.64 259.09 15.38 o 7 -1 3 538.00 544.76 30.51 o 7 -1 4 137.91 131.12 8.70 o 7 -1 5 257.67 275.14 24.20 o 7 -1 6 56.81 53.32 8.56 o 7 0 0 294.23 307.56 25.45 o 7 0 1 641.04 663.13 42.73 o 7 0 2 249.82 301.92 20.66 o 7 0 3 439.46 440.44 20.51 o 7 0 4 145.23 156.71 10.55 o 7 0 5 220.53 220.78 14.14 o 7 0 6 60.04 50.08 8.55 o 7 1 0 876.85 893.05 69.92 o 7 1 1 27.25 24.19 3.20 o 7 1 2 691.26 656.05 32.93 o 7 1 3 17.31 19.06 2.58 o 7 1 4 376.87 391.22 23.16 o 7 1 5 4.98 6.61 3.44 < 7 2 0 68.00 75.86 8.99 o 7 2 1 503.54 507.16 29.06 o 7 2 2 68.70 86.45 7.14 o 7 2 3 344.64 343.85 18.30 o 7 2 4 53.25 54.89 5.68 o 7 2 5 176.27 158.79 11.23 o 7 3 0 127.19 151.15 14.59 o 7 3 1 388.90 403.76 23.81 o 7 3 2 111.12 137.20 9.71 o 7 3 3 277.05 291.69 17.95 o 7 3 4 71.37 70.68 7.94 o 7 3 5 149.51 41.12 12.97 o 7 4 0 416.60 414.19 34.62 o 7 4 1 3.55 4.79 3.07 < 7 4 2 341.53 309.46 19.06 o 7 4 3 2.08 3.75 3.52 < 7 4 4 203.14 166.16 17.24 o 7 5 0 35.72 39.07 7.28 o 7 5 1 206.12 201.46 13.46 o 7 5 2 36.30 42.71 5.50 o 7 5 3 151.41 123.18 13.05 o 7 6 0 58.63 55.09 14.62 o 7 6 1 192.44 162.83 16.71 o 8 -13 0 208.90 160.93 22.84 o 8 -12 0 60.97 54.52 7.86 o 8 -12 1 160.82 149.10 10.29 o 8 -12 2 55.99 59.13 5.90 o 8 -12 3 121.40 118.84 18.56 o 8 -11 0 60.69 70.11 9.08 o 8 -11 1 261.40 267.67 16.45 o 8 -11 2 55.66 67.15 6.14 o 8 -11 3 186.07 174.41 11.49 o 8 -11 4 39.56 35.72 9.81 o 8 -10 0 415.42 447.75 36.63 o 8 -10 1 12.76 15.51 3.42 o 8 -10 2 346.02 331.64 19.61 o 8 -10 3 7.53 10.27 3.34 o 8 -10 4 211.29 184.75 12.09 o 8 -9 0 173.83 173.74 15.71 o 8 -9 1 393.88 418.41 24.14 o 8 -9 2 148.16 169.60 11.13 o 8 -9 3 269.58 273.82 16.53 o 8 -9 4 90.17 95.19 7.38 o 8 -9 5 140.45 110.84 10.18 o 8 -8 0 245.06 258.36 21.88 o 8 -8 1 432.42 461.49 26.24 o 8 -8 2 204.65 233.03 14.13 o 8 -8 3 299.65 287.43 16.95 o 8 -8 4 118.84 125.83 8.73 o 8 -8 5 156.59 135.05 11.22 o 8 -7 0 869.53 896.64 69.71 o 8 -7 1 23.08 31.10 3.43 o 8 -7 2 690.36 636.35 35.42 o 8 -7 3 15.39 13.56 2.82 o 8 -7 4 379.44 380.80 21.99 o 8 -7 5 4.47 3.63 3.05 < 8 -6 0 306.58 308.16 25.38 o 8 -6 1 909.03 922.53 50.65 o 8 -6 2 247.72 296.27 17.30 o 8 -6 3 553.04 576.23 32.30 o 8 -6 4 136.86 154.27 11.79 o 8 -6 5 251.59 251.37 17.98 o 8 -6 6 57.46 55.89 13.23 o 8 -5 0 350.05 345.38 28.03 o 8 -5 1 588.58 600.67 33.33 o 8 -5 2 292.65 342.38 19.74 o 8 -5 3 407.58 405.67 23.14 o 8 -5 4 166.46 184.20 13.37 o 8 -5 5 206.78 195.04 14.30 o 8 -5 6 67.73 61.04 7.12 o 8 -4 0 1554.37 1508.93 115.60 o 8 -4 1 14.68 11.90 2.25 o 8 -4 2 1169.08 1131.76 71.19 o 8 -4 3 7.97 13.52 2.77 o 8 -4 4 578.93 650.48 51.33 o 8 -4 5 0.97 6.50 4.41 < 8 -4 6 239.95 233.98 21.07 o 8 -3 0 324.05 311.35 20.83 o 8 -3 1 938.84 960.06 47.13 o 8 -3 2 262.65 302.32 15.87 o 8 -3 3 566.49 598.17 47.14 o 8 -3 4 144.86 150.85 13.78 o 8 -3 5 255.48 275.71 23.20 o 8 -3 6 59.84 52.95 9.73 o 8 -2 0 212.49 224.62 19.19 o 8 -2 1 703.96 700.33 34.76 o 8 -2 2 189.23 223.52 13.53 o 8 -2 3 469.97 472.23 26.90 o 8 -2 4 119.20 129.62 10.28 o 8 -2 5 230.41 257.99 23.03 o 8 -2 6 52.32 44.22 8.68 o 8 -1 0 1331.64 1366.12 105.27 o 8 -1 1 18.34 21.06 3.08 o 8 -1 2 997.35 971.13 53.48 o 8 -1 3 7.02 11.18 2.73 o 8 -1 4 494.86 520.38 24.14 o 8 -1 5 0.45 2.25 3.89 < 8 0 0 244.83 244.55 21.14 o 8 0 1 433.90 465.27 30.79 o 8 0 2 204.43 241.78 13.61 o 8 0 3 296.52 307.78 14.99 o 8 0 4 118.32 120.72 7.22 o 8 0 5 152.92 139.07 10.34 o 8 1 0 136.99 140.87 13.97 o 8 1 1 476.59 493.51 25.40 o 8 1 2 121.32 149.33 9.19 o 8 1 3 321.87 327.44 15.95 o 8 1 4 79.34 79.69 5.30 o 8 1 5 164.72 135.48 10.66 o 8 2 0 555.00 567.44 45.96 o 8 2 1 11.20 8.59 3.48 < 8 2 2 439.99 441.00 25.96 o 8 2 3 5.33 10.30 3.17 o 8 2 4 245.24 228.30 17.23 o 8 3 0 117.05 137.37 14.10 o 8 3 1 184.34 188.61 12.90 o 8 3 2 99.24 114.81 8.81 o 8 3 3 142.61 133.36 9.77 o 8 3 4 61.14 59.00 13.46 o 8 4 0 82.47 91.20 11.01 o 8 4 1 180.85 178.17 12.23 o 8 4 2 71.71 72.71 7.20 o 8 4 3 133.81 124.35 20.57 o 8 5 0 196.42 176.68 25.31 o 9 -12 0 236.67 204.60 25.87 o 9 -12 1 1.30 5.62 3.49 < 9 -12 2 201.69 157.42 11.28 o 9 -11 0 102.56 111.60 12.07 o 9 -11 1 280.93 286.15 17.60 o 9 -11 2 88.17 98.99 7.53 o 9 -11 3 198.67 171.01 11.50 o 9 -10 0 76.81 91.54 10.22 o 9 -10 1 318.60 318.64 19.18 o 9 -10 2 68.65 89.90 7.14 o 9 -10 3 223.99 221.17 13.86 o 9 -10 4 46.63 39.29 5.00 o 9 -9 0 494.38 506.29 40.79 o 9 -9 1 12.21 14.72 3.07 o 9 -9 2 406.42 371.68 21.74 o 9 -9 3 6.41 10.23 2.81 o 9 -9 4 241.42 232.43 14.47 o 9 -8 0 138.20 145.02 13.52 o 9 -8 1 472.21 503.01 28.66 o 9 -8 2 123.23 145.54 9.72 o 9 -8 3 317.78 334.34 19.74 o 9 -8 4 81.36 85.07 7.59 o 9 -8 5 162.05 143.07 12.47 o 9 -7 0 70.70 80.36 8.61 o 9 -7 1 496.33 498.34 28.14 o 9 -7 2 69.93 86.03 6.43 o 9 -7 3 339.99 355.82 20.77 o 9 -7 4 52.92 62.12 5.67 o 9 -7 5 173.53 162.37 12.95 o 9 -6 0 728.16 734.94 57.35 o 9 -6 1 15.03 11.24 2.34 o 9 -6 2 583.12 564.76 31.59 o 9 -6 3 12.06 14.02 2.89 o 9 -6 4 326.82 329.34 22.39 o 9 -6 5 3.69 10.43 3.97 < 9 -5 0 148.38 154.96 13.99 o 9 -5 1 516.53 537.32 30.04 o 9 -5 2 138.53 161.34 10.18 o 9 -5 3 352.13 353.55 20.44 o 9 -5 4 94.75 98.97 8.37 o 9 -5 5 178.51 167.19 12.81 o 9 -4 0 132.19 139.54 12.57 o 9 -4 1 564.97 565.48 31.51 o 9 -4 2 121.67 136.95 10.27 o 9 -4 3 377.60 380.25 25.16 o 9 -4 4 82.17 95.36 9.99 o 9 -4 5 187.82 184.28 17.20 o 9 -3 0 670.83 661.31 42.57 o 9 -3 1 33.40 39.00 3.62 o 9 -3 2 544.30 517.93 26.23 o 9 -3 3 20.87 23.00 4.61 o 9 -3 4 312.30 316.60 26.22 o 9 -3 5 6.70 7.69 3.92 < 9 -2 0 169.60 170.91 15.35 o 9 -2 1 507.89 511.28 25.89 o 9 -2 2 150.46 180.80 11.60 o 9 -2 3 345.05 356.33 20.92 o 9 -2 4 97.24 106.46 7.78 o 9 -2 5 175.92 182.05 18.17 o 9 -1 0 174.06 182.44 16.40 o 9 -1 1 393.72 407.74 23.64 o 9 -1 2 148.08 171.08 11.22 o 9 -1 3 272.15 274.26 16.70 o 9 -1 4 90.03 89.84 5.93 o 9 -1 5 143.16 111.46 9.38 o 9 0 0 492.55 489.63 40.38 o 9 0 1 9.59 15.23 3.13 o 9 0 2 405.99 377.81 18.21 o 9 0 3 5.21 7.61 2.88 < 9 0 4 243.36 228.04 11.84 o 9 1 0 129.18 137.99 14.23 o 9 1 1 373.42 377.82 22.74 o 9 1 2 109.63 123.65 8.53 o 9 1 3 252.10 250.58 12.82 o 9 1 4 68.83 59.47 5.17 o 9 2 0 82.29 83.77 10.63 o 9 2 1 197.82 200.65 13.42 o 9 2 2 71.07 79.85 7.30 o 9 2 3 147.26 123.95 8.41 o 9 3 0 300.90 268.11 24.08 o 9 3 1 0.19 2.20 3.34 < 9 3 2 250.56 201.35 14.41 o 10 -12 0 56.80 50.36 8.06 o 10 -12 1 137.93 124.82 9.70 o 10 -11 0 337.50 343.23 28.76 o 10 -11 1 3.95 5.92 3.48 < 10 -11 2 272.97 242.34 15.27 o 10 -11 3 1.26 3.60 5.83 < 10 -10 0 45.13 54.98 7.35 o 10 -10 1 253.19 268.64 16.36 o 10 -10 2 43.39 47.60 5.10 o 10 -10 3 183.47 170.66 11.42 o 10 -9 0 125.89 128.70 12.48 o 10 -9 1 375.49 384.45 22.46 o 10 -9 2 106.23 121.44 8.76 o 10 -9 3 255.90 259.06 15.90 o 10 -9 4 66.03 64.00 6.01 o 10 -8 0 555.69 569.64 45.54 o 10 -8 1 10.68 15.46 3.03 o 10 -8 2 441.02 435.38 25.09 o 10 -8 3 5.04 9.39 3.14 < 10 -8 4 246.40 232.43 14.60 o 10 -7 0 132.64 143.95 13.51 o 10 -7 1 388.45 404.59 23.40 o 10 -7 2 115.69 140.55 9.38 o 10 -7 3 274.72 278.22 16.76 o 10 -7 4 74.13 74.71 6.13 o 10 -7 5 147.37 82.19 16.95 o 10 -6 0 175.89 193.55 17.27 o 10 -6 1 561.94 573.55 32.17 o 10 -6 2 144.00 177.68 11.24 o 10 -6 3 363.36 372.25 21.64 o 10 -6 4 84.28 93.46 8.24 o 10 -6 5 179.57 169.75 24.10 o 10 -5 0 552.60 559.93 44.61 o 10 -5 1 18.41 25.50 3.26 o 10 -5 2 446.75 413.77 23.72 o 10 -5 3 11.26 15.44 2.98 o 10 -5 4 256.71 250.03 17.54 o 10 -5 5 3.02 4.13 7.00 < 10 -4 0 165.84 177.61 15.88 o 10 -4 1 445.19 461.80 26.15 o 10 -4 2 139.89 162.02 11.87 o 10 -4 3 306.03 329.79 27.29 o 10 -4 4 84.85 91.39 9.98 o 10 -4 5 159.72 156.93 22.90 o 10 -3 0 108.26 120.12 9.68 o 10 -3 1 433.20 443.50 22.95 o 10 -3 2 92.98 115.37 7.59 o 10 -3 3 291.36 305.85 25.51 o 10 -3 4 58.56 63.33 8.27 o 10 -2 0 418.11 432.34 35.46 o 10 -2 1 15.34 18.79 2.97 o 10 -2 2 346.22 333.76 20.06 o 10 -2 3 8.71 11.88 3.68 o 10 -2 4 209.37 189.35 12.46 o 10 -1 0 78.08 86.87 9.76 o 10 -1 1 320.74 328.20 22.95 o 10 -1 2 70.14 86.88 7.09 o 10 -1 3 224.55 216.21 11.42 o 10 -1 4 48.07 39.15 4.39 o 10 0 0 44.61 51.64 8.32 o 10 0 1 250.68 264.92 14.98 o 10 0 2 42.60 53.54 4.64 o 10 0 3 181.62 176.24 9.76 o 10 1 0 248.61 236.24 21.84 o 10 1 1 1.58 5.33 3.97 < 10 1 2 211.45 176.58 12.81 o 10 1 3 1.22 4.14 5.25 < 10 2 0 33.99 28.37 7.52 o 10 2 1 160.49 127.79 10.72 o 11 -11 0 53.94 56.45 8.45 o 11 -11 1 152.21 138.28 10.09 o 11 -11 2 48.33 58.08 8.97 o 11 -10 0 243.33 251.62 21.95 o 11 -10 1 1.60 2.08 2.95 < 11 -10 2 207.46 196.96 12.68 o 11 -10 3 1.31 4.32 6.93 < 11 -9 0 82.72 105.07 11.03 o 11 -9 1 200.43 208.61 13.17 o 11 -9 2 71.28 77.62 6.60 o 11 -9 3 147.54 135.83 9.73 o 11 -8 0 114.69 125.46 12.25 o 11 -8 1 182.79 189.11 12.15 o 11 -8 2 97.99 114.54 8.30 o 11 -8 3 144.05 134.80 9.42 o 11 -8 4 61.26 67.78 13.44 o 11 -7 0 413.11 409.14 33.56 o 11 -7 1 3.77 6.36 2.90 < 11 -7 2 338.84 321.69 18.93 o 11 -7 3 2.24 5.92 2.77 < 11 -7 4 201.87 200.23 26.43 o 11 -6 0 66.26 75.08 8.37 o 11 -6 1 315.73 330.73 19.47 o 11 -6 2 59.62 74.30 5.82 o 11 -6 3 218.53 220.21 13.60 o 11 -6 4 41.08 31.99 5.43 o 11 -5 0 127.66 142.85 13.42 o 11 -5 1 252.00 265.16 15.95 o 11 -5 2 108.91 123.08 8.47 o 11 -5 3 191.32 180.13 11.41 o 11 -5 4 67.93 57.70 6.66 o 11 -4 0 515.90 536.43 42.79 o 11 -4 1 4.44 7.23 2.44 < 11 -4 2 410.85 382.25 21.94 o 11 -4 3 1.37 -1.13 3.44 < 11 -4 4 231.52 209.23 19.46 o 11 -3 0 59.91 66.96 6.94 o 11 -3 1 262.62 265.00 14.72 o 11 -3 2 55.44 69.90 6.44 o 11 -3 3 186.62 179.72 16.41 o 11 -3 4 39.93 38.58 10.33 o 11 -2 0 98.32 111.34 11.74 o 11 -2 1 283.00 277.37 15.21 o 11 -2 2 84.30 95.41 7.95 o 11 -2 3 201.88 170.94 12.06 o 11 -1 0 335.38 311.20 26.72 o 11 -1 1 4.21 5.06 3.46 < 11 -1 2 271.21 243.12 12.76 o 11 -1 3 1.40 2.39 5.89 < 11 0 0 55.14 54.16 9.25 o 11 0 1 151.99 131.85 10.53 o 11 0 2 49.29 53.03 7.14 o 12 -10 0 33.32 35.27 6.61 o 12 -10 1 161.32 133.09 9.74 o 12 -9 0 301.88 279.58 24.04 o 12 -9 1 0.46 2.28 2.86 < 12 -9 2 251.03 198.79 12.99 o 12 -8 0 82.56 82.24 9.29 o 12 -8 1 178.33 169.92 11.08 o 12 -8 2 71.85 74.17 6.27 o 12 -8 3 130.84 119.17 18.30 o 12 -7 0 35.94 43.40 6.20 o 12 -7 1 207.82 200.22 12.51 o 12 -7 2 36.08 42.90 4.71 o 12 -7 3 151.96 129.67 13.20 o 12 -6 0 305.04 307.07 26.03 o 12 -6 1 1.43 5.21 2.99 < 12 -6 2 254.74 219.69 13.72 o 12 -6 3 0.69 3.95 3.85 < 12 -5 0 86.03 88.38 9.79 o 12 -5 1 150.98 157.50 10.24 o 12 -5 2 75.09 77.08 6.10 o 12 -5 3 117.24 103.10 15.85 o 12 -4 0 61.45 64.76 7.73 o 12 -4 1 163.18 156.76 10.38 o 12 -4 2 56.40 63.08 5.50 o 12 -4 3 123.54 113.50 17.40 o 12 -3 0 233.69 215.79 15.85 o 12 -3 1 0.87 2.33 2.82 < 12 -3 2 200.04 155.83 11.81 o 12 -2 0 58.07 52.16 6.62 o 12 -2 1 138.49 116.00 9.87 o 13 -8 0 197.62 176.35 23.03 o 13 -7 0 61.14 60.19 10.55 o 13 -7 1 190.75 167.87 15.58 o 13 -6 0 53.43 55.69 10.55 o 13 -6 1 170.04 155.08 14.41 o 13 -5 0 209.94 187.52 24.06 o data_Ig _database_code_depnum_ccdc_archive 'CCDC 872708' #TrackingRef '- nalaf4_ambient_pressure.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 La1.5 Na1.5' _chemical_formula_weight 356.8 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 6.1800(10) _cell_length_b 6.1800(10) _cell_length_c 3.8310(5) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 126.71(3) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 4.6747 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 156 _exptl_absorpt_coefficient_mu 2.637 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type Cylindrical _exptl_absorpt_process_details 'Jana2006 (Petricek, Dusek & Palatinus, 2000)' _exptl_absorpt_correction_T_min 0.6162 _exptl_absorpt_correction_T_max 0.7082 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.3978 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 2836 _diffrn_reflns_theta_min 2.13 _diffrn_reflns_theta_max 25.95 _diffrn_reflns_theta_full 25.95 _diffrn_measured_fraction_theta_max 0.99 _diffrn_measured_fraction_theta_full 0.99 _diffrn_reflns_av_R_equivalents 0.0344 _diffrn_reflns_av_sigmaI/netI 0.018 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 1018 _reflns_number_gt 1011 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0253 _refine_ls_wR_factor_gt 0.0336 _refine_ls_R_factor_all 0.0255 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 2.16 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 1018 _refine_ls_number_parameters 21 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0052 _refine_ls_shift/su_mean 0.0014 _refine_diff_density_max 1.24 _refine_diff_density_min -1.77 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 2200(160) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0031 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' La -1.3384 0.8840 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0087 0.0073 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group La1 La 0 0 0 Uani 0.00981(5) 1 1 d . . . Na1 Na 0.333333 0.666667 0.646(3) Uani 0.044(2) 2 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.00949(9) 1 0.5 d . . . La2 La 0.666667 0.333333 0.5 Uani 0.00949(9) 1 0.5 d . . . F1 F 0.6304(6) 0.0406(7) 0 Uani 0.0277(10) 3 1 d . . . F2 F 0.7308(5) 0.7536(4) 0.5 Uani 0.0152(6) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 La1 La 0.01045(7) 0.01045(7) 0.00852(8) 0.00522(3) 0 0 Na1 Na 0.0210(12) 0.0210(12) 0.090(6) 0.0105(6) 0 0 Na2 Na 0.00891(12) 0.00891(12) 0.01064(14) 0.00446(6) 0 0 La2 La 0.00891(12) 0.00891(12) 0.01064(14) 0.00446(6) 0 0 F1 F 0.0167(10) 0.0197(11) 0.050(2) 0.0113(8) 0 0 F2 F 0.0160(8) 0.0126(7) 0.0139(6) 0.0048(6) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag La1 F1 . 1_455 2.419(5) ? La1 F1 . 2_545 2.419(6) ? La1 F1 . 3_665 2.419(4) ? La1 F2 . 1_444 2.4943(14) ? La1 F2 . 1_445 2.4943(14) ? La1 F2 . 2_654 2.494(2) ? La1 F2 . 2_655 2.494(2) ? La1 F2 . 3_564 2.494(2) ? La1 F2 . 3_565 2.494(2) ? Na1 F1 . 1_566 2.511(7) ? Na1 F1 . 2_556 2.511(7) ? Na1 F1 . 3_666 2.511(8) ? Na1 F2 . . 2.306(4) ? Na1 F2 . 2_665 2.306(5) ? Na1 F2 . 3_565 2.306(4) ? Na2 F1 . . 2.566(3) ? Na2 F1 . 1_556 2.566(3) ? Na2 F1 . 2_655 2.566(2) ? Na2 F1 . 2_656 2.566(2) ? Na2 F1 . 3_665 2.566(4) ? Na2 F1 . 3_666 2.566(4) ? Na2 F2 . . 2.424(3) ? Na2 F2 . 2_655 2.424(2) ? Na2 F2 . 3_665 2.424(4) ? La2 F1 . . 2.566(3) ? La2 F1 . 1_556 2.566(3) ? La2 F1 . 2_655 2.566(2) ? La2 F1 . 2_656 2.566(2) ? La2 F1 . 3_665 2.566(4) ? La2 F1 . 3_666 2.566(4) ? La2 F2 . . 2.424(3) ? La2 F2 . 2_655 2.424(2) ? La2 F2 . 3_665 2.424(4) ? F1 F2 . 1_544 2.881(4) ? F1 F2 . 1_545 2.881(4) ? F1 F2 . 3_664 2.849(3) ? F1 F2 . 3_665 2.849(3) ? F2 F2 . 2_765 2.767(4) ? F2 F2 . 3_675 2.767(3) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 0 1 172.49 153.83 2.52 o 0 0 2 3935.32 3834.87 54.73 o 0 0 3 126.40 129.22 2.64 o 0 0 4 1832.01 1658.32 34.74 o 0 0 5 35.38 36.23 2.14 o 0 0 6 572.96 542.22 13.04 o 0 0 7 14.23 15.21 2.24 o 0 0 8 169.58 137.21 5.66 o 1 -1 0 972.36 1036.35 21.18 o 1 -1 1 1871.21 1986.49 20.08 o 1 -1 2 1139.46 1176.79 12.23 o 1 -1 3 1202.25 1162.68 10.90 o 1 -1 4 461.96 453.34 5.26 o 1 -1 5 506.54 510.09 5.93 o 1 -1 6 155.48 164.99 3.12 o 1 -1 7 170.43 191.91 3.74 o 1 -1 8 51.45 49.73 2.21 o 1 0 0 969.09 1046.09 21.35 o 1 0 1 1857.12 1981.78 20.09 o 1 0 2 1129.25 1175.59 12.22 o 1 0 3 1212.16 1185.28 11.14 o 1 0 4 458.96 472.04 5.46 o 1 0 5 508.96 512.46 5.96 o 1 0 6 154.93 171.73 3.21 o 1 0 7 171.33 181.02 3.62 o 1 0 8 51.29 47.02 2.06 o 1 1 0 2164.01 2151.76 43.39 o 1 1 1 712.60 809.77 9.81 o 1 1 2 1722.72 1660.14 15.30 o 1 1 3 298.92 294.60 3.21 o 1 1 4 939.47 909.66 8.76 o 1 1 5 93.85 87.24 1.42 o 1 1 6 363.76 410.91 5.97 o 1 1 7 35.63 45.05 1.85 o 1 1 8 118.96 101.33 2.87 o 2 -3 0 1189.44 1128.05 23.59 o 2 -3 1 2630.87 2635.83 31.03 o 2 -3 2 1089.43 1144.23 12.04 o 2 -3 3 1440.82 1414.53 14.83 o 2 -3 4 414.16 407.35 4.28 o 2 -3 5 545.08 555.89 5.72 o 2 -3 6 134.57 141.78 2.37 o 2 -3 7 179.04 200.98 3.92 o 2 -3 8 44.30 34.28 2.13 o 2 -2 0 899.88 916.34 13.55 o 2 -2 1 2978.94 2952.51 34.56 o 2 -2 2 895.11 907.54 9.61 o 2 -2 3 1702.35 1647.28 19.85 o 2 -2 4 362.63 356.90 4.32 o 2 -2 5 612.50 591.00 6.72 o 2 -2 6 121.43 120.03 2.12 o 2 -2 7 195.64 204.67 3.91 o 2 -2 8 40.60 34.79 2.05 o 2 -1 0 2113.17 2119.80 30.55 o 2 -1 1 747.79 831.56 12.25 o 2 -1 2 1728.24 1654.07 19.70 o 2 -1 3 313.82 322.48 4.52 o 2 -1 4 932.47 913.23 9.85 o 2 -1 5 98.23 100.41 1.75 o 2 -1 6 359.35 380.86 4.83 o 2 -1 7 37.07 43.61 1.82 o 2 -1 8 117.11 102.03 2.91 o 2 0 1 2979.50 3173.32 37.19 o 2 0 2 904.06 952.05 10.05 o 2 0 3 1690.55 1749.20 21.02 o 2 0 4 368.76 357.56 4.29 o 2 0 5 609.71 585.65 6.71 o 2 0 6 123.92 125.81 2.16 o 2 0 7 194.60 212.64 4.14 o 2 0 8 41.55 38.31 1.98 o 2 1 0 217.79 174.92 3.95 o 2 1 1 2141.65 2146.73 25.36 o 2 1 2 267.12 272.80 3.28 o 2 1 3 1226.08 1175.54 12.44 o 2 1 4 195.47 179.59 2.23 o 2 1 5 499.74 514.54 5.99 o 2 1 6 85.18 88.24 1.78 o 2 1 7 169.91 177.05 3.65 o 2 1 8 32.15 32.87 2.40 o 2 2 0 2244.17 2149.91 44.01 o 2 2 1 144.08 129.93 2.17 o 2 2 2 1477.03 1437.66 17.42 o 2 2 3 154.22 146.30 1.91 o 2 2 4 767.56 754.50 7.40 o 2 2 5 63.15 56.96 1.18 o 2 2 6 300.49 312.06 3.65 o 2 2 7 26.44 30.88 1.67 o 3 -5 0 274.62 285.46 6.97 o 3 -5 1 1390.62 1406.54 17.09 o 3 -5 2 338.54 338.74 4.79 o 3 -5 3 816.11 820.72 8.96 o 3 -5 4 187.46 173.67 2.23 o 3 -5 5 353.59 359.81 4.46 o 3 -5 6 76.50 78.18 1.78 o 3 -5 7 127.95 129.93 3.10 o 3 -4 0 896.72 818.67 17.74 o 3 -4 1 938.03 909.08 11.25 o 3 -4 2 853.52 853.97 9.18 o 3 -4 3 662.84 662.45 7.35 o 3 -4 4 368.32 347.69 3.76 o 3 -4 5 322.37 335.31 4.25 o 3 -4 6 131.43 135.46 2.37 o 3 -4 7 120.70 128.82 2.51 o 3 -3 0 3433.69 3114.38 63.36 o 3 -3 1 160.71 144.61 2.35 o 3 -3 2 2517.09 2376.42 28.19 o 3 -3 3 141.80 136.48 2.48 o 3 -3 4 1112.35 1049.22 13.05 o 3 -3 5 47.45 39.75 1.16 o 3 -3 6 390.46 405.39 5.03 o 3 -3 7 19.05 23.28 1.30 o 3 -2 0 183.59 141.69 2.70 o 3 -2 1 2146.30 2074.03 24.73 o 3 -2 2 255.07 260.00 3.75 o 3 -2 3 1228.48 1299.01 15.95 o 3 -2 4 192.22 178.17 2.94 o 3 -2 5 503.90 512.73 5.99 o 3 -2 6 84.03 83.92 1.75 o 3 -2 7 172.10 180.30 3.07 o 3 -2 8 31.78 26.66 1.87 o 3 -1 0 1164.79 1319.65 19.56 o 3 -1 1 2606.64 2514.91 29.61 o 3 -1 2 1068.28 1149.85 14.01 o 3 -1 3 1455.86 1432.64 17.37 o 3 -1 4 404.56 408.28 5.60 o 3 -1 5 550.64 571.54 6.56 o 3 -1 6 130.97 136.72 2.32 o 3 -1 7 181.42 191.00 3.19 o 3 -1 8 42.99 32.32 2.07 o 3 0 0 3382.65 3345.17 68.02 o 3 0 1 156.61 136.64 2.17 o 3 0 2 2514.63 2469.64 29.26 o 3 0 3 140.07 143.23 2.54 o 3 0 4 1113.04 1164.61 14.38 o 3 0 5 46.88 42.67 1.14 o 3 0 6 391.13 399.73 5.00 o 3 0 7 18.85 20.51 1.22 o 3 0 8 124.36 107.84 6.23 o 3 1 0 353.83 328.99 6.99 o 3 1 1 1465.73 1478.78 15.36 o 3 1 2 463.33 460.42 5.21 o 3 1 3 891.00 851.33 9.22 o 3 1 4 254.58 247.23 2.87 o 3 1 5 387.25 402.73 4.86 o 3 1 6 101.05 115.12 2.17 o 3 1 7 138.25 146.96 2.71 o 3 2 0 798.85 833.54 12.70 o 3 2 1 2281.71 2280.87 23.50 o 3 2 2 713.87 727.89 9.25 o 3 2 3 1222.06 1214.13 12.86 o 3 2 4 291.27 292.53 3.28 o 3 2 5 463.85 463.31 4.93 o 3 2 6 98.24 105.25 2.09 o 3 2 7 156.27 146.50 2.74 o 3 3 0 1436.47 1497.44 22.14 o 3 3 1 100.03 99.23 1.74 o 3 3 2 971.69 983.25 12.27 o 3 3 3 99.46 89.31 1.92 o 3 3 4 516.77 520.23 5.40 o 3 3 5 44.10 40.36 1.09 o 3 3 6 214.43 219.64 2.98 o 3 3 7 19.30 20.13 1.54 o 4 -7 0 336.70 310.72 5.40 o 4 -7 1 806.21 807.45 10.13 o 4 -7 2 328.47 320.68 4.75 o 4 -7 3 499.90 503.83 5.90 o 4 -7 4 168.16 173.84 2.29 o 4 -7 5 230.07 233.81 3.04 o 4 -7 6 68.17 71.94 1.69 o 4 -7 7 88.54 75.62 2.29 o 4 -6 0 110.18 99.02 2.29 o 4 -6 1 1039.80 1032.68 12.70 o 4 -6 2 158.80 154.78 2.24 o 4 -6 3 646.27 623.15 7.00 o 4 -6 4 112.65 110.19 1.94 o 4 -6 5 293.38 306.04 3.60 o 4 -6 6 54.17 59.35 1.70 o 4 -6 7 110.87 105.21 2.38 o 4 -5 0 2320.51 2191.43 45.31 o 4 -5 1 53.17 47.26 1.05 o 4 -5 2 1552.65 1477.61 15.48 o 4 -5 3 68.83 64.87 1.33 o 4 -5 4 758.50 751.49 9.71 o 4 -5 5 29.36 30.85 1.15 o 4 -5 6 293.36 321.79 4.42 o 4 -5 7 13.51 18.35 1.30 o 4 -4 0 859.08 853.79 18.92 o 4 -4 1 762.34 747.11 9.48 o 4 -4 2 816.64 811.96 10.24 o 4 -4 3 549.92 537.57 7.20 o 4 -4 4 365.21 371.37 5.32 o 4 -4 5 273.85 277.64 3.71 o 4 -4 6 132.70 135.54 2.41 o 4 -4 7 104.64 106.47 2.31 o 4 -3 0 359.90 330.94 5.54 o 4 -3 1 1473.53 1431.45 17.38 o 4 -3 2 462.70 474.83 6.36 o 4 -3 3 901.11 868.23 10.99 o 4 -3 4 253.92 253.64 3.92 o 4 -3 5 388.59 400.64 4.87 o 4 -3 6 100.86 108.33 2.05 o 4 -3 7 138.48 143.20 2.73 o 4 -3 8 36.46 40.70 2.59 o 4 -2 0 2205.21 2349.74 34.20 o 4 -2 1 136.53 125.14 2.15 o 4 -2 2 1469.98 1380.62 16.78 o 4 -2 3 151.26 150.05 2.63 o 4 -2 4 767.83 747.15 9.59 o 4 -2 5 62.31 59.95 1.41 o 4 -2 6 300.89 327.29 4.38 o 4 -2 7 26.19 30.93 1.41 o 4 -2 8 101.26 101.33 4.23 o 4 -1 0 906.90 957.28 21.18 o 4 -1 1 947.16 979.94 12.09 o 4 -1 2 865.28 886.05 11.06 o 4 -1 3 658.07 654.40 8.43 o 4 -1 4 371.85 384.31 5.41 o 4 -1 5 320.33 320.01 4.05 o 4 -1 6 131.84 139.09 2.45 o 4 -1 7 119.56 137.23 2.65 o 4 -1 8 45.03 44.49 2.92 o 4 0 0 850.51 872.97 19.51 o 4 0 1 755.13 765.00 12.04 o 4 0 2 809.01 835.02 10.47 o 4 0 3 556.91 514.97 6.85 o 4 0 4 363.52 372.18 5.25 o 4 0 5 276.82 270.15 3.54 o 4 0 6 132.83 141.97 2.49 o 4 0 7 106.03 122.03 2.46 o 4 1 0 1784.56 1800.24 37.94 o 4 1 1 55.85 49.22 1.31 o 4 1 2 1206.16 1160.48 12.29 o 4 1 3 83.43 79.94 1.47 o 4 1 4 638.19 691.03 8.94 o 4 1 5 39.75 40.76 1.17 o 4 1 6 259.05 284.39 3.95 o 4 1 7 18.29 19.45 1.25 o 4 2 0 245.66 258.10 4.51 o 4 2 1 989.45 997.52 10.73 o 4 2 2 284.43 294.75 3.64 o 4 2 3 616.86 599.39 6.76 o 4 2 4 155.65 148.00 2.29 o 4 2 5 285.86 305.90 3.58 o 4 2 6 65.02 65.90 1.74 o 4 2 7 108.67 108.29 2.37 o 4 3 0 365.55 365.86 6.16 o 4 3 1 472.76 474.04 6.21 o 4 3 2 353.32 355.69 5.06 o 4 3 3 337.67 330.49 4.07 o 4 3 4 182.68 183.50 2.40 o 4 3 5 178.18 175.89 2.47 o 4 3 6 75.48 75.59 1.97 o 4 3 7 74.25 59.95 2.03 o 4 4 0 1038.92 1025.09 15.59 o 4 4 1 20.61 20.00 0.81 o 4 4 2 743.42 726.56 8.18 o 4 4 3 23.01 22.97 1.17 o 4 4 4 403.30 412.83 4.54 o 4 4 5 11.24 12.49 0.97 o 4 4 6 174.13 175.71 2.71 o 5 -9 0 75.55 74.42 2.08 o 5 -9 1 371.15 354.83 4.98 o 5 -9 2 85.01 83.67 1.80 o 5 -9 3 252.74 253.66 3.48 o 5 -9 4 58.01 56.60 1.35 o 5 -9 5 132.27 129.56 2.18 o 5 -9 6 29.89 25.26 1.40 o 5 -8 0 241.59 225.89 4.17 o 5 -8 1 668.00 661.08 8.48 o 5 -8 2 224.11 234.48 3.31 o 5 -8 3 411.90 403.14 4.94 o 5 -8 4 115.51 113.56 2.10 o 5 -8 5 189.73 189.55 2.70 o 5 -8 6 47.75 41.17 1.62 o 5 -7 0 904.65 960.72 14.64 o 5 -7 1 89.27 83.06 1.70 o 5 -7 2 639.20 595.66 6.71 o 5 -7 3 76.81 69.49 1.47 o 5 -7 4 363.54 340.54 4.31 o 5 -7 5 35.68 33.84 1.28 o 5 -7 6 161.88 160.33 2.89 o 5 -7 7 15.92 17.46 2.32 o 5 -6 0 355.47 343.29 4.56 o 5 -6 1 1222.23 1224.46 15.07 o 5 -6 2 357.48 351.26 4.22 o 5 -6 3 714.73 689.76 9.02 o 5 -6 4 178.30 175.27 3.15 o 5 -6 5 307.20 326.86 4.37 o 5 -6 6 70.23 76.33 1.94 o 5 -6 7 112.52 103.28 2.39 o 5 -5 0 591.70 582.02 13.66 o 5 -5 1 1339.56 1239.20 18.52 o 5 -5 2 542.99 541.26 7.25 o 5 -5 3 763.70 741.71 9.61 o 5 -5 4 243.95 254.21 4.07 o 5 -5 5 318.31 328.04 5.04 o 5 -5 6 89.04 92.62 2.01 o 5 -5 7 114.49 103.33 2.31 o 5 -4 0 1797.30 1752.09 37.01 o 5 -4 1 53.91 47.20 1.57 o 5 -4 2 1210.26 1147.22 14.20 o 5 -4 3 82.37 80.60 1.85 o 5 -4 4 640.03 643.99 8.52 o 5 -4 5 39.28 35.99 1.52 o 5 -4 6 259.77 278.92 3.92 o 5 -4 7 18.10 21.20 1.35 o 5 -3 0 807.88 847.75 19.18 o 5 -3 1 2287.29 2285.94 33.51 o 5 -3 2 727.07 732.22 9.40 o 5 -3 3 1211.34 1166.25 14.46 o 5 -3 4 299.68 298.93 4.44 o 5 -3 5 458.33 462.71 6.49 o 5 -3 6 102.12 106.38 2.17 o 5 -3 7 153.75 158.58 2.89 o 5 -2 0 284.20 308.34 8.23 o 5 -2 1 1378.89 1336.64 20.08 o 5 -2 2 340.70 344.44 4.87 o 5 -2 3 816.34 793.78 10.13 o 5 -2 4 188.20 177.96 3.05 o 5 -2 5 351.96 361.69 5.30 o 5 -2 6 76.84 77.97 1.84 o 5 -2 7 127.08 126.84 2.62 o 5 -1 0 2306.16 2393.75 49.98 o 5 -1 1 56.48 47.95 1.76 o 5 -1 2 1548.07 1533.00 18.61 o 5 -1 3 70.37 65.06 1.64 o 5 -1 4 758.38 749.96 9.69 o 5 -1 5 29.87 30.11 1.33 o 5 -1 6 293.01 325.52 4.44 o 5 -1 7 13.68 17.04 1.22 o 5 0 0 590.92 618.62 14.58 o 5 0 1 1330.82 1320.75 20.06 o 5 0 2 546.65 547.78 7.21 o 5 0 3 757.13 740.48 9.49 o 5 0 4 246.64 242.21 3.78 o 5 0 5 315.59 316.29 4.85 o 5 0 6 90.33 88.31 1.97 o 5 0 7 113.25 103.34 2.26 o 5 1 0 100.46 98.12 3.85 o 5 1 1 905.97 937.74 14.76 o 5 1 2 137.77 128.95 2.31 o 5 1 3 573.39 566.64 7.52 o 5 1 4 97.50 102.75 2.14 o 5 1 5 267.83 271.45 4.40 o 5 1 6 47.75 49.15 1.64 o 5 1 7 103.04 99.08 2.28 o 5 2 0 1251.01 1167.65 17.62 o 5 2 1 68.54 64.07 1.66 o 5 2 2 864.47 853.00 8.27 o 5 2 3 59.83 60.96 1.34 o 5 2 4 450.14 464.68 6.51 o 5 2 5 25.30 23.46 1.15 o 5 2 6 187.65 182.40 3.08 o 5 2 7 11.31 10.30 1.86 o 5 3 0 264.52 274.17 4.86 o 5 3 1 386.89 375.54 4.99 o 5 3 2 252.36 255.98 2.92 o 5 3 3 263.63 268.27 3.50 o 5 3 4 137.40 134.17 2.29 o 5 3 5 137.52 135.34 2.17 o 5 3 6 59.10 56.38 1.76 o 5 4 0 104.19 99.91 2.42 o 5 4 1 351.56 346.61 4.76 o 5 4 2 110.00 111.52 2.06 o 5 4 3 241.29 243.46 3.38 o 5 4 4 71.52 73.92 1.51 o 5 4 5 125.47 120.56 2.09 o 5 4 6 35.42 29.38 1.53 o 5 5 0 370.62 373.82 6.38 o 5 5 1 30.97 31.95 1.07 o 5 5 2 280.73 280.65 4.09 o 5 5 3 27.25 25.89 1.03 o 5 5 4 169.26 165.33 2.50 o 5 5 5 14.21 11.10 1.00 o 6 -11 0 88.72 94.01 2.50 o 6 -11 1 143.24 145.48 2.39 o 6 -11 2 83.49 88.84 1.93 o 6 -11 3 108.60 106.02 2.01 o 6 -11 4 50.37 47.61 1.41 o 6 -10 0 102.08 106.11 2.61 o 6 -10 1 282.85 288.39 3.78 o 6 -10 2 98.32 100.96 1.81 o 6 -10 3 199.11 202.27 2.89 o 6 -10 4 57.92 56.92 1.45 o 6 -10 5 106.84 99.57 2.01 o 6 -9 0 427.42 392.37 6.63 o 6 -9 1 40.41 40.21 1.25 o 6 -9 2 322.30 310.33 3.88 o 6 -9 3 37.04 33.76 1.20 o 6 -9 4 199.74 197.25 3.07 o 6 -9 5 20.23 20.03 1.42 o 6 -9 6 97.21 75.34 2.97 o 6 -8 0 155.67 157.30 2.44 o 6 -8 1 440.86 410.99 5.63 o 6 -8 2 161.08 167.76 2.31 o 6 -8 3 299.44 301.03 4.65 o 6 -8 4 94.60 98.66 2.35 o 6 -8 5 155.28 159.86 3.38 o 6 -8 6 43.32 40.23 1.70 o 6 -7 0 187.40 192.27 5.84 o 6 -7 1 521.22 499.21 6.75 o 6 -7 2 196.83 205.56 3.45 o 6 -7 3 354.45 356.14 5.26 o 6 -7 4 111.48 118.07 2.60 o 6 -7 5 182.34 190.74 3.58 o 6 -7 6 49.61 48.90 1.65 o 6 -7 7 75.12 61.99 3.70 o 6 -6 0 982.80 852.20 19.25 o 6 -6 1 90.49 83.46 1.92 o 6 -6 2 686.72 624.03 8.33 o 6 -6 3 80.69 76.48 1.89 o 6 -6 4 386.76 386.38 5.67 o 6 -6 5 37.73 38.16 1.61 o 6 -6 6 170.00 169.93 2.99 o 6 -6 7 16.97 15.22 1.45 o 6 -5 0 91.07 106.75 4.28 o 6 -5 1 911.00 942.89 12.06 o 6 -5 2 133.72 126.89 2.47 o 6 -5 3 573.51 576.30 7.77 o 6 -5 4 95.86 92.97 2.15 o 6 -5 5 270.35 281.55 4.58 o 6 -5 6 47.08 50.83 1.72 o 6 -5 7 104.45 93.94 2.33 o 6 -4 0 243.03 239.51 7.07 o 6 -4 1 984.45 954.45 14.71 o 6 -4 2 279.98 288.92 4.34 o 6 -4 3 617.99 599.51 8.00 o 6 -4 4 153.73 148.21 2.79 o 6 -4 5 285.37 309.40 4.77 o 6 -4 6 64.44 65.68 1.79 o 6 -4 7 108.46 104.92 2.34 o 6 -3 0 1441.76 1411.39 30.78 o 6 -3 1 96.15 89.61 2.43 o 6 -3 2 976.98 903.75 11.42 o 6 -3 3 97.12 88.10 1.99 o 6 -3 4 521.14 522.58 7.10 o 6 -3 5 42.98 42.71 1.56 o 6 -3 6 216.35 218.65 3.47 o 6 -3 7 18.83 18.64 1.23 o 6 -2 0 101.07 108.33 4.27 o 6 -2 1 1031.75 1012.20 15.72 o 6 -2 2 155.65 149.05 2.63 o 6 -2 3 641.27 627.04 8.23 o 6 -2 4 111.89 111.93 2.27 o 6 -2 5 294.15 302.49 4.83 o 6 -2 6 54.02 63.11 1.75 o 6 -2 7 111.65 108.11 2.44 o 6 -1 0 350.11 345.52 9.15 o 6 -1 1 1221.07 1182.08 18.14 o 6 -1 2 350.27 356.20 5.04 o 6 -1 3 722.00 714.66 9.30 o 6 -1 4 173.94 181.13 3.17 o 6 -1 5 310.27 330.81 5.09 o 6 -1 6 68.13 70.66 1.91 o 6 -1 7 113.80 98.60 2.33 o 6 0 0 979.10 977.64 21.90 o 6 0 1 84.42 84.36 2.56 o 6 0 2 687.07 641.11 10.53 o 6 0 3 77.30 78.01 1.83 o 6 0 4 388.88 399.23 5.73 o 6 0 5 36.33 41.82 1.67 o 6 0 6 171.63 174.82 2.97 o 6 0 7 16.45 14.33 1.37 o 6 1 0 205.60 196.23 6.06 o 6 1 1 792.34 827.95 13.43 o 6 1 2 215.91 221.27 4.67 o 6 1 3 495.20 502.82 6.85 o 6 1 4 122.18 133.83 2.66 o 6 1 5 229.12 249.31 4.30 o 6 1 6 53.36 58.25 1.71 o 6 2 0 216.99 237.47 7.01 o 6 2 1 611.01 645.17 15.04 o 6 2 2 203.89 221.62 4.78 o 6 2 3 385.29 392.02 5.60 o 6 2 4 107.56 111.45 2.42 o 6 2 5 181.30 183.74 3.56 o 6 2 6 45.25 36.90 1.61 o 6 3 0 456.58 454.02 11.36 o 6 3 1 21.90 20.48 1.28 o 6 3 2 343.87 331.98 5.05 o 6 3 3 25.86 25.39 0.96 o 6 3 4 210.96 222.26 3.89 o 6 3 5 15.59 15.45 1.11 o 6 3 6 101.82 88.90 3.23 o 6 4 0 124.59 111.96 2.78 o 6 4 1 374.45 402.20 5.88 o 6 4 2 115.47 113.26 2.73 o 6 4 3 244.94 252.37 3.15 o 6 4 4 64.74 66.80 1.71 o 6 4 5 121.10 110.47 2.33 o 6 5 0 51.03 60.64 1.99 o 6 5 1 187.39 189.31 2.83 o 6 5 2 50.53 49.49 1.13 o 6 5 3 133.21 133.00 2.25 o 6 5 4 32.63 26.83 1.13 o 6 6 0 187.97 182.97 4.13 o 6 6 1 6.93 8.11 1.01 o 6 6 2 150.39 141.48 2.66 o 6 6 3 7.15 6.94 0.78 o 7 -13 0 37.73 33.25 1.89 o 7 -13 1 103.57 82.18 1.92 o 7 -13 2 34.45 24.74 1.61 o 7 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198.94 6.35 o 7 -6 1 801.51 790.57 10.32 o 7 -6 2 211.10 221.10 3.71 o 7 -6 3 502.93 506.66 7.02 o 7 -6 4 118.82 127.12 2.70 o 7 -6 5 232.11 245.90 4.39 o 7 -6 6 51.63 56.83 2.18 o 7 -5 0 1247.73 1246.61 27.45 o 7 -5 1 70.98 75.27 2.11 o 7 -5 2 860.94 843.08 10.93 o 7 -5 3 61.40 61.68 1.77 o 7 -5 4 447.55 455.79 6.56 o 7 -5 5 26.09 27.30 1.46 o 7 -5 6 186.32 192.19 3.82 o 7 -5 7 11.64 10.26 2.55 o 7 -4 0 372.38 405.73 10.75 o 7 -4 1 478.15 509.63 7.30 o 7 -4 2 359.47 375.71 5.44 o 7 -4 3 335.81 327.48 4.88 o 7 -4 4 184.71 187.96 3.31 o 7 -4 5 176.94 188.41 3.61 o 7 -4 6 75.78 79.42 2.54 o 7 -4 7 73.48 63.38 2.11 o 7 -3 0 333.47 362.86 9.67 o 7 -3 1 807.29 820.45 13.10 o 7 -3 2 323.67 333.60 5.93 o 7 -3 3 505.29 515.21 7.04 o 7 -3 4 165.51 166.89 3.05 o 7 -3 5 232.58 246.92 4.40 o 7 -3 6 66.98 69.03 2.42 o 7 -3 7 89.66 70.99 2.28 o 7 -2 0 897.66 927.26 20.95 o 7 -2 1 95.93 99.38 2.71 o 7 -2 2 633.00 589.82 9.75 o 7 -2 3 80.80 77.66 1.90 o 7 -2 4 358.89 359.67 5.29 o 7 -2 5 37.51 34.86 1.67 o 7 -2 6 159.28 164.75 3.54 o 7 -2 7 16.66 13.57 2.02 o 7 -1 0 190.76 210.04 6.40 o 7 -1 1 527.91 544.04 9.37 o 7 -1 2 200.52 213.00 4.44 o 7 -1 3 355.66 364.33 5.32 o 7 -1 4 112.71 108.06 2.37 o 7 -1 5 183.26 200.32 3.74 o 7 -1 6 49.78 51.11 2.12 o 7 0 0 218.65 216.41 6.55 o 7 0 1 444.18 489.90 8.75 o 7 0 2 213.24 218.17 4.66 o 7 0 3 300.22 298.95 4.51 o 7 0 4 117.79 121.46 2.59 o 7 0 5 153.58 160.56 3.32 o 7 0 6 51.45 48.06 2.03 o 7 1 0 557.47 596.34 14.48 o 7 1 1 37.03 40.97 2.71 o 7 1 2 414.04 421.56 7.63 o 7 1 3 34.00 36.42 1.87 o 7 1 4 248.63 258.06 4.27 o 7 1 5 18.12 16.55 1.37 o 7 1 6 117.49 101.67 2.41 o 7 2 0 50.20 52.39 3.27 o 7 2 1 329.46 343.55 6.78 o 7 2 2 58.04 63.89 2.64 o 7 2 3 228.30 233.19 5.16 o 7 2 4 40.92 38.15 1.68 o 7 2 5 122.70 122.69 2.88 o 7 3 0 77.11 81.64 3.91 o 7 3 1 244.60 282.73 6.13 o 7 3 2 77.34 81.19 3.82 o 7 3 3 174.99 190.50 4.72 o 7 3 4 48.73 49.79 1.59 o 7 3 5 95.74 84.91 2.72 o 7 4 0 247.70 259.56 8.06 o 7 4 1 8.99 13.09 1.19 o 7 4 2 195.66 192.47 4.03 o 7 4 3 10.05 6.11 1.72 o 7 4 4 124.57 105.44 2.17 o 7 5 0 24.16 30.02 3.20 o 7 5 1 121.93 120.61 2.78 o 7 5 2 26.36 28.33 1.57 o 7 5 3 89.84 73.99 2.46 o 7 6 0 30.75 23.03 1.62 o 7 6 1 109.49 89.77 2.39 o 7 6 2 29.70 24.60 2.13 o 8 -13 0 115.44 85.33 2.05 o 8 -13 1 3.91 4.78 1.11 o 8 -13 2 94.70 65.98 3.31 o 8 -12 0 36.03 29.71 3.37 o 8 -12 1 95.72 93.65 2.01 o 8 -12 2 37.02 35.43 1.73 o 8 -12 3 72.04 56.77 2.19 o 8 -11 0 41.46 43.66 2.77 o 8 -11 1 159.16 156.53 2.51 o 8 -11 2 41.93 41.44 1.54 o 8 -11 3 114.53 108.18 2.86 o 8 -11 4 28.65 25.96 1.74 o 8 -10 0 259.34 276.55 7.83 o 8 -10 1 20.33 19.30 0.91 o 8 -10 2 203.38 206.03 3.60 o 8 -10 3 18.93 20.84 1.32 o 8 -10 4 131.57 133.50 3.29 o 8 -10 5 11.02 6.79 1.59 o 8 -9 0 107.19 109.26 4.38 o 8 -9 1 246.96 257.78 4.14 o 8 -9 2 106.35 108.17 2.46 o 8 -9 3 172.54 172.81 3.35 o 8 -9 4 66.53 68.43 2.24 o 8 -9 5 92.97 87.15 2.73 o 8 -8 0 172.28 198.91 6.30 o 8 -8 1 293.46 287.70 4.44 o 8 -8 2 162.22 163.88 3.09 o 8 -8 3 201.31 199.91 3.81 o 8 -8 4 93.11 95.56 2.54 o 8 -8 5 105.58 101.82 2.81 o 8 -8 6 42.07 34.99 2.94 o 8 -7 0 555.83 573.30 13.99 o 8 -7 1 33.34 30.72 1.28 o 8 -7 2 413.23 418.71 6.20 o 8 -7 3 31.81 33.18 1.53 o 8 -7 4 249.44 263.23 4.62 o 8 -7 5 17.21 16.09 1.58 o 8 -7 6 118.41 109.53 3.03 o 8 -6 0 218.39 218.12 6.75 o 8 -6 1 611.22 613.89 8.35 o 8 -6 2 206.54 209.41 4.30 o 8 -6 3 382.20 379.30 5.63 o 8 -6 4 109.51 111.92 2.63 o 8 -6 5 179.85 176.52 3.68 o 8 -6 6 46.29 46.32 2.12 o 8 -5 0 263.26 261.19 7.77 o 8 -5 1 384.88 389.42 5.89 o 8 -5 2 250.61 254.35 5.10 o 8 -5 3 265.81 267.24 4.33 o 8 -5 4 136.93 143.66 2.95 o 8 -5 5 138.67 133.64 3.10 o 8 -5 6 59.14 52.67 2.16 o 8 -4 0 1035.03 1026.70 23.19 o 8 -4 1 19.18 19.68 1.36 o 8 -4 2 741.74 757.78 12.14 o 8 -4 3 22.24 27.05 1.28 o 8 -4 4 403.02 426.62 6.28 o 8 -4 5 10.97 15.30 1.43 o 8 -4 6 174.25 186.61 3.88 o 8 -3 0 240.84 244.93 7.28 o 8 -3 1 667.76 686.82 9.35 o 8 -3 2 225.31 230.68 4.71 o 8 -3 3 409.32 422.15 6.01 o 8 -3 4 116.76 108.85 2.68 o 8 -3 5 188.75 188.24 3.78 o 8 -3 6 48.51 45.64 2.13 o 8 -2 0 153.16 168.50 5.83 o 8 -2 1 438.91 474.35 6.97 o 8 -2 2 158.16 173.08 4.00 o 8 -2 3 300.95 307.15 4.73 o 8 -2 4 93.25 99.61 2.46 o 8 -2 5 155.73 163.26 3.53 o 8 -2 6 42.86 39.44 1.90 o 8 -1 1 27.17 26.81 1.84 o 8 -1 2 668.90 659.92 11.08 o 8 -1 3 22.48 24.77 1.70 o 8 -1 4 356.22 371.74 5.68 o 8 -1 5 9.22 10.05 1.35 o 8 -1 6 152.22 135.18 3.43 o 8 0 0 171.20 190.10 6.20 o 8 0 1 293.39 321.63 6.46 o 8 0 2 162.08 178.07 4.28 o 8 0 3 199.53 199.97 4.76 o 8 0 4 92.96 92.08 2.40 o 8 0 5 104.74 101.57 2.64 o 8 0 6 41.95 29.29 2.53 o 8 1 0 95.37 95.99 4.28 o 8 1 1 306.58 334.21 6.70 o 8 1 2 94.88 105.15 3.36 o 8 1 3 212.05 223.44 5.25 o 8 1 4 58.40 65.92 2.80 o 8 1 5 111.24 109.83 2.77 o 8 2 0 373.42 400.31 10.97 o 8 2 1 26.00 28.02 2.31 o 8 2 2 282.45 291.43 8.50 o 8 2 3 20.44 20.51 2.00 o 8 2 4 163.67 166.91 4.51 o 8 2 5 9.65 6.93 1.72 o 8 3 0 76.37 89.32 4.48 o 8 3 1 110.31 115.17 3.66 o 8 3 2 72.76 77.77 4.18 o 8 3 3 84.58 85.23 3.28 o 8 3 4 45.81 38.60 2.81 o 8 4 0 59.44 66.09 4.13 o 8 4 1 115.66 123.07 3.84 o 8 4 2 54.86 58.28 3.22 o 8 4 3 83.58 67.65 3.97 o 8 5 0 112.23 109.08 5.95 o 8 5 1 8.16 7.07 1.75 o 8 5 2 91.16 76.68 6.79 o 9 -13 0 35.55 23.29 3.39 o 9 -13 1 100.37 69.30 3.20 o 9 -12 0 141.56 130.44 5.47 o 9 -12 1 6.73 8.36 1.75 o 9 -12 2 114.87 97.31 2.66 o 9 -12 3 6.77 7.66 2.24 o 9 -11 0 66.17 69.00 3.62 o 9 -11 1 159.38 155.60 4.09 o 9 -11 2 61.80 61.39 1.92 o 9 -11 3 115.89 108.91 2.84 o 9 -11 4 37.29 32.50 2.78 o 9 -10 0 56.54 62.21 3.86 o 9 -10 1 209.85 221.21 4.95 o 9 -10 2 55.27 55.97 1.77 o 9 -10 3 147.63 151.31 3.24 o 9 -10 4 34.66 35.28 1.97 o 9 -9 0 295.98 306.20 8.85 o 9 -9 1 19.17 19.34 1.74 o 9 -9 2 231.01 229.00 3.98 o 9 -9 3 17.48 18.81 1.38 o 9 -9 4 147.60 151.61 3.52 o 9 -9 5 10.15 9.63 1.71 o 9 -8 0 96.75 104.04 4.62 o 9 -8 1 305.16 314.82 6.30 o 9 -8 2 96.73 99.75 2.44 o 9 -8 3 209.72 213.70 4.58 o 9 -8 4 59.66 61.47 2.19 o 9 -8 5 110.25 106.23 3.02 o 9 -7 0 52.35 51.25 3.25 o 9 -7 1 326.45 327.01 5.07 o 9 -7 2 59.05 59.08 1.96 o 9 -7 3 226.69 231.88 4.89 o 9 -7 4 41.49 35.77 1.76 o 9 -7 5 120.98 120.37 3.17 o 9 -7 6 22.24 19.16 2.82 o 9 -6 0 462.10 492.78 12.57 o 9 -6 1 22.33 22.81 1.29 o 9 -6 2 347.80 365.75 5.77 o 9 -6 3 25.95 27.82 1.64 o 9 -6 4 212.72 217.15 4.21 o 9 -6 5 15.49 15.92 1.75 o 9 -6 6 102.41 93.93 4.19 o 9 -5 0 102.32 99.00 4.51 o 9 -5 1 348.49 367.31 5.70 o 9 -5 2 109.49 105.73 3.07 o 9 -5 3 238.43 249.26 4.99 o 9 -5 4 71.41 74.53 2.28 o 9 -5 5 124.83 127.67 3.30 o 9 -5 6 35.42 32.16 2.12 o 9 -4 0 78.19 82.07 3.87 o 9 -4 1 371.65 398.40 6.07 o 9 -4 2 86.12 85.22 2.61 o 9 -4 3 253.95 268.37 5.47 o 9 -4 4 58.45 57.06 2.11 o 9 -4 5 131.86 134.76 3.26 o 9 -4 6 30.04 26.48 1.93 o 9 -3 0 430.14 444.76 11.63 o 9 -3 1 36.90 36.66 2.04 o 9 -3 2 325.41 241.69 5.25 o 9 -3 3 34.74 36.12 2.21 o 9 -3 4 202.62 209.39 3.97 o 9 -3 5 19.10 21.67 1.72 o 9 -3 6 98.95 86.75 3.74 o 9 -2 0 111.31 124.90 5.05 o 9 -2 1 315.93 351.89 6.76 o 9 -2 2 113.87 115.69 3.39 o 9 -2 3 218.94 231.10 5.26 o 9 -2 4 71.54 73.28 2.28 o 9 -2 5 115.68 117.93 2.98 o 9 -2 6 34.57 43.17 3.44 o 9 -1 0 107.75 110.54 4.67 o 9 -1 1 248.77 267.66 5.73 o 9 -1 2 106.18 114.65 3.46 o 9 -1 3 175.06 166.80 4.29 o 9 -1 4 66.38 67.45 2.14 o 9 -1 5 93.95 86.41 2.65 o 9 0 0 293.68 313.15 8.98 o 9 0 1 16.95 22.67 2.00 o 9 0 2 229.96 245.77 5.79 o 9 0 3 16.12 20.33 1.93 o 9 0 4 147.99 152.20 4.21 o 9 0 5 9.57 9.88 1.41 o 9 1 0 83.41 89.97 4.43 o 9 1 1 221.93 258.53 6.28 o 9 1 2 78.79 86.60 4.41 o 9 1 3 155.01 166.95 4.61 o 9 1 4 47.30 47.23 2.59 o 9 2 0 55.62 50.66 3.75 o 9 2 1 111.65 124.20 4.16 o 9 2 2 53.52 62.94 3.11 o 9 2 3 84.41 92.45 3.82 o 9 2 4 34.55 28.40 2.95 o 9 3 0 170.66 160.93 6.36 o 9 3 1 3.14 5.55 2.06 < 9 3 2 138.03 140.43 4.51 o 9 3 3 3.51 6.94 4.03 < 9 4 0 34.79 32.24 3.93 o 9 4 1 88.88 77.86 3.57 o 10 -12 0 38.65 39.75 4.17 o 10 -12 1 74.85 66.89 3.25 o 10 -12 2 36.52 29.94 1.53 o 10 -11 0 202.94 195.73 6.80 o 10 -11 1 11.95 12.13 1.78 o 10 -11 2 159.29 152.75 3.47 o 10 -11 3 9.57 9.27 1.48 o 10 -10 0 33.23 35.71 3.05 o 10 -10 1 164.66 172.55 4.32 o 10 -10 2 34.32 36.03 1.64 o 10 -10 3 117.53 117.41 3.12 o 10 -10 4 23.69 21.04 2.08 o 10 -9 0 81.12 83.25 4.21 o 10 -9 1 223.72 234.20 5.31 o 10 -9 2 76.40 75.53 2.19 o 10 -9 3 157.25 164.39 3.54 o 10 -9 4 45.67 43.83 2.29 o 10 -8 0 374.46 397.94 10.91 o 10 -8 1 25.70 29.81 1.96 o 10 -8 2 283.09 263.66 4.60 o 10 -8 3 20.22 23.24 1.56 o 10 -8 4 164.07 177.99 4.11 o 10 -8 5 9.54 5.45 1.82 < 10 -7 0 78.99 80.50 4.14 o 10 -7 1 244.50 261.26 5.71 o 10 -7 2 79.35 87.27 2.39 o 10 -7 3 173.75 184.21 4.38 o 10 -7 4 49.90 51.51 2.29 o 10 -7 5 95.24 85.75 3.09 o 10 -6 0 122.49 133.21 5.33 o 10 -6 1 376.06 402.08 7.80 o 10 -6 2 112.82 122.03 2.94 o 10 -6 3 247.64 268.64 5.77 o 10 -6 4 62.67 66.52 2.38 o 10 -6 5 122.57 113.92 3.13 o 10 -5 0 369.39 381.62 10.76 o 10 -5 1 32.53 40.00 2.58 o 10 -5 2 279.38 292.20 5.00 o 10 -5 3 28.28 28.94 2.00 o 10 -5 4 168.03 173.58 3.82 o 10 -5 5 14.72 11.57 1.65 o 10 -4 0 105.45 115.57 4.47 o 10 -4 1 282.59 270.11 5.78 o 10 -4 2 101.62 111.27 2.88 o 10 -4 3 197.46 205.22 4.90 o 10 -4 4 59.85 63.53 2.93 o 10 -4 5 105.92 104.18 2.93 o 10 -3 0 88.76 95.73 4.89 o 10 -3 1 301.64 331.64 7.31 o 10 -3 2 83.47 90.09 3.25 o 10 -3 3 201.60 209.65 4.97 o 10 -3 4 48.35 52.53 2.80 o 10 -3 5 102.75 88.37 2.68 o 10 -2 0 259.97 283.62 9.12 o 10 -2 1 22.39 22.18 2.11 o 10 -2 2 203.42 220.40 5.63 o 10 -2 3 20.23 21.78 1.97 o 10 -2 4 130.82 135.88 4.13 o 10 -2 5 11.60 12.42 1.66 o 10 -1 0 57.00 68.90 3.99 o 10 -1 1 210.83 221.46 5.74 o 10 -1 2 56.07 71.11 3.45 o 10 -1 3 147.62 157.26 4.50 o 10 -1 4 35.25 33.40 2.47 o 10 0 0 34.12 40.40 3.31 o 10 0 1 163.23 184.72 5.13 o 10 0 2 34.72 40.65 2.75 o 10 0 3 116.86 121.93 3.97 o 10 0 4 23.83 20.55 2.35 o 10 1 0 147.29 145.90 6.21 o 10 1 1 6.94 10.02 1.92 o 10 1 2 119.70 134.83 4.31 o 10 1 3 7.73 9.48 3.17 < 10 2 0 25.80 25.01 3.42 o 10 2 1 96.23 77.21 3.53 o 10 2 2 25.66 27.41 2.56 o 11 -12 0 34.26 27.34 3.52 o 11 -12 1 53.41 41.18 2.88 o 11 -11 0 30.84 32.06 4.19 o 11 -11 1 88.01 81.88 3.47 o 11 -11 2 30.76 28.80 2.42 o 11 -10 0 144.70 154.63 5.99 o 11 -10 1 6.73 6.70 1.67 o 11 -10 2 117.70 117.96 4.18 o 11 -10 3 7.69 5.05 1.51 o 11 -9 0 55.94 64.03 4.49 o 11 -9 1 112.56 113.39 3.66 o 11 -9 2 53.91 55.91 2.01 o 11 -9 3 84.30 83.25 2.74 o 11 -9 4 34.62 31.21 3.25 o 11 -8 0 75.33 90.37 4.67 o 11 -8 1 110.23 123.66 3.74 o 11 -8 2 71.80 78.82 2.45 o 11 -8 3 85.50 93.97 2.78 o 11 -8 4 45.51 42.71 2.69 o 11 -7 0 244.97 248.08 8.12 o 11 -7 1 8.95 13.07 1.80 o 11 -7 2 193.49 206.00 4.02 o 11 -7 3 10.12 11.32 1.60 o 11 -7 4 123.48 120.12 3.84 o 11 -6 0 50.38 84.32 4.65 o 11 -6 1 189.85 217.13 5.29 o 11 -6 2 50.34 56.85 2.11 o 11 -6 3 134.29 137.22 3.74 o 11 -6 4 32.52 29.84 2.17 o 11 -5 0 85.77 98.93 4.72 o 11 -5 1 142.65 154.67 4.37 o 11 -5 2 80.94 91.48 2.84 o 11 -5 3 109.53 117.64 3.77 o 11 -5 4 49.20 50.59 2.42 o 11 -4 0 312.18 312.77 9.71 o 11 -4 1 10.44 13.91 2.26 o 11 -4 2 242.10 284.00 5.50 o 11 -4 3 9.52 9.15 1.78 o 11 -4 4 145.69 152.55 4.47 o 11 -3 0 40.31 42.29 3.57 o 11 -3 1 159.80 176.12 4.92 o 11 -3 2 41.31 53.77 3.20 o 11 -3 3 114.70 120.08 3.82 o 11 -3 4 28.37 25.94 2.17 o 11 -2 0 63.31 73.85 4.78 o 11 -2 1 159.97 147.40 4.75 o 11 -2 2 59.15 65.81 3.30 o 11 -2 3 117.30 118.70 4.03 o 11 -2 4 35.69 34.11 3.22 o 11 -1 0 202.41 221.40 8.07 o 11 -1 1 12.11 11.09 1.99 o 11 -1 2 158.87 165.29 4.93 o 11 -1 3 9.70 11.31 2.10 o 11 0 0 30.89 42.05 3.68 o 11 0 1 87.11 90.18 3.77 o 11 0 2 30.97 28.94 2.51 o 11 1 0 37.31 43.89 4.10 o 11 1 1 98.37 83.82 3.99 o 12 -11 0 38.16 39.08 3.93 o 12 -11 1 97.85 82.23 4.08 o 12 -10 0 26.25 26.44 3.44 o 12 -10 1 96.29 91.87 3.66 o 12 -10 2 25.82 27.31 2.77 o 12 -9 0 172.09 181.91 7.13 o 12 -9 1 3.50 5.89 1.94 o 12 -9 2 139.04 142.21 4.48 o 12 -9 3 3.71 6.18 2.12 < 12 -8 0 59.52 61.63 4.18 o 12 -8 1 114.80 124.82 3.90 o 12 -8 2 55.18 62.16 2.42 o 12 -8 3 82.31 76.64 2.87 o 12 -7 0 25.13 32.51 3.74 o 12 -7 1 123.02 135.74 4.05 o 12 -7 2 26.87 32.97 2.00 o 12 -7 3 90.56 90.70 3.00 o 12 -6 0 188.69 199.68 7.29 o 12 -6 1 6.75 7.68 1.83 o 12 -6 2 151.00 165.06 4.86 o 12 -6 3 7.00 6.33 1.81 o 12 -5 0 61.38 71.66 4.80 o 12 -5 1 92.52 103.89 3.93 o 12 -5 2 57.99 69.59 3.39 o 12 -5 3 69.86 71.29 2.76 o 12 -4 0 36.65 53.92 4.44 o 12 -4 1 97.71 107.96 4.12 o 12 -4 2 37.31 33.73 2.58 o 12 -4 3 73.60 70.93 2.74 o 12 -3 0 140.56 140.88 6.27 o 12 -3 1 6.33 6.13 2.26 < 12 -3 2 114.21 118.57 3.99 o 12 -3 3 6.53 9.87 2.20 o 12 -2 0 39.58 47.01 4.20 o 12 -2 1 75.14 85.32 3.45 o 12 -2 2 37.34 32.78 2.91 o 12 -1 0 34.03 35.89 3.79 o 12 -1 1 54.09 53.46 3.23 o 13 -9 0 34.43 32.49 3.96 o 13 -9 1 88.89 80.26 3.90 o 13 -8 0 112.79 117.61 6.12 o 13 -8 1 7.61 8.12 2.38 o 13 -8 2 91.78 91.34 4.13 o 13 -7 0 31.76 32.38 3.76 o 13 -7 1 107.91 108.44 4.02 o 13 -7 2 30.79 26.82 2.64 o 13 -6 0 37.98 51.48 4.14 o 13 -6 1 102.99 106.14 3.85 o 13 -6 2 34.43 31.24 2.61 o 13 -5 0 115.49 115.27 5.73 o 13 -5 1 3.86 5.21 2.41 < 13 -5 2 94.77 80.65 3.48 o 13 -4 0 36.22 44.21 4.11 o 13 -4 1 99.53 98.84 3.87 o data_Ih _database_code_depnum_ccdc_archive 'CCDC 872709' #TrackingRef '- nandf4_ambient_pressure.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Na1.5 Nd1.5' _chemical_formula_weight 364.8 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 6.1090(7) _cell_length_b 6.1090(7) _cell_length_c 3.7160(5) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 120.10(3) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.0426 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 160 _exptl_absorpt_coefficient_mu 3.388 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type Cylindrical _exptl_absorpt_process_details 'Jana2006 (Petricek, Dusek & Palatinus, 2000)' _exptl_absorpt_correction_T_min 0.7525 _exptl_absorpt_correction_T_max 0.8952 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.3978 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 2581 _diffrn_reflns_theta_min 2.15 _diffrn_reflns_theta_max 25.87 _diffrn_reflns_theta_full 25.87 _diffrn_measured_fraction_theta_max 0.96 _diffrn_measured_fraction_theta_full 0.97 _diffrn_reflns_av_R_equivalents 0.0303 _diffrn_reflns_av_sigmaI/netI 0.0813 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -7 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 922 _reflns_number_gt 915 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0230 _refine_ls_wR_factor_gt 0.0327 _refine_ls_R_factor_all 0.0231 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 0.79 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 922 _refine_ls_number_parameters 21 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0259 _refine_ls_shift/su_mean 0.0082 _refine_diff_density_max 0.68 _refine_diff_density_min -0.51 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 3200(500) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0031 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0087 0.0073 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Nd -1.0685 1.0969 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Nd1 Nd 0 0 0 Uani 0.00916(5) 1 1 d . . . Na1 Na 0.333333 0.666667 0.648(3) Uani 0.037(2) 2 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.00966(9) 1 0.5 d . . . Nd2 Nd 0.666667 0.333333 0.5 Uani 0.00966(9) 1 0.5 d . . . F1 F 0.6350(6) 0.0430(6) 0 Uani 0.0256(10) 3 1 d . . . F2 F 0.7335(4) 0.7553(4) 0.5 Uani 0.0146(5) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Nd1 Nd 0.00948(6) 0.00948(6) 0.00853(8) 0.00474(3) 0 0 Na1 Na 0.0174(11) 0.0174(11) 0.077(6) 0.0087(5) 0 0 Na2 Na 0.00904(10) 0.00904(10) 0.01092(16) 0.00452(5) 0 0 Nd2 Nd 0.00904(10) 0.00904(10) 0.01092(16) 0.00452(5) 0 0 F1 F 0.0146(8) 0.0192(10) 0.045(2) 0.0100(7) 0 0 F2 F 0.0140(6) 0.0122(6) 0.0156(8) 0.0052(5) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Nd1 F1 . 1_455 2.372(4) ? Nd1 F1 . 2_545 2.372(5) ? Nd1 F1 . 3_665 2.372(3) ? Nd1 F2 . 1_444 2.4297(12) ? Nd1 F2 . 1_445 2.4297(12) ? Nd1 F2 . 2_654 2.430(2) ? Nd1 F2 . 2_655 2.430(2) ? Nd1 F2 . 3_564 2.4297(19) ? Nd1 F2 . 3_565 2.4297(19) ? Na1 F1 . 1_566 2.480(7) ? Na1 F1 . 2_556 2.480(7) ? Na1 F1 . 3_666 2.480(7) ? Na1 F2 . . 2.291(4) ? Na1 F2 . 2_665 2.291(5) ? Na1 F2 . 3_565 2.291(3) ? Na2 F1 . . 2.509(3) ? Na2 F1 . 1_556 2.509(3) ? Na2 F1 . 2_655 2.509(2) ? Na2 F1 . 2_656 2.509(2) ? Na2 F1 . 3_665 2.509(4) ? Na2 F1 . 3_666 2.509(4) ? Na2 F2 . . 2.400(3) ? Na2 F2 . 2_655 2.400(2) ? Na2 F2 . 3_665 2.400(4) ? Nd2 F1 . . 2.509(3) ? Nd2 F1 . 1_556 2.509(3) ? Nd2 F1 . 2_655 2.509(2) ? Nd2 F1 . 2_656 2.509(2) ? Nd2 F1 . 3_665 2.509(4) ? Nd2 F1 . 3_666 2.509(4) ? Nd2 F2 . . 2.400(3) ? Nd2 F2 . 2_655 2.400(2) ? Nd2 F2 . 3_665 2.400(4) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 0 3 170.74 173.59 21.21 o 1 -1 0 1400.39 1625.06 138.74 o 1 -1 1 2556.16 2603.59 157.31 o 1 -1 2 1358.60 1429.53 86.40 o 1 -1 3 1390.93 1400.26 119.62 o 1 -1 4 506.77 514.00 44.14 o 1 -1 5 545.11 555.49 67.44 o 1 0 0 1398.70 1574.57 134.48 o 1 0 1 2719.75 2871.43 346.42 o 1 0 2 1368.57 1410.34 120.59 o 1 0 3 1409.16 1344.31 162.38 o 1 0 4 501.17 497.70 60.39 o 1 0 5 547.01 541.35 46.51 o 1 1 0 3453.59 3344.78 403.51 o 1 1 1 764.83 840.35 58.71 o 1 1 2 2145.58 2038.41 142.09 o 1 1 3 321.89 343.86 29.65 o 1 1 4 1044.41 980.63 83.92 o 1 1 5 98.27 97.37 8.63 o 1 1 6 380.77 398.70 34.45 o 2 -3 0 1452.04 1493.05 127.70 o 2 -3 1 3352.74 3458.49 208.77 o 2 -3 2 1252.24 1249.95 75.64 o 2 -3 3 1641.28 1626.60 98.33 o 2 -3 4 451.74 427.73 30.14 o 2 -3 5 578.17 607.71 52.33 o 2 -3 6 139.73 146.67 12.93 o 2 -3 7 178.49 185.81 23.00 o 2 -2 0 1099.38 1159.46 99.19 o 2 -2 1 4049.54 4185.53 252.62 o 2 -2 2 1036.05 1064.51 64.43 o 2 -2 3 1911.34 1900.69 114.82 o 2 -2 4 399.79 393.27 34.05 o 2 -2 5 641.89 658.25 56.63 o 2 -2 6 128.61 131.02 16.46 o 2 -1 0 3457.09 3560.49 429.42 o 2 -1 1 810.36 844.47 59.05 o 2 -1 2 2150.98 2061.00 124.53 o 2 -1 3 339.18 342.87 41.71 o 2 -1 4 1046.88 1047.71 89.90 o 2 -1 5 103.41 107.33 13.87 o 2 -1 6 376.79 415.40 50.86 o 2 0 0 1100.59 1090.38 93.32 o 2 0 1 3905.39 4081.28 284.31 o 2 0 2 1050.39 1061.41 90.81 o 2 0 3 1882.32 1856.30 158.62 o 2 0 4 405.67 368.38 44.80 o 2 0 5 635.16 662.10 80.19 o 2 0 6 131.16 133.32 11.84 o 2 1 0 272.67 211.23 26.10 o 2 1 1 2643.21 2700.86 188.27 o 2 1 2 345.26 328.47 23.15 o 2 1 3 1385.60 1310.65 91.51 o 2 1 4 229.82 213.41 18.57 o 2 1 5 528.63 510.33 43.87 o 2 1 6 94.30 94.83 8.53 o 2 1 7 169.94 185.34 16.47 o 2 2 0 2757.77 2772.81 237.12 o 2 2 1 169.96 156.09 9.77 o 2 2 2 1717.06 1629.74 98.61 o 2 2 3 178.60 172.96 10.77 o 2 2 4 842.42 811.03 49.21 o 2 2 5 70.65 68.99 5.24 o 2 2 6 313.54 335.89 29.22 o 2 2 7 28.59 31.08 3.55 o 3 -5 0 331.89 330.72 28.78 o 3 -5 1 1633.66 1615.39 97.80 o 3 -5 2 395.98 392.25 24.09 o 3 -5 3 914.64 877.00 53.32 o 3 -5 4 212.72 198.45 12.40 o 3 -5 5 378.34 384.57 27.29 o 3 -5 6 83.55 85.61 6.55 o 3 -5 7 129.63 129.31 11.98 o 3 -4 0 1047.90 1048.60 89.92 o 3 -4 1 1206.75 1206.37 73.11 o 3 -4 2 960.22 959.59 58.26 o 3 -4 3 785.77 723.73 44.06 o 3 -4 4 395.57 384.68 23.57 o 3 -4 5 356.18 364.32 25.86 o 3 -4 6 133.94 142.74 12.85 o 3 -4 7 126.07 125.13 11.46 o 3 -3 0 4973.89 5098.73 435.08 o 3 -3 1 218.75 205.59 12.78 o 3 -3 2 3011.37 2944.90 177.96 o 3 -3 3 180.79 179.28 11.19 o 3 -3 4 1206.62 1178.01 71.45 o 3 -3 5 59.00 49.79 4.88 o 3 -3 6 399.16 439.35 38.07 o 3 -3 7 22.87 22.30 4.49 o 3 -2 0 229.63 258.70 31.82 o 3 -2 1 2780.14 2750.52 191.93 o 3 -2 2 331.85 332.41 23.50 o 3 -2 3 1402.21 1385.84 83.93 o 3 -2 4 225.94 215.95 15.50 o 3 -2 5 535.01 566.07 48.80 o 3 -2 6 93.04 103.88 13.79 o 3 -2 7 172.03 198.16 25.00 o 3 -1 0 1423.35 1468.05 125.51 o 3 -1 1 3396.07 3499.09 243.81 o 3 -1 2 1226.27 1245.40 87.07 o 3 -1 3 1663.26 1675.43 116.94 o 3 -1 4 440.98 438.56 53.38 o 3 -1 5 586.70 659.86 80.59 o 3 -1 6 135.87 159.71 20.51 o 3 -1 7 181.00 196.40 17.47 o 3 0 0 4974.92 4840.23 413.06 o 3 0 1 213.42 208.55 14.90 o 3 0 2 2956.98 2774.43 193.80 o 3 0 3 178.33 180.27 15.70 o 3 0 4 1201.96 1158.42 99.17 o 3 0 5 58.29 55.84 7.15 o 3 0 7 22.66 24.33 3.25 o 3 1 0 476.86 448.76 54.79 o 3 1 1 1787.83 1725.66 147.66 o 3 1 2 572.15 570.28 40.06 o 3 1 3 1008.10 969.57 67.81 o 3 1 4 290.75 280.36 24.36 o 3 1 5 415.91 430.49 52.73 o 3 1 6 108.41 118.29 10.64 o 3 1 7 140.74 146.87 11.01 o 3 2 0 922.44 897.90 77.03 o 3 2 1 2680.22 2610.93 182.18 o 3 2 2 806.59 784.16 55.00 o 3 2 3 1349.22 1306.96 91.44 o 3 2 4 319.43 315.57 19.38 o 3 2 5 486.83 496.45 35.02 o 3 2 6 103.18 108.40 9.99 o 3 2 7 154.16 143.95 13.14 o 3 3 0 1726.81 1606.07 137.43 o 3 3 1 138.46 122.65 7.90 o 3 3 2 1129.89 1073.03 65.11 o 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299.56 18.69 o 7 3 2 97.17 100.14 6.76 o 7 3 3 201.54 199.62 12.66 o 7 3 4 58.75 57.77 4.31 o 7 3 5 106.26 97.55 8.24 o 7 4 0 298.50 302.70 26.73 o 7 4 1 16.07 17.34 2.22 o 7 4 2 229.74 225.30 14.20 o 7 4 3 16.71 15.32 2.04 o 7 4 4 140.86 120.39 8.11 o 7 5 0 31.46 34.57 4.51 o 7 5 1 145.89 147.63 9.68 o 7 5 2 34.31 34.22 3.22 o 7 5 3 105.26 94.31 6.70 o 7 6 0 41.50 35.89 4.90 o 7 6 1 131.06 111.19 7.63 o 8 -13 0 144.06 118.25 11.55 o 8 -13 1 6.46 5.83 3.25 < 8 -12 0 48.60 52.12 5.92 o 8 -12 1 112.79 115.45 7.82 o 8 -12 2 49.28 44.96 3.93 o 8 -12 3 83.39 72.44 7.80 o 8 -11 0 54.77 60.89 6.64 o 8 -11 1 193.37 202.64 13.02 o 8 -11 2 54.63 58.40 4.53 o 8 -11 3 135.39 130.07 8.75 o 8 -11 4 35.83 27.66 3.58 o 8 -10 0 312.13 319.05 28.42 o 8 -10 1 26.88 30.63 2.95 o 8 -10 2 239.21 249.53 15.87 o 8 -10 3 25.25 28.61 2.98 o 8 -10 4 149.95 145.47 9.76 o 8 -9 0 144.01 150.37 14.13 o 8 -9 1 289.50 312.87 19.59 o 8 -9 2 139.46 145.16 9.64 o 8 -9 3 196.46 213.57 13.71 o 8 -9 4 82.35 83.96 6.06 o 8 -9 5 102.08 98.81 7.41 o 8 -8 0 212.30 219.13 19.75 o 8 -8 1 340.99 349.32 21.82 o 8 -8 2 197.88 218.34 14.01 o 8 -8 3 229.39 240.70 15.34 o 8 -8 4 109.34 115.73 7.95 o 8 -8 5 116.86 114.12 7.89 o 8 -7 0 667.02 677.34 58.79 o 8 -7 1 42.37 44.30 3.63 o 8 -7 2 483.43 490.08 30.33 o 8 -7 3 41.97 48.74 3.94 o 8 -7 4 279.50 312.42 19.70 o 8 -7 5 21.89 25.50 2.97 o 8 -7 6 126.38 104.65 8.86 o 8 -6 0 262.57 256.40 23.02 o 8 -6 1 719.91 723.99 44.37 o 8 -6 2 245.95 245.59 15.59 o 8 -6 3 435.50 456.70 28.35 o 8 -6 4 126.35 131.03 8.85 o 8 -6 5 195.71 209.62 13.59 o 8 -6 6 50.88 43.90 4.18 o 8 -5 0 310.54 330.74 29.38 o 8 -5 1 456.61 471.81 29.20 o 8 -5 2 293.10 311.52 19.61 o 8 -5 3 306.39 314.75 19.83 o 8 -5 4 155.27 168.51 11.09 o 8 -5 5 153.59 164.49 10.87 o 8 -5 6 63.72 61.73 5.79 o 8 -4 0 1246.42 1189.15 144.89 o 8 -4 1 29.80 28.64 3.88 o 8 -4 2 868.49 886.34 62.53 o 8 -4 3 33.20 32.79 3.51 o 8 -4 4 449.11 506.46 31.38 o 8 -4 5 15.87 17.41 2.59 o 8 -4 6 182.93 181.91 11.81 o 8 -3 0 279.56 302.01 38.02 o 8 -3 1 776.02 783.69 67.83 o 8 -3 2 261.08 269.22 24.19 o 8 -3 3 462.45 470.37 41.19 o 8 -3 4 132.36 129.81 10.09 o 8 -3 5 205.07 217.66 19.76 o 8 -3 6 52.79 49.41 4.86 o 8 -2 0 178.38 190.25 24.67 o 8 -2 1 543.23 538.58 47.09 o 8 -2 2 183.69 190.59 17.54 o 8 -2 3 357.35 389.28 48.59 o 8 -2 4 105.85 117.39 16.15 o 8 -2 5 174.70 185.57 16.62 o 8 -2 6 46.78 40.44 4.28 o 8 -1 0 1072.71 1030.27 88.74 o 8 -1 1 38.76 39.45 3.75 o 8 -1 2 755.60 762.16 65.93 o 8 -1 3 33.36 33.63 5.33 o 8 -1 4 388.08 427.96 52.51 o 8 -1 5 14.19 13.47 2.88 o 8 -1 6 158.32 131.90 12.34 o 8 0 0 211.01 218.68 27.42 o 8 0 1 341.75 325.04 28.39 o 8 0 2 197.95 192.30 17.13 o 8 0 3 227.00 228.88 28.74 o 8 0 4 109.27 111.46 10.30 o 8 0 5 115.90 115.41 10.70 o 8 1 0 111.19 110.28 14.23 o 8 1 1 362.84 363.54 31.84 o 8 1 2 111.30 114.34 10.67 o 8 1 3 244.43 243.34 17.54 o 8 1 4 67.46 72.94 7.12 o 8 1 5 123.01 117.12 11.03 o 8 2 0 423.50 413.66 50.96 o 8 2 1 36.69 35.31 3.36 o 8 2 2 314.52 334.98 24.03 o 8 2 3 29.90 27.07 2.90 o 8 2 4 178.79 174.28 11.12 o 8 3 0 94.08 98.91 9.45 o 8 3 1 133.82 142.68 9.32 o 8 3 2 89.48 91.88 6.21 o 8 3 3 99.53 93.90 6.45 o 8 3 4 54.26 46.12 3.88 o 8 4 0 68.69 67.93 6.93 o 8 4 1 129.74 126.30 8.39 o 8 4 2 64.45 63.48 4.72 o 8 4 3 93.34 83.01 8.56 o 8 5 0 134.95 123.46 11.76 o 8 5 1 12.93 13.58 2.98 o 9 -13 0 44.25 38.54 7.80 o 9 -12 0 163.00 162.66 15.09 o 9 -12 1 10.71 10.04 2.23 o 9 -12 2 129.70 117.77 8.22 o 9 -11 0 77.68 84.32 8.79 o 9 -11 1 197.48 202.45 13.08 o 9 -11 2 73.51 74.41 5.58 o 9 -11 3 138.50 135.82 9.27 o 9 -10 0 66.79 76.70 8.11 o 9 -10 1 236.63 253.83 16.25 o 9 -10 2 66.33 70.26 5.28 o 9 -10 3 164.21 181.66 11.90 o 9 -10 4 41.60 38.46 3.73 o 9 -9 0 360.85 377.17 33.49 o 9 -9 1 24.98 23.64 2.74 o 9 -9 2 274.78 282.61 17.92 o 9 -9 3 23.51 23.94 2.98 o 9 -9 4 168.95 180.37 11.90 o 9 -9 5 13.23 10.91 4.08 < 9 -8 0 112.62 111.46 10.97 o 9 -8 1 360.15 374.48 23.33 o 9 -8 2 113.64 121.64 8.32 o 9 -8 3 240.88 260.53 16.62 o 9 -8 4 69.06 74.63 5.67 o 9 -8 5 121.68 117.31 8.32 o 9 -7 0 65.03 65.17 6.94 o 9 -7 1 379.84 400.30 24.94 o 9 -7 2 72.68 79.15 5.76 o 9 -7 3 257.22 280.92 17.88 o 9 -7 4 50.11 49.27 4.36 o 9 -7 5 132.29 133.98 9.33 o 9 -6 0 563.03 599.05 52.25 o 9 -6 1 30.92 31.76 3.18 o 9 -6 2 413.67 427.75 26.63 o 9 -6 3 34.62 35.60 3.48 o 9 -6 4 242.88 256.25 16.50 o 9 -6 5 19.40 20.13 2.87 o 9 -5 0 127.24 130.89 12.60 o 9 -5 1 394.63 402.26 25.28 o 9 -5 2 134.71 141.57 9.49 o 9 -5 3 264.24 283.61 18.07 o 9 -5 4 85.10 95.50 6.98 o 9 -5 5 134.25 142.24 9.76 o 9 -5 6 40.42 39.62 11.87 o 9 -4 0 108.14 109.36 15.05 o 9 -4 1 436.38 444.75 39.04 o 9 -4 2 114.60 115.50 11.27 o 9 -4 3 289.69 287.18 21.04 o 9 -4 4 73.03 77.99 6.79 o 9 -4 5 144.23 158.95 12.45 o 9 -4 6 35.31 30.62 9.27 o 9 -3 0 512.13 511.21 63.50 o 9 -3 1 49.64 49.58 6.06 o 9 -3 2 377.95 384.73 34.09 o 9 -3 3 45.67 50.32 6.04 o 9 -3 4 226.98 250.31 22.79 o 9 -3 5 23.68 24.27 4.73 o 9 -2 0 136.19 132.59 18.03 o 9 -2 1 374.64 398.91 35.33 o 9 -2 2 138.13 153.13 14.50 o 9 -2 3 251.15 282.49 36.09 o 9 -2 5 127.09 132.72 12.30 o 9 -1 0 144.84 154.67 19.71 o 9 -1 1 291.06 286.27 25.10 o 9 -1 2 139.10 141.00 18.10 o 9 -1 3 199.46 201.41 25.49 o 9 -1 4 82.08 80.37 11.16 o 9 -1 5 103.26 89.45 11.89 o 9 0 0 357.50 336.67 41.44 o 9 0 1 21.95 24.52 3.43 o 9 0 2 272.92 274.99 24.25 o 9 0 3 21.68 24.58 4.72 o 9 0 4 168.97 172.34 15.57 o 9 0 5 12.48 17.47 5.40 o 9 1 0 97.63 98.44 13.11 o 9 1 1 271.08 275.77 24.38 o 9 1 2 92.85 94.24 7.30 o 9 1 3 182.68 189.48 13.84 o 9 1 4 54.49 53.10 5.68 o 9 2 0 69.26 69.37 6.88 o 9 2 1 139.52 141.66 10.60 o 9 2 2 66.53 63.69 5.25 o 9 2 3 101.90 96.19 7.49 o 9 3 0 209.47 192.78 17.30 o 9 3 1 5.44 5.07 1.55 o 9 3 2 165.43 147.44 9.67 o 9 4 0 45.00 39.72 6.78 o 10 -12 0 44.21 42.39 5.27 o 10 -12 1 93.99 79.26 6.05 o 10 -12 2 42.56 38.10 5.90 o 10 -11 0 240.73 250.98 22.90 o 10 -11 1 19.74 21.96 2.75 o 10 -11 2 184.95 181.10 11.87 o 10 -11 3 15.99 14.11 3.61 o 10 -10 0 40.59 43.05 5.76 o 10 -10 1 190.69 202.40 13.21 o 10 -10 2 42.47 44.33 4.05 o 10 -10 3 133.69 129.29 9.00 o 10 -10 4 29.02 27.78 4.87 o 10 -9 0 95.14 105.15 10.53 o 10 -9 1 273.55 293.26 18.68 o 10 -9 2 90.00 102.98 7.30 o 10 -9 3 185.86 187.52 12.38 o 10 -9 4 52.54 56.22 4.92 o 10 -8 0 425.57 482.43 42.81 o 10 -8 1 36.08 38.91 3.72 o 10 -8 2 316.27 348.08 21.95 o 10 -8 3 29.46 29.69 3.28 o 10 -8 4 179.76 183.84 12.21 o 10 -8 5 13.98 9.67 6.57 < 10 -7 0 100.90 113.87 11.39 o 10 -7 1 289.84 312.03 19.74 o 10 -7 2 100.46 105.33 7.55 o 10 -7 3 200.12 218.32 14.20 o 10 -7 4 60.54 63.82 5.28 o 10 -7 5 105.68 97.14 8.80 o 10 -6 0 143.87 151.42 14.55 o 10 -6 1 434.03 461.02 28.68 o 10 -6 2 133.26 154.60 10.40 o 10 -6 3 279.48 297.42 18.99 o 10 -6 4 72.72 82.08 6.28 o 10 -6 5 132.99 124.08 9.02 o 10 -5 0 427.33 443.52 55.30 o 10 -5 1 42.55 43.24 4.55 o 10 -5 2 317.42 331.66 24.18 o 10 -5 3 37.48 39.38 3.77 o 10 -5 4 186.79 198.82 13.18 o 10 -5 5 19.05 17.81 3.28 o 10 -4 0 129.63 138.43 18.80 o 10 -4 1 335.69 352.05 31.38 o 10 -4 2 124.78 130.77 12.68 o 10 -4 3 227.80 237.36 17.82 o 10 -4 4 71.18 75.79 6.80 o 10 -4 5 117.32 114.66 10.02 o 10 -3 0 99.91 103.99 14.85 o 10 -3 1 339.26 354.46 31.58 o 10 -3 2 95.67 106.26 10.76 o 10 -3 3 223.77 242.77 22.38 o 10 -3 4 55.69 63.79 10.64 o 10 -3 5 111.40 101.59 15.16 o 10 -2 0 314.17 302.27 38.90 o 10 -2 1 29.94 28.10 6.38 o 10 -2 2 239.97 246.05 31.79 o 10 -1 0 67.18 71.42 9.70 o 10 -1 1 237.82 236.81 29.72 o 10 -1 2 67.30 70.45 9.77 o 10 -1 3 163.86 174.30 22.19 o 10 -1 4 42.25 36.08 4.21 o 10 0 0 42.04 41.63 6.23 o 10 0 1 188.30 204.91 18.42 o 10 0 2 43.11 43.86 6.81 o 10 0 3 132.68 137.61 12.59 o 10 0 4 29.30 26.40 5.55 o 10 1 0 175.72 178.77 22.71 o 10 1 1 11.45 9.64 2.30 o 10 1 2 139.49 131.67 9.83 o 10 1 3 12.39 10.45 2.97 o 10 2 0 31.27 32.15 4.07 o 10 2 1 109.62 92.08 6.31 o 10 2 2 31.81 30.84 4.32 o 11 -12 0 43.57 37.59 8.37 o 11 -11 0 42.48 44.80 5.73 o 11 -11 1 107.32 100.11 7.23 o 11 -11 2 41.76 38.17 4.37 o 11 -10 0 171.79 172.29 16.35 o 11 -10 1 11.31 12.59 2.56 o 11 -10 2 136.45 137.02 9.38 o 11 -10 3 12.43 12.88 3.75 o 11 -9 0 69.32 71.23 7.91 o 11 -9 1 140.93 154.70 10.46 o 11 -9 2 66.94 71.51 5.56 o 11 -9 3 101.76 98.67 7.24 o 11 -8 0 92.49 110.34 11.33 o 11 -8 1 132.89 146.46 9.96 o 11 -8 2 87.92 106.55 7.66 o 11 -8 3 100.43 103.53 7.54 o 11 -8 4 53.70 46.68 5.67 o 11 -7 0 294.97 315.31 28.36 o 11 -7 1 16.25 17.01 2.76 o 11 -7 2 226.88 249.09 16.16 o 11 -7 3 16.95 18.23 2.91 o 11 -7 4 139.34 131.42 9.30 o 11 -6 0 60.43 74.62 8.20 o 11 -6 1 235.77 254.32 16.41 o 11 -6 2 60.64 71.06 5.71 o 11 -6 3 160.90 172.39 11.58 o 11 -6 4 38.50 33.18 4.03 o 11 -5 0 98.71 109.42 15.65 o 11 -5 1 178.51 190.76 17.84 o 11 -5 2 94.03 109.14 9.11 o 11 -5 3 131.75 138.29 9.62 o 11 -5 4 55.98 55.44 5.03 o 11 -4 0 375.35 382.18 48.11 o 11 -4 1 18.50 20.61 4.09 o 11 -4 2 283.96 308.69 27.95 o 11 -4 3 16.43 14.59 3.85 o 11 -4 4 164.36 149.09 14.77 o 11 -3 0 52.94 61.39 10.13 o 11 -3 1 194.86 197.47 18.53 o 11 -3 2 53.73 57.46 6.97 o 11 -3 3 135.62 124.57 17.99 o 11 -1 1 19.95 20.35 4.14 o 11 -1 2 184.38 189.67 24.06 o 11 -1 3 16.14 14.99 4.14 o 11 0 0 42.90 48.43 7.25 o 11 0 1 106.44 98.85 9.35 o 11 0 2 42.41 36.41 6.21 o 11 1 0 44.08 39.36 6.37 o 12 -11 0 45.16 43.09 8.00 o 12 -10 0 32.08 32.38 5.08 o 12 -10 1 110.00 100.66 7.40 o 12 -10 2 32.14 29.58 4.89 o 12 -9 0 211.45 227.19 21.14 o 12 -9 1 5.98 4.98 2.25 < 12 -9 2 166.83 158.62 10.92 o 12 -8 0 68.74 79.95 8.85 o 12 -8 1 128.68 136.40 9.42 o 12 -8 2 64.90 68.19 5.67 o 12 -8 3 91.70 90.03 10.06 o 12 -7 0 32.81 40.00 5.74 o 12 -7 1 147.65 156.59 10.70 o 12 -7 2 34.91 37.28 4.15 o 12 -7 3 106.66 96.64 7.44 o 12 -6 0 219.78 242.41 22.59 o 12 -6 1 10.76 11.57 2.93 o 12 -6 2 172.34 174.80 11.93 o 12 -6 3 11.27 10.34 3.14 o 12 -5 0 72.45 73.62 11.64 o 12 -5 1 106.08 107.23 10.97 o 12 -5 2 69.37 69.24 6.54 o 12 -5 3 79.17 68.85 7.06 o 12 -4 0 49.34 43.29 9.36 o 12 -4 1 115.26 114.87 11.72 o 12 -4 2 49.50 42.32 6.36 o 12 -3 0 161.14 155.26 21.39 o 12 -3 1 10.14 11.79 5.76 < 13 -9 0 44.81 48.04 9.53 o 13 -8 0 136.01 118.89 12.30 o 13 -8 1 12.07 11.04 4.41 < 13 -7 0 43.08 42.63 6.32 o 13 -7 1 129.30 117.96 8.70 o 13 -6 0 48.54 45.35 6.92 o 13 -6 1 119.50 110.53 8.24 o 13 -5 0 144.60 117.20 18.14 o data_Ii _database_code_depnum_ccdc_archive 'CCDC 872710' #TrackingRef '- naprf4_0.71 GPa.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Na1.5 Pr1.5' _chemical_formula_weight 359.8 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 6.110(2) _cell_length_b 6.110(2) _cell_length_c 3.742(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 120.98(11) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 1 1 1 0 0 0 1 0 0 0 1 2 0 0 1 0 1 0 0 0 0 -1 3 0 -1 0 0 0 -1 0 0 0 -1 4 0 0 -1 0 -1 0 0 0 0 1 _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 4.9374 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 159 _exptl_absorpt_coefficient_mu 3.186 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type ? _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.3995 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 2172 _diffrn_reflns_theta_min 2.16 _diffrn_reflns_theta_max 22.53 _diffrn_reflns_theta_full 22.41 _diffrn_measured_fraction_theta_max 0.79 _diffrn_measured_fraction_theta_full 0.8 _diffrn_reflns_av_R_equivalents 0.1033 _diffrn_reflns_av_sigmaI/netI 0.0229 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -5 _diffrn_reflns_limit_l_max 3 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 442 _reflns_number_gt 431 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0591 _refine_ls_wR_factor_gt 0.0614 _refine_ls_R_factor_all 0.0609 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 3.66 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 442 _refine_ls_number_parameters 15 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0055 _refine_ls_shift/su_mean 0.0017 _refine_diff_density_max 2.80 _refine_diff_density_min -3.40 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 1300(300) _refine_ls_abs_structure_details ; 483 of Friedel pairs used in the refinement ; _refine_ls_abs_structure_Flack 0 _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0032 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0088 0.0074 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Pr -1.1347 1.0299 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pr1 Pr 0 0 0 Uani 0.0088(3) 1 1 d . . . Na1 Na 0.333333 0.666667 0.693(9) Uani 0.029(7) 2 0.5 d . . . Pr2 Pr 0.666667 0.333333 0.5 Uani 0.0117(7) 1 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.0117(7) 1 0.5 d . . . F1 F 0.6281(19) 0.038(2) 0 Uiso 0.021(2) 3 1 d . . . F2 F 0.7320(16) 0.7530(14) 0.5 Uiso 0.0145(15) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pr1 Pr 0.0086(3) 0.0086(3) 0.0092(7) 0.00430(14) 0 0 Na1 Na 0.031(5) 0.031(5) 0.03(2) 0.016(2) 0 0 Pr2 Pr 0.0099(6) 0.0099(6) 0.0153(19) 0.0049(3) 0 0 Na2 Na 0.0099(6) 0.0099(6) 0.0153(19) 0.0049(3) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Pr1 F1 . 1_455 2.399(14) ? Pr1 F1 . 2_545 2.399(18) ? Pr1 F1 . 3_665 2.399(11) ? Pr1 F2 . 1_444 2.447(5) ? Pr1 F2 . 1_445 2.447(5) ? Pr1 F2 . 2_654 2.447(8) ? Pr1 F2 . 2_655 2.447(8) ? Pr1 F2 . 3_564 2.447(8) ? Pr1 F2 . 3_565 2.447(8) ? Na1 F1 . 1_565 3.32(3) ? Na1 F1 . 1_566 2.373(18) ? Na1 F1 . 2_555 3.32(3) ? Na1 F1 . 2_556 2.37(2) ? Na1 F1 . 3_665 3.32(3) ? Na1 F1 . 3_666 2.37(2) ? Na1 F2 . . 2.334(14) ? Na1 F2 . 2_665 2.334(17) ? Na1 F2 . 3_565 2.334(13) ? Pr2 F1 . . 2.525(9) ? Pr2 F1 . 1_556 2.525(9) ? Pr2 F1 . 2_655 2.525(7) ? Pr2 F1 . 2_656 2.525(7) ? Pr2 F1 . 3_665 2.525(12) ? Pr2 F1 . 3_666 2.525(12) ? Pr2 F2 . . 2.390(9) ? Pr2 F2 . 2_655 2.390(7) ? Pr2 F2 . 3_665 2.390(14) ? Na2 F1 . . 2.525(9) ? Na2 F1 . 1_556 2.525(9) ? Na2 F1 . 2_655 2.525(7) ? Na2 F1 . 2_656 2.525(7) ? Na2 F1 . 3_665 2.525(12) ? Na2 F1 . 3_666 2.525(12) ? Na2 F2 . . 2.390(9) ? Na2 F2 . 2_655 2.390(7) ? Na2 F2 . 3_665 2.390(14) ? F1 F1 . 2_655 2.938(17) ? F1 F1 . 3_665 2.94(2) ? F1 F2 . 1_544 2.838(14) ? F1 F2 . 1_545 2.838(14) ? F1 F2 . 2_654 2.865(12) ? F1 F2 . 2_655 2.865(12) ? F1 F2 . 3_664 2.804(11) ? F1 F2 . 3_665 2.804(11) ? F2 F2 . 2_765 2.732(12) ? F2 F2 . 3_675 2.732(11) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 -1 0 1706.32 1801.19 15.41 o 1 0 0 1703.70 1890.44 16.18 o 1 1 0 4637.09 4341.65 52.17 o 1 1 1 870.14 884.32 11.89 o 2 -3 0 1471.40 1327.61 15.83 o 2 -3 1 3801.59 3952.80 34.55 o 2 -3 2 1409.86 1416.65 19.68 o 2 -2 0 1233.75 1170.26 11.00 o 2 -2 1 5437.19 5383.33 56.26 o 2 -1 0 4639.09 4459.02 53.30 o 2 -1 1 917.27 1016.19 10.29 o 2 0 0 1234.88 1338.43 12.58 o 2 0 1 5433.77 5651.07 52.77 o 2 0 2 1280.29 1601.47 41.57 o 2 1 1 3081.86 2831.31 25.31 o 2 1 2 386.92 428.90 9.25 o 2 2 0 3112.15 2700.21 34.81 o 2 2 1 229.37 210.81 3.85 o 2 2 2 1586.70 1550.32 20.85 o 2 2 3 221.61 228.20 7.05 o 3 -5 0 372.93 401.37 6.91 o 3 -5 1 1710.82 1729.10 14.41 o 3 -5 2 447.45 417.01 9.36 o 3 -5 3 877.26 758.24 11.66 o 3 -5 4 192.51 232.75 8.58 o 3 -4 0 1088.31 1068.05 11.58 o 3 -4 1 1174.90 1225.05 12.21 o 3 -4 2 1060.78 1088.19 15.25 o 3 -4 3 674.08 712.94 11.46 o 3 -3 0 6526.26 6203.04 52.91 o 3 -3 1 242.92 244.22 5.51 o 3 -3 2 3058.36 2931.47 35.46 o 3 -2 0 244.47 192.30 7.29 o 3 -2 1 3089.12 3313.71 29.72 o 3 -1 0 1443.08 1349.08 18.98 o 3 -1 1 3811.15 3697.50 25.97 o 3 -1 2 1378.46 1476.21 29.87 o 3 0 0 6526.47 7569.84 91.45 o 3 0 1 237.55 217.10 2.98 o 3 0 2 3058.68 3432.07 54.18 o 3 1 0 484.03 504.46 10.76 o 3 1 1 1812.86 1872.57 17.28 o 3 1 2 608.13 580.05 11.88 o 3 1 3 938.77 1079.08 17.38 o 3 2 0 931.00 966.32 16.26 o 3 2 1 2798.02 2827.52 22.60 o 3 2 2 879.95 715.96 12.39 o 3 2 3 1368.82 1144.64 16.88 o 3 2 4 320.78 369.32 13.70 o 3 3 1 152.54 152.26 4.71 o 3 3 2 1057.90 1040.23 15.64 o 3 3 3 141.93 133.67 7.64 o 3 3 4 536.27 463.50 11.86 o 3 3 5 55.61 55.50 12.77 o 4 -7 0 423.43 468.52 8.59 o 4 -7 1 915.31 892.63 9.22 o 4 -7 2 404.92 282.57 10.67 o 4 -7 3 534.02 549.05 12.36 o 4 -7 4 185.29 210.79 7.47 o 4 -7 5 226.07 215.83 8.10 o 4 -6 0 171.67 148.88 5.41 o 4 -6 1 1196.13 1210.57 10.99 o 4 -6 2 214.52 247.71 9.08 o 4 -6 3 677.85 727.36 11.92 o 4 -6 4 111.75 118.15 5.14 o 4 -6 5 274.53 298.22 10.11 o 4 -5 0 2914.55 2719.19 25.03 o 4 -5 1 93.90 39.85 6.77 o 4 -5 2 1687.63 2019.25 29.92 o 4 -5 3 113.98 110.28 4.54 o 4 -5 4 791.40 795.97 13.11 o 4 -4 0 1073.65 943.94 10.55 o 4 -4 1 932.92 938.40 9.55 o 4 -4 2 1019.09 1064.78 17.33 o 4 -4 3 559.72 508.14 7.71 o 4 -3 0 492.79 472.31 7.05 o 4 -3 1 1825.86 1998.96 18.27 o 4 -3 2 604.79 776.41 17.63 o 4 -2 0 3099.33 2872.38 36.56 o 4 -2 1 219.88 246.24 7.98 o 4 -2 2 1577.95 1704.02 17.11 o 4 -1 0 1106.65 1199.99 18.48 o 4 -1 1 1189.17 1119.41 9.16 o 4 -1 2 1081.96 1098.76 12.03 o 4 0 0 1066.72 1284.41 21.81 o 4 0 1 930.53 835.84 7.44 o 4 0 2 1006.64 1005.18 32.65 o 4 0 3 568.46 700.56 14.29 o 4 1 0 2236.08 2330.64 31.46 o 4 1 1 93.93 80.32 6.03 o 4 1 2 1283.36 1321.54 14.44 o 4 1 3 118.41 98.82 7.35 o 4 1 4 638.26 600.72 18.05 o 4 2 0 316.63 311.29 9.11 o 4 2 1 1161.06 1154.29 11.29 o 4 2 2 354.21 363.81 7.34 o 4 2 3 651.48 590.87 13.60 o 4 2 4 158.87 132.02 6.68 o 4 3 0 448.42 430.97 10.87 o 4 3 1 566.34 504.15 6.70 o 4 3 2 424.35 562.22 12.11 o 4 3 3 350.97 373.93 11.43 o 4 3 4 193.24 193.35 7.87 o 4 3 5 158.82 160.49 10.23 o 4 4 0 1148.10 1136.52 20.00 o 4 4 1 37.52 24.83 4.44 o 4 4 2 796.26 695.21 27.28 o 4 4 3 41.38 78.68 10.20 o 4 4 4 418.15 457.43 10.41 o 4 4 5 20.91 8.59 8.01 < 5 -9 0 120.01 108.16 7.62 o 5 -9 1 433.58 435.47 7.03 o 5 -9 2 118.01 61.32 11.08 o 5 -9 4 66.82 108.26 14.21 o 5 -8 0 290.72 315.64 6.98 o 5 -8 1 755.44 743.52 8.95 o 5 -8 2 269.39 379.14 23.05 o 5 -8 4 133.44 207.15 10.09 o 5 -8 5 199.63 181.15 9.61 o 5 -7 0 1037.22 924.86 11.60 o 5 -7 1 131.88 186.97 6.35 o 5 -7 2 684.21 547.05 14.61 o 5 -7 3 111.38 176.13 9.54 o 5 -7 4 365.31 429.81 10.43 o 5 -7 5 48.13 55.00 6.15 o 5 -6 0 436.55 382.25 7.18 o 5 -6 1 1380.98 1356.51 12.35 o 5 -6 2 437.87 490.69 13.48 o 5 -6 3 765.66 923.70 16.42 o 5 -6 4 191.59 188.17 5.39 o 5 -6 5 305.49 266.33 6.63 o 5 -5 0 717.37 618.73 10.12 o 5 -5 2 673.83 733.64 14.66 o 5 -5 3 838.14 955.23 16.12 o 5 -5 4 273.64 229.44 5.84 o 5 -4 0 2238.23 2187.03 21.27 o 5 -4 1 91.83 42.51 6.34 o 5 -4 2 1285.00 1431.28 21.63 o 5 -3 0 946.45 938.80 10.87 o 5 -3 1 2784.81 2708.67 25.88 o 5 -3 2 898.21 914.57 12.27 o 5 -2 0 383.98 348.01 9.17 o 5 -2 1 1701.04 1539.92 15.68 o 5 -2 2 448.54 395.31 5.67 o 5 -2 3 880.24 980.21 25.69 o 5 -1 0 2917.23 3397.57 44.73 o 5 -1 1 98.54 68.21 4.14 o 5 -1 2 1689.44 1492.15 14.52 o 5 -1 3 116.62 89.49 7.03 o 5 0 0 717.40 805.45 22.41 o 5 0 1 1557.71 1318.36 23.08 o 5 0 2 679.19 580.72 7.62 o 5 0 3 829.59 793.99 18.20 o 5 1 0 156.97 164.52 8.61 o 5 1 1 1070.86 1087.43 10.45 o 5 1 2 188.49 174.48 5.09 o 5 1 3 612.72 587.20 12.11 o 5 1 4 100.27 125.67 7.55 o 5 2 1 118.14 175.35 7.48 o 5 2 2 927.06 908.54 10.99 o 5 2 3 103.96 56.31 6.02 o 5 2 4 473.25 452.48 10.47 o 5 2 5 44.28 30.85 10.28 < 5 3 0 326.74 326.37 13.44 o 5 3 1 456.16 463.04 7.01 o 5 3 2 302.60 333.55 11.13 o 5 3 3 284.15 290.26 8.96 o 5 3 4 150.91 153.12 8.76 o 5 3 5 132.42 76.71 9.31 o 5 4 0 155.43 121.45 9.52 o 5 4 1 406.22 409.32 6.54 o 5 4 2 147.02 181.45 10.16 o 5 4 3 260.71 258.64 11.78 o 5 4 4 82.23 99.86 9.49 o 5 5 0 414.58 275.69 14.64 o 5 5 1 56.31 52.16 5.27 o 5 5 2 311.51 265.00 13.28 o 6 -11 0 109.13 70.31 8.50 o 6 -11 1 178.86 148.49 5.81 o 6 -10 0 134.84 145.77 5.83 o 6 -10 1 325.90 334.62 5.92 o 6 -10 2 123.22 129.61 25.99 o 6 -9 0 496.64 478.20 7.93 o 6 -9 1 72.63 53.26 4.44 o 6 -9 2 360.85 413.08 16.44 o 6 -8 0 197.88 212.84 6.40 o 6 -8 1 523.40 545.93 7.82 o 6 -8 2 192.82 187.44 8.98 o 6 -7 0 252.73 261.49 6.91 o 6 -7 1 620.08 584.58 9.53 o 6 -7 2 250.08 249.93 11.17 o 6 -7 5 171.49 130.72 9.92 o 6 -6 0 1156.71 1132.08 13.44 o 6 -6 1 133.01 106.71 5.06 o 6 -6 2 751.33 820.96 16.80 o 6 -6 5 49.22 50.30 4.39 o 6 -5 0 145.88 145.76 6.14 o 6 -5 1 1073.58 1084.25 10.28 o 6 -5 2 183.68 174.01 8.40 o 6 -5 5 257.58 253.23 6.80 o 6 -4 0 313.22 352.28 8.76 o 6 -4 1 1155.14 1062.32 11.21 o 6 -4 2 347.48 385.42 7.56 o 6 -3 1 147.67 144.90 5.13 o 6 -3 2 1068.89 1081.15 12.56 o 6 -3 3 138.86 155.10 17.05 o 6 -2 0 161.12 101.61 8.43 o 6 -2 1 1187.66 1101.40 11.94 o 6 -2 2 210.85 214.67 4.33 o 6 -2 3 667.98 698.57 9.57 o 6 -1 0 429.29 552.15 13.93 o 6 -1 1 1391.78 1314.28 12.41 o 6 -1 2 428.38 428.20 5.93 o 6 -1 3 777.32 758.28 10.25 o 6 -1 4 187.51 142.10 10.13 o 6 0 0 1156.30 1584.47 45.25 o 6 0 1 125.18 130.17 4.05 o 6 0 2 751.34 717.07 9.53 o 6 0 3 109.86 117.39 5.33 o 6 0 4 398.20 385.35 10.33 o 6 1 0 263.87 361.15 17.25 o 6 1 1 885.44 955.17 11.10 o 6 1 2 262.36 285.08 6.36 o 6 1 3 525.99 542.22 8.69 o 6 1 4 127.29 142.56 8.09 o 6 1 5 224.64 212.18 16.75 o 6 2 0 267.44 416.74 14.17 o 6 2 1 689.41 780.01 14.52 o 6 2 2 247.87 260.30 8.07 o 6 2 3 423.33 393.81 11.06 o 6 2 4 123.90 139.09 10.36 o 6 2 5 187.23 180.98 12.54 o 6 3 0 535.89 612.11 14.61 o 6 3 1 46.98 24.25 6.51 o 6 3 2 390.18 333.13 9.64 o 6 3 3 44.41 28.75 5.89 o 6 3 4 220.09 234.81 10.61 o 6 4 0 157.05 173.04 10.81 o 6 4 1 407.14 353.82 8.77 o 6 4 2 142.13 170.41 14.69 o 6 5 0 74.79 51.32 10.66 o 6 5 1 229.03 173.59 6.46 o 7 -11 0 345.93 281.76 10.30 o 7 -11 1 22.29 10.09 4.79 < 7 -10 0 121.30 110.38 5.62 o 7 -10 1 336.35 340.23 5.95 o 7 -10 2 110.83 67.17 9.19 o 7 -9 0 146.55 128.60 5.44 o 7 -9 1 366.41 309.46 5.97 o 7 -9 2 137.19 165.87 13.03 o 7 -9 3 239.04 424.14 33.57 o 7 -8 1 49.26 36.83 4.68 o 7 -8 2 717.32 757.83 29.72 o 7 -8 3 45.85 100.37 27.43 o 7 -7 0 281.90 260.97 6.81 o 7 -7 1 512.91 528.56 7.21 o 7 -7 2 265.52 251.63 13.30 o 7 -7 3 317.27 531.69 33.87 o 7 -6 0 258.04 326.64 9.10 o 7 -6 1 897.09 881.90 10.67 o 7 -6 2 255.38 282.18 9.46 o 7 -5 0 1392.51 1308.26 36.06 o 7 -5 1 120.74 167.60 5.91 o 7 -5 2 921.62 993.47 12.38 o 7 -4 0 456.89 441.39 10.77 o 7 -4 1 569.50 562.84 9.20 o 7 -4 2 433.72 410.43 9.02 o 7 -3 0 419.84 418.78 11.27 o 7 -3 1 920.08 888.58 11.47 o 7 -3 2 399.11 381.78 7.12 o 7 -3 4 182.89 149.46 4.18 o 7 -2 0 1028.54 1307.73 23.11 o 7 -2 1 140.15 164.43 6.15 o 7 -2 2 677.19 630.14 8.09 o 7 -2 3 116.92 95.77 4.59 o 7 -2 4 361.23 333.70 6.49 o 7 -1 0 256.70 465.93 22.39 o 7 -1 1 628.66 600.90 8.41 o 7 -1 2 255.31 272.84 5.32 o 7 -1 3 380.87 382.47 8.46 o 7 -1 4 124.35 78.91 6.20 o 7 0 0 281.05 467.32 30.73 o 7 0 1 510.07 570.37 7.41 o 7 0 2 263.10 236.53 7.44 o 7 0 3 317.84 322.35 6.68 o 7 0 4 132.50 138.76 8.21 o 7 1 1 59.97 81.39 6.90 o 7 1 2 452.51 502.59 8.78 o 7 1 3 54.04 77.89 6.47 o 7 1 4 251.78 260.92 10.11 o 7 2 0 86.68 89.61 12.38 o 7 2 1 390.24 483.74 15.54 o 7 2 2 85.63 73.19 7.08 o 7 2 3 252.24 249.90 10.34 o 7 2 4 50.13 55.41 10.34 o 7 3 0 108.61 115.02 11.85 o 7 3 1 278.55 359.66 11.97 o 7 3 2 100.47 111.32 8.14 o 7 4 0 286.22 252.67 16.51 o 7 4 1 23.85 4.44 11.09 < 8 -11 0 66.95 61.00 6.73 o 8 -11 1 192.16 154.53 10.03 o 8 -10 0 306.35 264.74 9.31 o 8 -10 1 38.69 19.47 4.82 o 8 -10 2 235.12 241.83 12.56 o 8 -9 0 154.76 103.08 5.83 o 8 -9 1 290.58 298.46 6.43 o 8 -9 2 141.97 128.34 10.25 o 8 -9 3 190.91 274.41 30.03 o 8 -8 0 223.72 226.04 6.96 o 8 -8 1 347.10 366.36 6.30 o 8 -8 2 202.33 214.76 10.48 o 8 -8 3 224.60 382.18 31.50 o 8 -7 0 631.21 711.03 17.82 o 8 -7 1 55.50 69.09 4.62 o 8 -7 2 450.38 412.57 12.30 o 8 -7 3 50.89 55.29 23.57 < 8 -6 0 270.83 292.42 7.56 o 8 -6 1 687.19 755.67 10.17 o 8 -6 2 252.29 228.89 7.74 o 8 -6 3 419.52 619.45 37.72 o 8 -5 0 325.45 318.88 10.67 o 8 -5 1 455.53 488.87 8.24 o 8 -5 2 299.80 304.79 8.71 o 8 -5 3 286.17 493.40 34.10 o 8 -4 0 1144.99 1206.31 24.83 o 8 -4 1 36.07 13.77 6.06 < 8 -4 2 793.86 753.15 22.32 o 8 -4 3 40.40 61.09 10.69 o 8 -3 0 290.95 346.42 11.79 o 8 -3 1 755.17 721.57 11.33 o 8 -3 2 271.47 268.74 8.67 o 8 -3 3 454.82 485.45 14.96 o 8 -2 0 194.20 364.37 21.79 o 8 -2 1 522.52 522.30 8.59 o 8 -2 2 188.35 216.82 6.40 o 8 -2 3 327.79 379.54 7.02 o 8 -2 4 97.29 101.92 5.92 o 8 -1 1 49.24 63.40 6.43 o 8 -1 2 717.28 719.11 16.37 o 8 -1 3 45.84 64.15 5.63 o 8 -1 4 381.21 353.87 7.03 o 8 0 1 344.94 400.16 8.71 o 8 0 2 202.30 226.76 6.75 o 8 0 3 221.77 216.08 7.76 o 8 0 4 109.18 85.94 14.05 o 8 1 0 125.46 215.30 27.45 o 8 1 1 360.52 360.77 7.76 o 8 1 2 116.36 133.29 8.51 o 8 1 3 236.58 211.83 8.56 o 8 2 0 400.25 635.78 31.32 o 8 2 1 48.83 47.55 13.56 o 8 2 2 306.69 401.22 12.92 o 9 -10 0 84.82 37.00 5.60 o 9 -10 1 239.82 209.41 7.98 o 9 -9 0 343.85 338.64 7.66 o 9 -9 1 36.16 16.93 5.09 o 9 -9 2 262.48 172.09 10.78 o 9 -8 0 127.12 109.26 5.83 o 9 -8 1 358.04 359.09 8.52 o 9 -8 2 118.49 144.71 8.62 o 9 -8 3 233.87 316.35 31.63 o 9 -7 0 89.66 33.62 5.64 o 9 -7 1 385.47 403.06 7.34 o 9 -7 2 87.32 89.20 6.68 o 9 -7 3 250.02 316.63 27.03 o 9 -6 0 542.78 561.94 13.41 o 9 -6 1 47.37 44.93 5.56 o 9 -6 2 395.75 389.73 9.35 o 9 -6 3 44.63 31.48 13.01 < 9 -5 0 152.29 112.79 7.99 o 9 -5 1 402.73 479.14 8.80 o 9 -5 2 145.54 120.39 6.77 o 9 -5 3 257.04 308.13 11.98 o 9 -4 0 122.98 97.31 9.39 o 9 -4 1 436.02 400.80 8.32 o 9 -4 2 119.39 123.77 7.05 o 9 -4 3 279.25 330.39 11.84 o 9 -3 0 502.29 389.30 15.70 o 9 -3 1 67.94 67.39 6.11 o 9 -3 2 365.62 346.70 7.70 o 9 -3 3 58.28 22.93 8.67 < 9 -3 4 207.58 187.08 19.89 o 9 -2 0 148.43 244.75 27.53 o 9 -2 1 361.46 384.72 7.93 o 9 -2 2 139.65 157.19 6.28 o 9 -2 3 234.48 312.55 12.33 o 9 -2 4 77.40 105.24 9.42 o 9 -1 1 294.78 335.26 10.91 o 9 -1 2 141.46 165.62 8.21 o 9 -1 3 194.75 183.41 7.11 o 9 0 1 33.25 35.19 9.76 o 9 0 2 261.67 318.37 10.77 o 9 0 3 29.86 39.59 10.55 o 9 1 2 92.49 109.86 23.69 o 10 -10 0 55.52 26.88 9.08 < 10 -10 1 188.87 250.75 11.79 o 10 -9 0 98.37 66.05 6.15 o 10 -9 1 257.93 221.89 7.86 o 10 -8 0 401.63 444.93 15.66 o 10 -8 1 48.29 39.07 7.62 o 10 -8 2 307.85 255.09 8.52 o 10 -7 0 111.06 72.46 6.76 o 10 -7 1 276.57 307.26 7.93 o 10 -7 2 103.10 125.59 8.35 o 10 -7 3 184.33 184.08 19.85 o 10 -6 0 153.45 145.31 9.12 o 10 -6 1 410.65 425.39 11.30 o 10 -6 2 138.36 142.31 8.75 o 10 -6 3 268.29 275.17 17.63 o 10 -5 0 411.52 504.90 17.14 o 10 -5 1 58.36 52.18 8.01 o 10 -5 2 308.92 316.42 10.98 o 10 -5 3 49.44 45.07 12.23 o 10 -4 0 139.49 251.40 16.96 o 10 -4 1 324.03 342.36 7.89 o 10 -4 2 127.77 131.06 10.52 o 10 -4 3 213.67 210.83 13.12 o 10 -3 0 121.86 250.33 23.95 o 10 -3 1 333.93 309.90 8.00 o 10 -3 2 110.68 117.82 7.09 o 10 -3 3 220.01 216.24 15.03 o 10 -2 1 41.57 32.59 8.14 o 10 -2 2 234.18 229.25 8.18 o 10 -2 3 35.81 98.55 12.53 o 10 -1 1 241.37 372.27 33.91 o 10 -1 2 77.88 78.14 14.05 o 11 -9 0 81.00 90.01 13.19 o 11 -8 0 104.62 56.30 8.40 o 11 -8 1 140.55 132.60 12.40 o 11 -7 0 282.97 227.07 11.77 o 11 -7 1 24.05 10.34 7.26 < 11 -7 2 220.96 186.64 14.12 o 11 -6 0 74.37 108.28 14.62 o 11 -6 1 232.38 181.41 9.23 o 11 -6 2 68.73 46.99 8.80 o 11 -5 0 105.89 73.86 14.55 o 11 -5 1 178.71 176.47 11.43 o 11 -5 2 95.40 89.99 8.50 o 11 -4 1 22.27 9.84 6.68 < 11 -4 2 270.64 258.32 12.84 o 11 -3 1 192.64 142.21 10.93 o data_Ij _database_code_depnum_ccdc_archive 'CCDC 872711' #TrackingRef '- naprf4_2.36 GPa.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Na1.5 Pr1.5' _chemical_formula_weight 359.8 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 6.067(2) _cell_length_b 6.067(2) _cell_length_c 3.722(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 118.65(8) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 1 1 1 0 0 0 1 0 0 0 1 2 0 -1 0 0 0 -1 0 0 0 1 _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.0345 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 159 _exptl_absorpt_coefficient_mu 3.261 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type ? _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.4 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 2175 _diffrn_reflns_theta_min 2.18 _diffrn_reflns_theta_max 22.6 _diffrn_reflns_theta_full 22.59 _diffrn_measured_fraction_theta_max 0.78 _diffrn_measured_fraction_theta_full 0.79 _diffrn_reflns_av_R_equivalents 0.1005 _diffrn_reflns_av_sigmaI/netI 0.0254 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -5 _diffrn_reflns_limit_l_max 5 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 496 _reflns_number_gt 478 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0547 _refine_ls_wR_factor_gt 0.0550 _refine_ls_R_factor_all 0.0583 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 3.11 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 496 _refine_ls_number_parameters 15 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0342 _refine_ls_shift/su_mean 0.0060 _refine_diff_density_max 1.87 _refine_diff_density_min -3.37 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 1500(200) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0032 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0088 0.0074 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Pr -1.1316 1.0322 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pr1 Pr 0 0 0 Uani 0.0081(3) 1 1 d . . . Na1 Na 0.333333 0.666667 0.705(11) Uani 0.050(9) 2 0.5 d . . . Pr2 Pr 0.666667 0.333333 0.5 Uani 0.0120(6) 1 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.0120(6) 1 0.5 d . . . F1 F 0.6269(16) 0.0403(17) 0 Uiso 0.0184(17) 3 1 d . . . F2 F 0.7294(16) 0.7504(13) 0.5 Uiso 0.0184(16) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pr1 Pr 0.0089(2) 0.0089(2) 0.0064(6) 0.00444(12) 0 0 Na1 Na 0.025(4) 0.025(4) 0.10(3) 0.0127(18) 0 0 Pr2 Pr 0.0087(5) 0.0087(5) 0.0186(15) 0.0044(2) 0 0 Na2 Na 0.0087(5) 0.0087(5) 0.0186(15) 0.0044(2) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Pr1 F1 . 1_455 2.395(12) ? Pr1 F1 . 2_545 2.395(15) ? Pr1 F1 . 3_665 2.395(9) ? Pr1 F2 . 1_444 2.443(5) ? Pr1 F2 . 1_445 2.443(5) ? Pr1 F2 . 2_654 2.443(7) ? Pr1 F2 . 2_655 2.443(7) ? Pr1 F2 . 3_564 2.443(7) ? Pr1 F2 . 3_565 2.443(7) ? Na1 F1 . 1_565 3.34(3) ? Na1 F1 . 1_566 2.34(2) ? Na1 F1 . 2_555 3.34(3) ? Na1 F1 . 2_556 2.34(2) ? Na1 F1 . 3_665 3.34(3) ? Na1 F1 . 3_666 2.34(2) ? Na1 F2 . . 2.322(16) ? Na1 F2 . 2_665 2.322(18) ? Na1 F2 . 3_565 2.322(15) ? Pr2 F1 . . 2.501(7) ? Pr2 F1 . 1_556 2.501(7) ? Pr2 F1 . 2_655 2.501(6) ? Pr2 F1 . 2_656 2.501(6) ? Pr2 F1 . 3_665 2.501(10) ? Pr2 F1 . 3_666 2.501(10) ? Pr2 F2 . . 2.363(9) ? Pr2 F2 . 2_655 2.363(7) ? Pr2 F2 . 3_665 2.363(14) ? Na2 F1 . . 2.501(7) ? Na2 F1 . 1_556 2.501(7) ? Na2 F1 . 2_655 2.501(6) ? Na2 F1 . 2_656 2.501(6) ? Na2 F1 . 3_665 2.501(10) ? Na2 F1 . 3_666 2.501(10) ? Na2 F2 . . 2.363(9) ? Na2 F2 . 2_655 2.363(7) ? Na2 F2 . 3_665 2.363(14) ? F1 F1 . 2_655 2.894(14) ? F1 F1 . 3_665 2.894(19) ? F1 F2 . 1_544 2.835(12) ? F1 F2 . 1_545 2.835(12) ? F1 F2 . 2_654 2.827(11) ? F1 F2 . 2_655 2.827(11) ? F1 F2 . 3_664 2.791(10) ? F1 F2 . 3_665 2.791(10) ? F2 F2 . 2_765 2.740(11) ? F2 F2 . 3_675 2.740(11) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 -1 0 1676.67 1942.35 20.35 o 1 0 0 1674.09 1905.61 15.10 o 1 1 0 4637.08 4903.60 58.42 o 1 1 1 892.36 896.33 9.30 o 2 -3 0 1514.69 1404.11 17.22 o 2 -3 1 3844.62 3504.45 23.67 o 2 -3 2 1395.76 1330.12 21.58 o 2 -2 0 1240.83 1196.77 15.98 o 2 -2 1 5417.44 5335.93 50.18 o 2 -1 0 4638.06 4914.46 58.63 o 2 -1 1 938.77 918.73 10.07 o 2 0 0 1240.89 1339.84 11.60 o 2 0 1 5413.65 5190.16 38.58 o 2 0 2 1254.19 1482.07 40.67 o 2 1 1 2961.75 2818.69 25.53 o 2 2 0 3145.47 2988.17 37.97 o 2 2 1 239.27 213.07 5.00 o 2 2 2 1652.75 1716.66 20.21 o 3 -5 0 348.59 390.68 8.50 o 3 -5 1 1651.44 1674.02 14.51 o 3 -5 2 438.46 455.25 7.64 o 3 -5 3 896.55 933.16 12.92 o 3 -5 4 224.70 312.55 22.46 o 3 -4 0 1074.11 1178.48 13.79 o 3 -4 1 1149.76 1162.36 9.22 o 3 -4 2 1035.11 1041.43 12.31 o 3 -4 3 703.37 925.47 24.52 o 3 -3 0 6510.77 5923.25 87.75 o 3 -3 1 241.06 251.16 3.79 o 3 -3 2 3126.11 3540.65 44.17 o 3 -2 1 2962.73 3191.91 26.24 o 3 -2 2 365.23 464.51 17.05 o 3 -1 0 1487.42 1428.79 20.44 o 3 -1 1 3854.64 3627.85 27.44 o 3 -1 2 1366.85 1349.27 16.45 o 3 0 0 6509.80 6509.12 55.83 o 3 0 1 235.71 240.11 4.57 o 3 0 2 3125.27 3262.44 40.33 o 3 1 0 458.95 481.59 7.62 o 3 1 1 1834.52 1891.53 15.93 o 3 1 2 585.70 578.48 12.02 o 3 1 3 971.37 1148.66 35.44 o 3 2 0 922.94 950.41 14.87 o 3 2 1 2828.25 2768.29 25.74 o 3 2 2 875.92 853.14 14.20 o 3 2 4 358.64 467.62 23.92 o 3 3 0 1751.94 1615.45 20.35 o 3 3 1 131.79 106.93 5.45 o 3 3 2 1080.53 1036.64 11.80 o 3 3 3 131.83 147.02 11.69 o 3 3 4 555.31 434.06 16.59 o 4 -7 0 412.55 399.57 7.95 o 4 -7 1 922.38 891.08 9.99 o 4 -7 2 405.72 426.45 8.06 o 4 -7 3 552.38 645.78 16.29 o 4 -7 4 205.84 196.44 7.68 o 4 -7 5 245.12 219.81 12.23 o 4 -6 0 159.46 148.10 6.31 o 4 -6 1 1181.84 1055.51 10.05 o 4 -6 2 212.99 228.77 5.76 o 4 -6 3 685.38 753.49 14.34 o 4 -6 4 134.25 143.71 5.56 o 4 -6 5 290.66 259.16 11.59 o 4 -5 0 2947.71 2682.42 35.52 o 4 -5 1 111.48 99.99 5.67 o 4 -5 2 1713.85 1680.57 18.27 o 4 -5 3 128.69 117.28 7.23 o 4 -5 4 801.29 674.60 18.35 o 4 -4 0 1022.43 963.91 13.45 o 4 -4 1 954.04 901.91 8.55 o 4 -4 2 976.62 875.35 20.55 o 4 -4 3 603.93 605.01 13.96 o 4 -3 0 468.64 512.91 9.57 o 4 -3 1 1848.43 1875.96 14.89 o 4 -3 2 584.23 627.44 10.24 o 4 -3 3 983.44 1040.94 30.93 o 4 -2 0 3136.68 3096.37 33.98 o 4 -2 1 229.71 229.57 4.97 o 4 -2 2 1646.40 1617.24 19.13 o 4 -1 0 1093.31 1178.58 13.70 o 4 -1 1 1162.44 1179.52 9.39 o 4 -1 2 1056.65 943.40 11.10 o 4 -1 3 705.07 741.60 14.03 o 4 0 0 1015.00 1006.60 12.36 o 4 0 1 951.41 838.34 10.53 o 4 0 2 963.89 868.80 15.73 o 4 0 3 606.39 639.16 12.01 o 4 1 0 2199.34 2225.24 23.71 o 4 1 1 96.52 104.73 6.19 o 4 1 2 1291.02 1344.83 17.46 o 4 1 3 120.28 77.07 14.06 o 4 1 4 649.20 815.69 20.05 o 4 2 0 307.83 283.88 7.54 o 4 2 1 1134.48 1113.85 10.91 o 4 2 2 355.20 366.25 9.44 o 4 2 4 183.21 170.00 11.47 o 4 3 0 422.11 335.69 9.79 o 4 3 1 561.38 525.94 7.33 o 4 3 2 410.63 396.85 9.54 o 4 3 3 363.14 454.86 15.16 o 4 3 4 203.50 189.63 14.06 o 4 3 5 176.51 150.53 12.42 o 4 4 0 1128.42 1220.72 24.54 o 4 4 1 38.88 16.53 4.41 o 4 4 2 779.06 780.87 10.37 o 4 4 3 48.60 58.86 12.49 o 4 4 5 41.62 8.19 15.64 < 5 -9 0 105.94 82.07 9.27 o 5 -9 1 431.50 404.76 7.58 o 5 -9 2 112.46 106.91 6.26 o 5 -9 3 281.80 331.99 21.78 o 5 -9 4 73.40 57.12 18.47 o 5 -8 0 275.07 261.41 10.13 o 5 -8 1 751.50 749.22 8.59 o 5 -8 2 266.88 296.15 7.29 o 5 -8 3 466.06 478.18 22.40 o 5 -8 4 147.79 184.38 17.35 o 5 -8 5 213.63 151.92 18.78 o 5 -7 0 1049.95 985.63 18.20 o 5 -7 1 113.78 112.31 5.79 o 5 -7 2 696.86 723.42 10.20 o 5 -7 3 103.63 128.14 9.55 o 5 -7 5 68.59 42.83 7.75 o 5 -6 0 411.21 361.16 10.15 o 5 -6 1 1369.17 1310.25 11.88 o 5 -6 2 425.91 442.20 7.36 o 5 -6 3 773.15 843.48 11.46 o 5 -6 4 209.98 247.29 11.08 o 5 -6 5 319.78 259.36 11.10 o 5 -5 0 674.43 506.76 13.15 o 5 -5 1 1572.02 1555.82 12.25 o 5 -5 2 652.25 657.93 10.37 o 5 -5 3 867.89 963.80 13.72 o 5 -5 4 297.52 329.97 11.31 o 5 -4 0 2198.13 2232.99 24.23 o 5 -4 1 94.29 106.18 7.06 o 5 -4 2 1290.14 1368.14 15.58 o 5 -4 3 118.90 123.44 11.76 o 5 -4 4 648.80 577.42 22.25 o 5 -3 0 936.07 1050.00 15.77 o 5 -3 1 2815.98 2856.72 24.46 o 5 -3 2 891.89 815.56 12.45 o 5 -3 3 1374.27 1270.47 17.95 o 5 -3 4 365.44 415.44 18.63 o 5 -2 0 357.92 299.17 7.21 o 5 -2 1 1643.72 1744.10 14.38 o 5 -2 2 439.16 374.71 6.13 o 5 -2 3 896.47 895.48 13.20 o 5 -2 4 226.76 270.36 17.34 o 5 -1 0 2949.10 3129.14 28.93 o 5 -1 1 115.92 128.87 6.39 o 5 -1 2 1714.89 1494.42 17.79 o 5 -1 3 131.43 99.71 7.79 o 5 -1 4 801.76 762.03 13.96 o 5 0 0 674.84 741.30 13.04 o 5 0 1 1569.52 1524.33 12.82 o 5 0 2 657.62 568.17 8.32 o 5 0 3 863.04 730.05 24.80 o 5 0 4 299.60 285.89 11.63 o 5 1 0 147.54 148.43 6.76 o 5 1 1 1051.18 1015.44 10.00 o 5 1 2 191.01 176.80 6.36 o 5 1 3 620.97 565.04 21.63 o 5 1 4 122.92 86.13 13.68 o 5 2 0 1432.67 1342.43 22.41 o 5 2 1 113.98 117.87 7.79 o 5 2 2 949.79 1020.62 15.43 o 5 2 3 108.36 63.75 11.05 o 5 2 5 72.45 6.17 14.40 < 5 3 0 294.03 306.01 10.54 o 5 3 1 460.69 463.76 7.04 o 5 3 2 284.51 342.10 7.57 o 5 3 3 299.87 174.36 13.70 o 5 3 4 154.63 149.89 13.47 o 5 3 5 149.65 86.64 14.50 o 5 4 0 138.44 104.53 7.01 o 5 4 1 415.53 394.66 7.27 o 5 4 2 139.56 151.64 6.12 o 5 4 3 273.47 317.64 18.53 o 5 4 4 87.98 82.25 21.26 o 5 5 1 44.29 47.65 5.29 o 5 5 2 317.17 318.61 10.41 o 5 5 3 43.91 42.60 15.15 < 6 -11 0 100.55 43.07 13.18 o 6 -11 1 174.74 146.51 6.33 o 6 -11 2 94.71 82.27 8.08 o 6 -10 0 128.13 82.53 8.10 o 6 -10 1 316.35 307.70 10.79 o 6 -10 2 122.48 119.18 6.03 o 6 -10 3 213.89 167.81 20.27 o 6 -9 0 509.64 435.36 16.06 o 6 -9 1 58.37 51.90 4.79 o 6 -9 2 369.37 352.05 7.40 o 6 -9 3 56.09 49.78 14.08 o 6 -9 4 215.98 177.65 27.62 o 6 -8 0 186.29 190.82 8.83 o 6 -8 1 507.59 481.08 6.84 o 6 -8 2 190.40 211.79 6.66 o 6 -8 3 326.76 364.87 11.18 o 6 -8 4 109.32 132.86 9.86 o 6 -7 0 248.73 301.86 12.25 o 6 -7 1 608.97 597.74 9.14 o 6 -7 2 255.42 277.01 6.66 o 6 -7 3 385.89 370.59 9.31 o 6 -7 4 139.81 114.21 10.30 o 6 -7 5 184.54 160.48 12.75 o 6 -6 0 1170.83 1005.66 18.64 o 6 -6 1 115.69 114.89 4.67 o 6 -6 2 765.32 719.73 10.26 o 6 -6 3 107.55 108.46 9.14 o 6 -6 4 413.66 463.24 19.89 o 6 -6 5 71.81 44.68 7.80 o 6 -5 0 137.17 148.57 9.36 o 6 -5 1 1051.95 1036.68 11.10 o 6 -5 2 186.18 180.46 6.87 o 6 -5 3 618.95 562.41 14.79 o 6 -5 4 118.67 133.57 15.69 o 6 -5 5 270.31 244.46 9.12 o 6 -4 0 304.47 312.42 7.64 o 6 -4 1 1132.12 1124.44 10.78 o 6 -4 2 348.76 339.15 7.09 o 6 -4 3 661.64 674.58 15.14 o 6 -4 4 181.27 209.14 13.67 o 6 -3 0 1763.88 1610.17 24.08 o 6 -3 1 127.72 116.35 4.58 o 6 -3 2 1089.46 1020.29 13.97 o 6 -3 4 559.55 564.52 13.42 o 6 -3 5 84.92 81.08 14.61 o 6 -2 0 149.04 150.04 6.22 o 6 -2 1 1172.16 1129.14 11.43 o 6 -2 2 208.73 191.04 6.08 o 6 -2 3 676.97 731.24 19.62 o 6 -2 4 130.22 135.43 5.86 o 6 -2 5 287.86 360.77 15.20 o 6 -1 0 405.07 454.81 8.77 o 6 -1 1 1380.13 1321.65 12.14 o 6 -1 2 417.55 436.26 9.25 o 6 -1 3 782.50 657.41 15.19 o 6 -1 4 206.49 241.55 13.47 o 6 0 0 1167.74 1124.50 18.84 o 6 0 1 108.19 117.09 4.76 o 6 0 2 762.95 614.74 13.45 o 6 0 3 102.27 109.07 8.26 o 6 0 4 412.46 382.22 17.01 o 6 0 5 68.89 64.89 8.56 o 6 1 0 251.89 276.21 9.18 o 6 1 1 865.03 860.14 11.77 o 6 1 2 260.10 302.82 8.77 o 6 1 3 522.74 432.72 17.27 o 6 2 0 253.70 270.30 9.85 o 6 2 1 679.50 674.29 11.07 o 6 2 2 245.40 274.92 8.00 o 6 2 4 135.79 153.83 14.47 o 6 3 0 538.98 518.38 14.37 o 6 3 1 39.32 36.67 6.07 o 6 3 2 390.63 372.35 12.10 o 6 3 3 43.37 6.41 9.59 < 6 3 4 226.45 242.36 20.79 o 6 4 0 151.06 142.94 8.41 o 6 4 1 401.18 450.61 11.24 o 6 4 2 142.81 120.02 8.15 o 6 5 0 71.90 37.31 12.29 o 6 5 1 220.97 163.54 9.45 o 6 5 2 70.22 67.86 9.56 o 7 -11 0 343.53 229.35 22.81 o 7 -11 1 18.15 15.08 5.93 < 7 -11 2 265.99 234.54 10.35 o 7 -10 0 120.01 108.49 10.65 o 7 -10 1 333.30 298.47 7.40 o 7 -10 2 115.55 122.06 6.18 o 7 -10 3 224.42 204.78 18.63 o 7 -9 0 132.87 136.06 9.96 o 7 -9 1 360.70 369.23 7.23 o 7 -9 2 131.10 168.90 7.00 o 7 -9 3 240.49 258.89 14.31 o 7 -9 4 80.44 62.52 16.94 o 7 -8 0 999.11 944.88 24.70 o 7 -8 1 50.90 18.86 4.29 o 7 -8 2 712.89 692.19 15.58 o 7 -8 3 54.30 39.38 7.24 o 7 -8 4 383.72 362.40 11.93 o 7 -7 0 268.01 301.57 9.74 o 7 -7 1 512.66 566.68 8.59 o 7 -7 2 262.99 310.93 6.84 o 7 -7 3 329.68 325.46 8.99 o 7 -7 4 145.52 56.85 9.16 o 7 -6 0 247.88 300.18 12.61 o 7 -6 1 874.84 944.35 15.84 o 7 -6 2 254.72 307.68 7.60 o 7 -6 3 530.71 580.03 12.30 o 7 -6 4 139.38 144.05 17.16 o 7 -5 0 1427.39 1241.56 40.29 o 7 -5 1 116.22 127.82 7.72 o 7 -5 2 945.67 1017.73 15.46 o 7 -5 3 109.97 60.60 6.64 o 7 -5 4 489.54 358.54 16.36 o 7 -5 5 73.35 18.60 17.88 < 7 -4 0 430.12 472.40 11.26 o 7 -4 1 564.61 547.38 7.32 o 7 -4 2 419.92 427.87 11.32 o 7 -4 3 363.58 425.68 16.95 o 7 -4 4 208.05 197.06 9.37 o 7 -4 5 177.66 240.24 14.90 o 7 -3 0 410.32 437.58 9.38 o 7 -3 1 926.40 981.29 10.32 o 7 -3 2 400.95 424.70 18.80 o 7 -3 3 556.90 547.52 13.81 o 7 -3 4 203.73 250.47 7.27 o 7 -3 5 246.61 244.02 12.71 o 7 -2 0 1045.24 1087.33 15.22 o 7 -2 1 121.29 116.76 6.18 o 7 -2 2 693.22 834.94 19.56 o 7 -2 3 109.00 120.96 7.77 o 7 -2 5 71.61 55.65 9.89 o 7 -1 0 252.57 310.66 9.11 o 7 -1 1 615.92 577.84 9.34 o 7 -1 2 260.67 335.51 8.76 o 7 -1 3 388.84 333.52 14.78 o 7 0 0 267.18 284.72 9.32 o 7 0 1 511.04 593.71 8.00 o 7 0 2 260.45 335.77 9.37 o 7 0 3 329.77 302.19 11.32 o 7 0 4 144.43 58.77 9.20 o 7 1 0 636.90 709.33 12.70 o 7 1 1 51.12 57.53 6.03 o 7 1 2 453.65 520.87 9.63 o 7 1 4 259.28 239.60 17.12 o 7 2 0 83.69 49.07 7.31 o 7 2 1 380.62 386.51 8.73 o 7 2 2 89.17 124.25 12.31 o 7 2 3 252.72 228.11 13.43 o 7 2 4 60.56 25.57 14.37 < 7 3 0 99.51 63.10 10.89 o 7 3 1 269.73 255.24 10.99 o 7 3 2 97.17 80.93 9.06 o 7 3 3 184.58 145.37 15.18 o 7 4 0 287.37 271.66 12.59 o 7 4 1 17.42 15.17 8.68 < 7 4 2 222.77 221.86 20.98 o 8 -11 0 59.93 118.16 22.01 o 8 -11 1 189.04 286.37 13.81 o 8 -10 0 309.97 302.35 9.75 o 8 -10 1 29.64 29.04 4.95 o 8 -10 2 236.41 239.12 10.23 o 8 -9 0 133.43 102.35 9.91 o 8 -9 1 297.19 294.13 8.73 o 8 -9 2 129.43 149.06 8.13 o 8 -9 3 200.74 223.71 11.08 o 8 -8 0 194.99 176.46 12.91 o 8 -8 1 355.31 342.13 7.49 o 8 -8 2 185.50 245.28 9.61 o 8 -8 3 237.28 197.97 12.60 o 8 -8 4 109.82 59.73 9.20 o 8 -7 0 632.87 465.86 14.18 o 8 -7 1 46.76 40.46 6.18 o 8 -7 2 450.42 455.87 11.06 o 8 -7 3 48.78 73.48 8.34 o 8 -7 4 257.51 248.49 17.02 o 8 -6 0 257.09 263.92 11.53 o 8 -6 1 677.40 763.72 9.72 o 8 -6 2 249.86 226.41 9.76 o 8 -6 3 423.66 199.26 26.50 o 8 -6 4 138.05 129.29 13.40 o 8 -5 0 291.66 239.49 8.54 o 8 -5 1 459.10 475.66 7.36 o 8 -5 2 280.65 327.70 9.78 o 8 -5 3 299.88 335.81 12.94 o 8 -5 4 152.71 182.13 9.07 o 8 -5 5 149.05 150.30 17.93 o 8 -4 0 1125.08 1254.69 17.89 o 8 -4 1 37.38 20.73 4.85 o 8 -4 2 776.41 732.26 13.62 o 8 -4 3 47.48 23.57 12.67 < 8 -4 4 413.02 483.50 18.12 o 8 -4 5 40.97 6.17 15.14 < 8 -3 0 275.31 340.85 8.78 o 8 -3 1 750.27 902.28 9.90 o 8 -3 2 268.98 345.30 10.01 o 8 -3 3 463.76 453.27 24.55 o 8 -3 5 212.76 227.14 14.06 o 8 -2 0 182.72 202.64 7.71 o 8 -2 1 505.87 541.77 8.13 o 8 -2 2 185.98 255.12 14.22 o 8 -2 4 107.37 109.08 9.68 o 8 -1 0 999.11 1024.02 14.85 o 8 -1 1 50.86 18.29 5.46 o 8 -1 2 712.89 499.07 29.30 o 8 -1 4 383.72 353.66 13.46 o 8 0 0 194.18 234.24 8.91 o 8 0 1 353.03 370.91 7.46 o 8 0 2 185.99 253.55 12.72 o 8 0 3 235.07 232.16 13.30 o 8 0 4 109.96 70.68 13.08 o 8 1 0 118.73 137.01 12.06 o 8 1 1 357.23 360.04 9.22 o 8 1 2 116.07 110.93 8.14 o 8 1 3 239.07 221.98 13.34 o 8 2 0 411.91 296.70 18.33 o 8 2 1 39.84 29.90 6.81 o 8 2 2 313.99 276.16 18.59 o 8 3 0 92.47 71.83 11.22 o 8 3 1 143.52 93.31 12.43 o 9 -10 0 82.47 45.25 8.33 o 9 -10 1 240.04 214.56 8.78 o 9 -10 2 79.35 61.09 12.28 o 9 -9 0 343.08 296.10 14.01 o 9 -9 1 29.57 21.52 5.87 o 9 -9 2 260.12 277.79 10.86 o 9 -9 3 30.68 33.24 14.68 < 9 -8 0 119.70 82.85 10.62 o 9 -8 1 355.67 453.32 12.57 o 9 -8 2 117.63 132.05 9.32 o 9 -8 3 237.35 245.88 9.05 o 9 -7 0 86.13 79.36 10.39 o 9 -7 1 378.29 421.35 9.66 o 9 -7 2 90.44 100.81 9.32 o 9 -7 3 251.87 251.60 13.44 o 9 -7 4 61.94 37.02 25.76 < 9 -6 1 40.01 35.16 6.19 o 9 -6 2 395.92 389.32 19.56 o 9 -6 3 43.90 18.13 7.84 < 9 -5 0 135.82 148.23 11.79 o 9 -5 1 412.45 450.38 9.24 o 9 -5 2 138.46 138.53 7.51 o 9 -5 3 270.60 246.61 12.28 o 9 -4 0 108.54 86.45 7.79 o 9 -4 1 435.66 459.36 8.55 o 9 -4 2 113.63 82.27 7.09 o 9 -3 0 513.21 491.58 11.39 o 9 -3 1 54.33 60.11 6.17 o 9 -3 2 372.25 421.01 15.76 o 9 -3 3 52.94 53.56 17.06 o 9 -2 0 134.85 122.38 8.07 o 9 -2 1 356.86 338.60 7.47 o 9 -2 2 133.66 179.18 13.92 o 9 -2 4 81.62 72.67 19.68 o 9 -1 0 133.21 107.17 8.17 o 9 -1 1 301.08 333.50 9.32 o 9 -1 2 128.45 162.02 11.03 o 9 -1 3 203.92 222.88 16.17 o 9 0 0 341.08 336.80 14.14 o 9 0 1 26.94 13.60 5.71 < 9 0 2 258.48 291.63 13.35 o 9 0 3 28.57 44.19 23.06 < 9 1 0 96.46 43.98 8.19 o 9 1 1 245.18 204.25 13.34 o 9 1 2 91.22 75.03 5.74 o 10 -10 0 52.65 44.12 11.43 o 10 -9 0 93.26 77.92 9.09 o 10 -9 1 247.09 223.17 10.64 o 10 -9 2 88.04 100.36 22.60 o 10 -8 0 412.47 515.86 17.02 o 10 -8 1 39.55 60.25 8.14 o 10 -8 2 314.46 250.31 14.57 o 10 -7 0 101.22 41.76 8.29 o 10 -7 1 267.38 345.85 8.82 o 10 -7 2 99.21 89.99 7.50 o 10 -6 0 148.67 80.79 12.84 o 10 -6 1 403.61 422.86 11.66 o 10 -6 2 140.01 157.37 8.44 o 10 -6 3 267.95 233.55 16.72 o 10 -5 0 421.33 484.47 14.35 o 10 -5 1 45.93 52.42 6.38 o 10 -5 2 315.10 299.85 12.26 o 10 -5 3 45.22 63.99 12.77 o 10 -4 0 131.51 125.40 9.23 o 10 -4 1 315.16 355.76 8.75 o 10 -4 2 126.05 97.84 8.13 o 10 -4 3 212.51 192.13 20.42 o 10 -3 0 120.60 148.06 10.89 o 10 -3 1 331.75 386.84 9.31 o 10 -3 2 115.36 104.26 9.27 o 10 -3 3 223.96 139.07 24.78 o 10 -2 0 309.90 250.57 13.64 o 10 -2 1 32.12 27.62 5.77 o 10 -2 2 236.35 218.34 10.16 o 10 -2 3 32.37 1.87 18.72 < 10 -1 0 82.54 58.01 8.57 o 10 -1 1 241.29 169.59 18.05 o 10 -1 2 79.85 70.28 15.56 o 10 0 0 53.54 82.07 21.46 o 11 -8 0 91.39 52.67 12.15 o 11 -8 1 143.93 159.50 12.83 o 11 -7 1 17.42 17.90 7.15 < 11 -7 2 220.87 301.69 21.16 o 11 -6 0 72.17 59.26 11.93 o 11 -6 1 223.02 227.91 7.99 o 11 -6 2 70.85 63.50 19.14 o 11 -5 0 97.29 86.38 11.32 o 11 -5 1 174.06 145.58 6.98 o 11 -5 2 91.47 97.09 22.20 o 11 -4 0 344.09 276.33 27.23 o 11 -4 1 18.27 15.83 6.06 < 11 -4 2 266.45 269.36 24.20 o 11 -3 0 58.88 42.63 8.50 o 11 -3 1 188.26 177.75 11.72 o data_Ik _database_code_depnum_ccdc_archive 'CCDC 872712' #TrackingRef '- naprf4_4.39 GPa.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Na1.5 Pr1.5' _chemical_formula_weight 359.8 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 6.011(2) _cell_length_b 6.011(2) _cell_length_c 3.702(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 115.84(14) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 1 1 1 0 0 0 1 0 0 0 1 2 0 0 1 0 -1 1 0 0 0 1 3 0 -1 0 0 -1 1 0 0 0 1 4 0 -1 1 0 0 1 0 0 0 1 _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.1565 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 159 _exptl_absorpt_coefficient_mu 3.34 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type ? _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.4 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 1977 _diffrn_reflns_theta_min 2.2 _diffrn_reflns_theta_max 22.47 _diffrn_reflns_theta_full 22.21 _diffrn_measured_fraction_theta_max 0.8 _diffrn_measured_fraction_theta_full 0.81 _diffrn_reflns_av_R_equivalents 0.1004 _diffrn_reflns_av_sigmaI/netI 0.025 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -5 _diffrn_reflns_limit_l_max 5 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 502 _reflns_number_gt 488 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0539 _refine_ls_wR_factor_gt 0.0575 _refine_ls_R_factor_all 0.0566 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 3.25 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 502 _refine_ls_number_parameters 15 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0248 _refine_ls_shift/su_mean 0.0094 _refine_diff_density_max 2.68 _refine_diff_density_min -4.45 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 1600(200) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0032 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0088 0.0074 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Pr -1.1316 1.0322 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pr1 Pr 0 0 0 Uani 0.0080(2) 1 1 d . . . Na1 Na 0.333333 0.666667 0.738(13) Uani 0.059(10) 2 0.5 d . . . Pr2 Pr 0.666667 0.333333 0.5 Uani 0.0132(6) 1 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.0132(6) 1 0.5 d . . . F1 F 0.6284(19) 0.0453(19) 0 Uiso 0.0217(19) 3 1 d . . . F2 F 0.7213(17) 0.7472(15) 0.5 Uiso 0.0201(17) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pr1 Pr 0.0092(3) 0.0092(3) 0.0055(5) 0.00460(13) 0 0 Na1 Na 0.030(4) 0.030(4) 0.12(3) 0.015(2) 0 0 Pr2 Pr 0.0094(5) 0.0094(5) 0.0207(16) 0.0047(3) 0 0 Na2 Na 0.0094(5) 0.0094(5) 0.0207(16) 0.0047(3) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Pr1 F1 . 1_455 2.382(13) ? Pr1 F1 . 2_545 2.382(17) ? Pr1 F1 . 3_665 2.382(11) ? Pr1 F2 . 1_444 2.449(6) ? Pr1 F2 . 1_445 2.449(6) ? Pr1 F2 . 2_654 2.449(8) ? Pr1 F2 . 2_655 2.449(8) ? Pr1 F2 . 3_564 2.449(8) ? Pr1 F2 . 3_565 2.449(8) ? Na1 F1 . 1_566 2.29(2) ? Na1 F1 . 2_556 2.29(2) ? Na1 F1 . 3_666 2.29(2) ? Na1 F2 . . 2.31(2) ? Na1 F2 . 2_665 2.31(2) ? Na1 F2 . 3_565 2.31(2) ? Pr2 F1 . . 2.466(9) ? Pr2 F1 . 1_556 2.466(9) ? Pr2 F1 . 2_655 2.466(7) ? Pr2 F1 . 2_656 2.466(7) ? Pr2 F1 . 3_665 2.466(12) ? Pr2 F1 . 3_666 2.466(12) ? Pr2 F2 . . 2.341(10) ? Pr2 F2 . 2_655 2.341(8) ? Pr2 F2 . 3_665 2.341(15) ? Na2 F1 . . 2.466(9) ? Na2 F1 . 1_556 2.466(9) ? Na2 F1 . 2_655 2.466(7) ? Na2 F1 . 2_656 2.466(7) ? Na2 F1 . 3_665 2.466(12) ? Na2 F1 . 3_666 2.466(12) ? Na2 F2 . . 2.341(10) ? Na2 F2 . 2_655 2.341(8) ? Na2 F2 . 3_665 2.341(15) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 -1 0 1631.91 1742.11 16.37 o 1 0 0 1626.35 1763.34 16.58 o 1 1 0 4587.78 4598.27 54.96 o 1 1 1 947.02 966.40 10.83 o 2 -3 0 1444.11 1371.69 14.59 o 2 -3 1 3592.82 3325.45 32.06 o 2 -3 2 1352.97 1261.93 18.08 o 2 -2 0 1254.71 1272.81 11.97 o 2 -2 1 5340.48 5351.06 55.91 o 2 -2 2 1253.62 1375.94 35.53 o 2 -1 0 4586.91 4641.61 55.69 o 2 -1 1 992.61 915.93 10.22 o 2 0 0 1256.60 1338.05 13.87 o 2 0 1 5323.42 5680.16 53.44 o 2 0 2 1268.79 1582.27 39.39 o 2 1 0 269.45 228.15 7.42 o 2 1 1 2977.47 3104.73 28.00 o 2 1 2 401.25 396.23 12.90 o 2 2 0 3088.60 2934.63 37.23 o 2 2 1 262.27 241.13 6.04 o 2 2 2 1631.71 1644.07 19.52 o 2 2 3 214.99 246.05 10.07 o 3 -5 0 354.93 412.48 9.32 o 3 -5 1 1613.32 1691.09 15.58 o 3 -5 2 441.77 484.79 9.11 o 3 -5 3 875.91 845.65 12.89 o 3 -5 4 233.91 253.19 8.78 o 3 -4 0 1072.39 1049.50 12.30 o 3 -4 1 1125.32 1180.98 11.68 o 3 -4 2 1022.93 1080.59 14.54 o 3 -4 3 704.00 728.31 13.88 o 3 -3 0 6368.15 6143.72 57.29 o 3 -3 1 238.02 229.07 5.00 o 3 -3 2 3044.49 3371.78 42.64 o 3 -2 0 229.41 214.79 7.27 o 3 -2 1 2968.06 2771.47 25.11 o 3 -2 2 387.57 370.52 16.03 o 3 -1 0 1424.66 1309.03 18.22 o 3 -1 1 3608.67 3268.81 24.63 o 3 -1 2 1327.97 1279.41 23.31 o 3 0 0 6365.99 6609.43 68.76 o 3 0 1 232.24 221.37 4.27 o 3 0 2 3043.24 3496.64 43.80 o 3 0 3 208.50 285.80 17.91 o 3 1 0 456.90 489.55 9.44 o 3 1 1 1787.34 1839.39 18.39 o 3 1 2 581.93 590.44 12.09 o 3 1 3 971.32 1037.70 19.83 o 3 2 0 888.53 871.76 13.14 o 3 2 1 2646.10 2733.59 25.85 o 3 2 2 835.51 787.10 12.31 o 3 2 3 1316.54 1200.76 21.50 o 3 2 4 350.76 319.02 17.53 o 3 3 0 1685.35 1477.62 18.59 o 3 3 1 125.00 122.73 4.71 o 3 3 2 1053.58 1124.36 15.12 o 3 3 3 123.38 152.86 7.31 o 3 3 4 542.02 510.82 17.97 o 3 3 5 96.11 53.73 10.00 o 4 -7 0 405.15 384.54 8.05 o 4 -7 1 884.95 856.99 9.50 o 4 -7 2 389.93 391.99 10.06 o 4 -7 3 534.79 566.19 16.30 o 4 -7 4 203.78 208.12 6.32 o 4 -7 5 239.70 248.66 9.94 o 4 -6 0 164.98 145.62 6.14 o 4 -6 1 1129.58 1128.63 11.09 o 4 -6 2 216.04 172.62 8.02 o 4 -6 3 661.38 574.46 10.56 o 4 -6 4 145.38 141.09 7.61 o 4 -6 5 286.10 259.01 12.25 o 4 -5 0 2774.26 2629.85 26.73 o 4 -5 1 147.71 249.92 8.55 o 4 -5 2 1638.58 1632.19 21.38 o 4 -5 3 143.57 98.44 8.10 o 4 -5 4 769.08 737.72 13.89 o 4 -4 0 983.22 915.94 11.97 o 4 -4 1 962.77 950.82 10.01 o 4 -4 2 936.05 943.91 15.81 o 4 -4 3 622.93 572.10 10.43 o 4 -3 0 466.77 480.65 8.98 o 4 -3 1 1797.84 1687.84 16.57 o 4 -3 2 580.53 660.05 16.13 o 4 -3 3 977.70 1051.10 30.25 o 4 -2 0 3087.44 2972.91 38.08 o 4 -2 1 252.49 215.14 5.26 o 4 -2 2 1630.96 1700.31 15.35 o 4 -2 3 209.65 246.85 14.04 o 4 -1 0 1089.66 1083.50 16.84 o 4 -1 1 1131.79 1142.49 9.87 o 4 -1 2 1043.20 1024.15 12.63 o 4 -1 3 706.41 771.40 17.02 o 4 0 0 973.51 1007.71 14.69 o 4 0 1 960.96 911.64 8.83 o 4 0 2 921.92 810.78 12.12 o 4 0 3 622.46 572.35 10.75 o 4 1 0 2111.82 2214.06 26.48 o 4 1 1 131.07 236.94 7.60 o 4 1 2 1243.59 1349.36 17.52 o 4 1 3 136.02 105.58 8.56 o 4 1 4 627.17 603.07 20.44 o 4 2 0 318.66 287.26 8.67 o 4 2 1 1070.59 1003.71 11.16 o 4 2 2 356.23 393.29 9.66 o 4 2 3 632.86 588.82 14.60 o 4 2 4 193.35 193.23 9.94 o 4 3 0 420.83 419.08 11.42 o 4 3 1 538.68 504.02 7.33 o 4 3 2 399.53 442.37 10.14 o 4 3 3 354.71 398.96 16.32 o 4 3 4 205.75 239.44 9.41 o 4 3 5 177.20 222.49 18.38 o 4 4 0 1025.59 1035.95 17.42 o 4 4 1 53.13 63.69 4.96 o 4 4 2 716.90 772.14 13.85 o 4 4 3 58.97 25.74 8.29 o 4 4 4 380.64 433.39 17.08 o 4 4 5 53.93 64.24 14.94 o 5 -9 0 100.62 95.74 7.07 o 5 -9 1 409.95 435.66 7.14 o 5 -9 2 105.49 86.61 6.87 o 5 -9 3 269.98 273.06 15.52 o 5 -8 0 250.61 280.76 8.11 o 5 -8 1 703.66 760.83 9.80 o 5 -8 2 240.35 293.94 11.93 o 5 -8 3 437.66 452.20 21.84 o 5 -8 4 138.24 141.20 10.93 o 5 -7 0 996.11 967.19 14.25 o 5 -7 1 109.04 73.55 6.00 o 5 -7 2 671.22 668.89 10.98 o 5 -7 3 98.81 130.84 8.81 o 5 -7 4 367.34 349.28 9.38 o 5 -7 5 76.04 51.60 7.98 o 5 -6 0 394.62 365.68 8.17 o 5 -6 1 1290.42 1228.39 11.14 o 5 -6 2 402.66 401.61 8.37 o 5 -6 3 734.03 751.09 16.43 o 5 -6 4 207.62 228.21 7.61 o 5 -6 5 306.40 267.46 8.17 o 5 -5 0 617.00 863.28 16.16 o 5 -5 1 1530.73 1441.97 12.74 o 5 -5 2 597.58 598.49 12.06 o 5 -5 3 845.76 784.03 26.46 o 5 -5 4 280.27 278.68 8.31 o 5 -4 0 2108.22 2216.64 23.53 o 5 -4 1 128.62 178.54 6.81 o 5 -4 2 1241.09 1367.23 16.66 o 5 -4 3 134.52 103.85 12.56 o 5 -4 4 626.14 733.90 16.60 o 5 -3 0 901.92 973.23 14.48 o 5 -3 1 2630.92 2421.06 22.56 o 5 -3 2 851.61 863.31 12.07 o 5 -3 3 1306.09 1240.63 20.83 o 5 -3 4 357.53 456.12 20.65 o 5 -2 0 361.16 429.86 11.57 o 5 -2 1 1612.18 1614.55 15.28 o 5 -2 2 440.50 412.89 5.72 o 5 -2 3 876.18 849.23 14.51 o 5 -2 4 235.22 296.02 16.20 o 5 -1 0 2773.39 2884.34 38.59 o 5 -1 1 152.22 239.13 6.94 o 5 -1 2 1637.82 1695.73 16.71 o 5 -1 3 146.37 96.05 7.31 o 5 -1 4 768.67 710.02 20.21 o 5 0 0 621.80 757.01 16.96 o 5 0 1 1524.67 1503.46 14.15 o 5 0 2 605.89 619.93 9.00 o 5 0 3 841.31 771.05 17.73 o 5 0 4 283.62 290.67 9.56 o 5 1 0 156.17 142.13 9.27 o 5 1 1 1017.30 1012.07 11.27 o 5 1 2 197.62 156.70 6.57 o 5 1 3 604.37 594.22 14.45 o 5 1 4 134.50 136.94 9.25 o 5 1 5 266.68 209.92 8.51 o 5 2 0 1353.69 1101.71 31.86 o 5 2 1 103.66 49.66 7.23 o 5 2 2 909.80 940.34 12.27 o 5 2 3 98.77 81.26 6.66 o 5 2 5 77.20 45.56 14.13 o 5 3 0 276.27 332.50 12.87 o 5 3 1 436.86 430.58 7.22 o 5 3 2 262.78 310.06 9.31 o 5 3 3 289.36 254.64 10.21 o 5 3 4 148.31 149.34 13.34 o 5 3 5 147.74 208.33 19.70 o 5 4 0 128.35 142.04 11.40 o 5 4 1 397.99 400.73 7.10 o 5 4 2 128.24 121.35 7.60 o 5 4 3 263.66 289.11 13.46 o 5 4 4 85.86 72.94 18.11 o 5 5 1 39.16 41.57 5.13 o 5 5 2 292.42 353.41 12.27 o 5 5 3 40.27 18.75 9.74 < 6 -11 0 95.38 61.56 13.53 o 6 -11 1 156.75 143.61 8.75 o 6 -11 2 88.22 176.60 22.14 o 6 -10 0 127.87 129.95 6.99 o 6 -10 1 288.80 292.40 7.53 o 6 -10 2 119.28 126.79 9.15 o 6 -10 3 196.41 162.27 16.28 o 6 -9 0 477.57 398.21 9.39 o 6 -9 1 57.97 61.68 5.13 o 6 -9 2 353.17 326.34 10.53 o 6 -9 3 55.93 41.31 12.87 o 6 -8 0 188.53 168.79 6.32 o 6 -8 1 470.02 497.55 7.33 o 6 -8 2 187.26 225.51 8.99 o 6 -8 3 307.44 437.61 20.28 o 6 -8 4 113.35 87.62 8.78 o 6 -7 0 266.43 201.72 7.62 o 6 -7 1 575.45 600.87 8.31 o 6 -7 2 263.36 279.98 8.39 o 6 -7 3 369.57 314.95 10.59 o 6 -7 4 149.89 127.27 11.71 o 6 -6 0 1111.08 1049.97 14.55 o 6 -6 1 116.67 101.76 4.85 o 6 -6 2 738.79 686.09 13.24 o 6 -6 3 105.49 124.57 10.52 o 6 -6 4 400.47 334.29 20.52 o 6 -6 5 80.94 98.12 12.78 o 6 -5 0 146.34 164.89 7.03 o 6 -5 1 1016.71 1016.08 11.12 o 6 -5 2 192.83 161.82 8.08 o 6 -5 3 603.67 546.56 19.25 o 6 -5 4 130.31 126.09 12.84 o 6 -5 5 266.69 223.36 7.62 o 6 -4 0 317.33 277.40 7.33 o 6 -4 1 1073.61 1031.65 10.99 o 6 -4 2 351.67 366.91 7.56 o 6 -4 3 635.07 937.54 24.81 o 6 -4 4 192.37 140.06 14.49 o 6 -3 0 1691.16 1443.02 26.88 o 6 -3 1 121.71 101.03 4.74 o 6 -3 2 1057.89 1077.96 13.26 o 6 -3 3 121.20 130.87 9.80 o 6 -3 4 544.03 525.48 18.08 o 6 -2 0 154.35 132.12 8.14 o 6 -2 1 1123.21 1058.84 10.77 o 6 -2 2 211.22 224.26 5.60 o 6 -2 3 657.34 652.66 9.52 o 6 -2 4 141.09 97.84 9.06 o 6 -2 5 284.79 299.52 13.52 o 6 -1 0 389.25 376.12 10.08 o 6 -1 1 1301.24 1316.57 12.35 o 6 -1 2 395.23 370.45 6.60 o 6 -1 3 741.24 720.25 10.94 o 6 -1 4 204.62 207.23 8.82 o 6 -1 5 309.51 317.24 11.95 o 6 0 0 1109.02 1112.73 19.09 o 6 0 1 109.12 92.38 5.54 o 6 0 2 737.34 647.45 9.70 o 6 0 3 100.18 101.34 7.13 o 6 0 4 399.89 387.71 19.95 o 6 1 0 252.10 234.45 9.84 o 6 1 1 805.68 842.42 12.13 o 6 1 2 253.47 264.78 7.82 o 6 1 3 491.29 485.71 13.05 o 6 1 4 144.93 147.22 9.83 o 6 1 5 222.26 255.54 20.03 o 6 2 0 244.10 295.42 10.61 o 6 2 1 626.41 664.64 12.39 o 6 2 2 230.79 248.00 7.78 o 6 2 3 394.79 336.86 10.64 o 6 2 4 131.75 136.71 11.38 o 6 3 0 500.60 648.61 28.16 o 6 3 1 44.87 35.29 5.97 o 6 3 2 369.96 322.70 10.01 o 6 3 3 47.66 18.80 6.00 o 6 3 4 214.95 221.93 19.52 o 6 4 0 142.10 165.41 12.25 o 6 4 1 363.29 334.95 9.56 o 6 4 2 131.45 134.45 7.21 o 6 5 0 70.39 57.04 17.03 o 6 5 1 198.29 181.27 7.38 o 6 5 2 67.32 76.56 15.31 o 7 -11 0 304.37 232.45 7.80 o 7 -11 1 18.65 3.44 12.46 < 7 -10 0 114.24 87.16 6.23 o 7 -10 1 297.46 333.75 8.03 o 7 -10 2 107.74 106.29 10.23 o 7 -10 3 201.38 193.37 18.36 o 7 -9 0 128.98 133.77 6.98 o 7 -9 1 329.35 339.85 7.94 o 7 -9 2 124.62 124.85 8.98 o 7 -9 3 222.10 379.51 22.22 o 7 -9 4 80.76 73.63 16.12 o 7 -8 0 912.75 911.48 17.82 o 7 -8 1 50.85 33.35 5.14 o 7 -8 2 658.69 809.31 34.38 o 7 -8 3 53.59 43.24 10.10 o 7 -7 0 257.77 242.26 7.92 o 7 -7 1 480.61 568.92 8.35 o 7 -7 2 248.13 329.61 11.00 o 7 -7 3 313.83 360.24 11.77 o 7 -7 4 143.08 132.56 13.25 o 7 -6 0 249.54 222.51 8.59 o 7 -6 1 812.12 761.90 8.94 o 7 -6 2 249.55 294.97 10.27 o 7 -6 3 495.80 517.14 20.27 o 7 -6 4 143.41 134.48 12.69 o 7 -5 0 1351.43 1194.99 23.04 o 7 -5 1 105.35 51.50 6.34 o 7 -5 2 908.05 987.02 12.28 o 7 -5 3 99.99 195.97 12.90 o 7 -5 4 467.77 438.34 17.26 o 7 -5 5 77.88 25.01 12.18 < 7 -4 0 426.97 357.05 12.41 o 7 -4 1 539.50 498.42 8.68 o 7 -4 2 407.01 425.17 8.77 o 7 -4 3 355.24 379.96 12.88 o 7 -4 4 209.25 161.90 11.11 o 7 -3 0 402.24 391.49 11.82 o 7 -3 1 889.49 781.05 9.24 o 7 -3 2 384.92 410.80 8.70 o 7 -3 3 538.08 605.93 16.57 o 7 -3 4 201.55 163.80 5.89 o 7 -2 0 994.40 974.41 18.21 o 7 -2 1 115.92 78.95 5.12 o 7 -2 2 669.85 781.94 9.19 o 7 -2 3 103.75 160.26 8.57 o 7 -2 4 366.56 376.29 7.90 o 7 -1 0 268.95 206.57 13.22 o 7 -1 1 577.44 610.05 8.25 o 7 -1 2 267.26 271.01 7.02 o 7 -1 3 370.66 297.16 10.45 o 7 -1 4 151.41 107.87 9.15 o 7 -1 5 180.81 77.02 11.07 o 7 0 0 256.72 276.28 11.83 o 7 0 1 481.51 538.39 9.51 o 7 0 2 245.71 313.24 9.13 o 7 0 3 314.48 336.98 7.94 o 7 0 4 142.07 135.75 10.02 o 7 1 0 585.66 677.02 14.87 o 7 1 1 58.23 35.43 5.79 o 7 1 2 424.51 439.30 10.70 o 7 1 3 57.49 50.36 8.37 o 7 1 4 243.33 251.18 13.07 o 7 2 0 86.58 93.66 9.84 o 7 2 1 349.97 347.54 10.63 o 7 2 2 89.77 92.27 9.26 o 7 2 3 234.89 231.83 10.64 o 7 2 4 64.64 122.25 18.78 o 7 3 0 96.84 125.85 10.17 o 7 3 1 242.56 296.05 10.92 o 7 3 2 92.82 51.67 8.94 o 7 4 0 256.04 285.00 14.53 o 7 4 1 19.69 27.45 17.80 < 8 -11 0 54.59 36.28 9.05 o 8 -10 0 282.59 276.39 7.62 o 8 -10 1 31.19 21.78 4.85 o 8 -10 2 219.74 179.68 11.47 o 8 -9 0 123.15 132.42 7.26 o 8 -9 1 281.41 281.29 6.95 o 8 -9 2 117.54 126.41 12.87 o 8 -9 3 191.87 174.95 11.69 o 8 -8 0 169.86 182.97 7.48 o 8 -8 1 339.14 345.34 6.55 o 8 -8 2 160.48 240.70 11.61 o 8 -8 3 228.07 240.36 11.45 o 8 -8 4 99.76 77.55 15.58 o 8 -7 0 584.14 635.54 11.31 o 8 -7 1 54.02 53.31 4.81 o 8 -7 2 423.36 492.72 12.88 o 8 -7 3 54.25 50.84 9.97 o 8 -6 0 248.59 203.00 8.96 o 8 -6 1 622.75 669.31 9.75 o 8 -6 2 235.87 223.34 7.72 o 8 -6 3 392.02 428.15 12.69 o 8 -6 4 134.36 116.09 16.31 o 8 -5 0 272.96 288.06 13.02 o 8 -5 1 436.11 422.52 7.17 o 8 -5 2 258.51 349.17 8.45 o 8 -5 3 288.89 375.97 13.01 o 8 -5 4 146.24 161.35 14.39 o 8 -5 5 147.27 114.37 15.23 o 8 -4 0 1023.97 1061.29 22.25 o 8 -4 1 51.79 41.79 4.44 o 8 -4 2 715.64 745.74 12.29 o 8 -4 3 57.97 44.02 10.82 o 8 -4 4 380.02 411.25 17.25 o 8 -4 5 53.36 8.97 10.94 < 8 -3 0 252.82 287.33 10.35 o 8 -3 1 699.71 684.85 9.04 o 8 -3 2 243.72 327.03 8.59 o 8 -3 3 434.65 485.17 18.77 o 8 -3 5 200.67 227.40 20.69 o 8 -2 0 186.31 169.71 9.98 o 8 -2 1 468.96 504.74 8.20 o 8 -2 2 184.22 197.10 6.66 o 8 -2 3 306.88 391.85 10.08 o 8 -2 4 112.17 134.73 8.83 o 8 -1 0 912.78 822.52 18.23 o 8 -1 1 50.84 28.18 4.93 o 8 -1 2 658.71 690.10 17.38 o 8 -1 3 53.58 38.36 6.66 o 8 -1 4 351.62 327.90 9.19 o 8 0 0 170.46 183.74 9.78 o 8 0 1 336.82 376.82 6.95 o 8 0 2 161.85 234.03 9.97 o 8 0 3 226.49 216.70 8.26 o 8 0 4 100.38 82.70 11.77 o 8 1 0 114.01 102.90 10.51 o 8 1 1 334.87 339.43 8.45 o 8 1 2 109.31 151.66 9.40 o 8 1 3 224.89 212.11 8.60 o 8 2 0 371.44 539.65 33.40 o 8 2 1 31.51 26.66 9.18 < 8 2 2 287.02 252.49 12.70 o 8 3 0 86.27 81.89 22.54 o 8 3 1 133.11 279.66 24.37 o 9 -10 0 79.64 54.24 7.11 o 9 -10 1 218.19 198.96 11.06 o 9 -9 0 306.30 306.67 8.10 o 9 -9 1 33.61 20.69 4.40 o 9 -9 2 236.75 202.09 16.43 o 9 -9 3 34.38 73.86 23.39 o 9 -8 0 114.68 100.69 6.88 o 9 -8 1 333.85 335.31 6.82 o 9 -8 2 110.44 124.07 9.36 o 9 -8 3 224.02 257.53 13.24 o 9 -7 0 88.75 56.42 6.58 o 9 -7 1 349.60 358.03 7.49 o 9 -7 2 91.03 88.38 9.53 o 9 -7 3 234.74 168.32 16.96 o 9 -7 4 65.92 81.62 21.20 o 9 -6 1 45.70 28.75 6.50 o 9 -6 2 372.41 349.58 9.16 o 9 -6 3 48.30 37.76 13.09 < 9 -6 4 216.24 192.75 24.97 o 9 -5 0 126.70 95.33 7.97 o 9 -5 1 396.81 360.73 6.99 o 9 -5 2 127.68 105.46 6.13 o 9 -5 3 262.79 320.64 14.45 o 9 -5 4 85.06 78.42 15.92 o 9 -4 0 102.79 116.07 8.78 o 9 -4 1 413.14 372.84 7.50 o 9 -4 2 106.56 86.07 6.40 o 9 -4 3 272.16 316.29 10.92 o 9 -3 0 479.79 447.22 13.42 o 9 -3 1 54.31 65.35 5.94 o 9 -3 2 354.98 363.33 8.81 o 9 -3 3 53.07 48.31 10.51 o 9 -3 4 207.84 234.85 21.70 o 9 -2 0 130.55 123.71 9.86 o 9 -2 1 327.65 344.96 7.55 o 9 -2 2 126.61 137.84 7.64 o 9 -2 3 220.90 275.45 9.92 o 9 -2 4 81.61 212.78 25.28 o 9 -1 0 122.06 125.43 9.84 o 9 -1 1 283.97 276.80 8.35 o 9 -1 2 116.04 138.50 8.83 o 9 -1 3 193.62 222.42 8.95 o 9 0 0 306.06 272.99 11.17 o 9 0 1 31.22 10.40 5.21 < 9 0 2 236.59 275.32 13.55 o 9 0 3 32.47 69.59 19.38 o 9 1 0 90.72 48.93 11.75 o 9 1 1 218.12 166.86 10.73 o 10 -9 0 88.27 73.96 8.75 o 10 -9 1 219.79 204.26 7.84 o 10 -8 0 371.45 363.95 23.42 o 10 -8 1 31.31 40.12 7.09 o 10 -8 2 287.02 223.36 13.02 o 10 -7 0 97.45 76.74 10.58 o 10 -7 1 240.56 227.80 8.62 o 10 -7 2 93.76 83.75 7.76 o 10 -6 0 139.53 100.43 8.48 o 10 -6 1 366.10 360.82 11.87 o 10 -6 2 128.67 119.38 6.62 o 10 -6 3 242.98 203.12 12.63 o 10 -5 1 40.45 44.66 6.01 o 10 -5 2 290.89 276.73 8.22 o 10 -5 3 41.29 22.78 11.10 < 10 -4 0 130.02 135.30 10.73 o 10 -4 1 287.21 275.39 7.45 o 10 -4 2 121.65 104.63 6.14 o 10 -4 3 195.22 180.20 12.26 o 10 -3 0 113.76 99.51 8.90 o 10 -3 1 298.11 321.60 9.29 o 10 -3 2 106.82 117.69 9.01 o 10 -3 3 202.01 189.19 12.70 o 10 -2 0 281.74 257.49 11.57 o 10 -2 1 33.46 6.77 6.04 < 10 -2 2 219.03 210.44 9.18 o 10 -1 0 79.97 45.87 11.24 o 10 -1 1 218.18 185.63 11.84 o 10 -1 2 75.71 149.49 23.11 o 11 -8 0 85.28 56.56 19.47 < 11 -8 1 133.61 154.88 14.30 o 11 -7 0 255.41 219.88 16.85 o 11 -7 1 19.76 10.96 7.22 < 11 -6 0 71.01 53.82 13.18 o 11 -6 1 198.46 152.88 9.51 o 11 -6 2 68.11 84.86 11.44 o 11 -5 0 93.31 19.14 16.07 < 11 -5 1 156.66 121.94 12.01 o 11 -5 2 86.13 103.11 11.59 o 11 -4 0 304.75 225.19 12.47 o 11 -4 1 18.88 15.50 7.75 < 11 -3 0 53.94 59.02 12.03 o 11 -3 1 170.73 273.89 26.79 o data_Il _database_code_depnum_ccdc_archive 'CCDC 872713' #TrackingRef '- naprf4_6.16 GPa.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Na1.5 Pr1.5' _chemical_formula_weight 359.8 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 5.969(4) _cell_length_b 5.969(4) _cell_length_c 3.686(6) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 113.7(2) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 1 1 1 0 0 0 1 0 0 0 1 2 0 -1 0 0 0 -1 0 0 0 1 _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.252 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 159 _exptl_absorpt_coefficient_mu 3.401 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type Cylindrical _exptl_absorpt_process_details 'Jana2006 (Petricek, Dusek & Palatinus, 2000)' _exptl_absorpt_correction_T_min 0.5823 _exptl_absorpt_correction_T_max 0.6719 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.4 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 2451 _diffrn_reflns_theta_min 2.22 _diffrn_reflns_theta_max 22.42 _diffrn_reflns_theta_full 18.91 _diffrn_measured_fraction_theta_max 0.8 _diffrn_measured_fraction_theta_full 0.81 _diffrn_reflns_av_R_equivalents 0.1008 _diffrn_reflns_av_sigmaI/netI 0.0228 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -5 _diffrn_reflns_limit_l_max 5 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 482 _reflns_number_gt 470 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0492 _refine_ls_wR_factor_gt 0.0531 _refine_ls_R_factor_all 0.0519 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 3.11 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 482 _refine_ls_number_parameters 15 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0295 _refine_ls_shift/su_mean 0.0085 _refine_diff_density_max 1.55 _refine_diff_density_min -1.41 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 1700(200) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0032 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0088 0.0074 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Pr -1.1316 1.0322 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pr1 Pr 0 0 0 Uani 0.0082(2) 1 1 d . . . Na1 Na 0.333333 0.666667 0.720(12) Uani 0.065(10) 2 0.5 d . . . Pr2 Pr 0.666667 0.333333 0.5 Uani 0.0132(6) 1 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.0132(6) 1 0.5 d . . . F1 F 0.6261(16) 0.0451(16) 0 Uiso 0.0198(16) 3 1 d . . . F2 F 0.7189(16) 0.7490(13) 0.5 Uiso 0.0197(15) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pr1 Pr 0.0093(2) 0.0093(2) 0.0059(5) 0.00464(12) 0 0 Na1 Na 0.021(3) 0.021(3) 0.15(3) 0.0103(15) 0 0 Pr2 Pr 0.0097(5) 0.0097(5) 0.0201(15) 0.0049(2) 0 0 Na2 Na 0.0097(5) 0.0097(5) 0.0201(15) 0.0049(2) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Pr1 F1 . 1_455 2.378(11) ? Pr1 F1 . 2_545 2.378(15) ? Pr1 F1 . 3_665 2.378(10) ? Pr1 F2 . 1_444 2.438(6) ? Pr1 F2 . 1_445 2.438(6) ? Pr1 F2 . 2_654 2.438(8) ? Pr1 F2 . 2_655 2.438(8) ? Pr1 F2 . 3_564 2.438(8) ? Pr1 F2 . 3_565 2.438(8) ? Na1 F1 . 1_565 3.36(4) ? Na1 F1 . 1_566 2.30(2) ? Na1 F1 . 2_555 3.36(4) ? Na1 F1 . 2_556 2.30(2) ? Na1 F1 . 3_665 3.36(4) ? Na1 F1 . 3_666 2.30(2) ? Na1 F2 . . 2.251(18) ? Na1 F2 . 2_665 2.25(2) ? Na1 F2 . 3_565 2.251(17) ? Pr2 F1 . . 2.449(8) ? Pr2 F1 . 1_556 2.449(8) ? Pr2 F1 . 2_655 2.449(7) ? Pr2 F1 . 2_656 2.449(7) ? Pr2 F1 . 3_665 2.449(11) ? Pr2 F1 . 3_666 2.449(11) ? Pr2 F2 . . 2.341(9) ? Pr2 F2 . 2_655 2.341(8) ? Pr2 F2 . 3_665 2.341(13) ? Na2 F1 . . 2.449(8) ? Na2 F1 . 1_556 2.449(8) ? Na2 F1 . 2_655 2.449(7) ? Na2 F1 . 2_656 2.449(7) ? Na2 F1 . 3_665 2.449(11) ? Na2 F1 . 3_666 2.449(11) ? Na2 F2 . . 2.341(9) ? Na2 F2 . 2_655 2.341(8) ? Na2 F2 . 3_665 2.341(13) ? F1 F1 . 2_655 2.794(14) ? F1 F1 . 3_665 2.794(18) ? F1 F2 . 1_544 2.794(12) ? F1 F2 . 1_545 2.794(12) ? F1 F2 . 2_654 2.758(11) ? F1 F2 . 2_655 2.758(11) ? F1 F2 . 3_664 2.793(11) ? F1 F2 . 3_665 2.793(11) ? F2 F2 . 2_765 2.764(12) ? F2 F2 . 3_675 2.764(11) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 -1 0 1599.06 1732.53 12.91 o 1 0 0 1595.83 1797.00 14.25 o 1 1 0 4596.25 4614.14 47.98 o 1 1 1 909.97 838.33 13.89 o 2 -3 0 1493.45 1465.61 14.20 o 2 -3 1 3608.38 3493.73 26.31 o 2 -3 2 1342.39 1226.05 16.67 o 2 -2 0 1281.15 1291.12 11.19 o 2 -2 1 5392.44 5632.01 48.02 o 2 -1 0 4595.42 4554.07 54.67 o 2 -1 1 954.56 868.96 7.66 o 2 0 0 1283.74 1302.08 11.22 o 2 0 1 5384.22 5768.21 40.09 o 2 0 2 1241.15 1471.93 36.56 o 2 1 0 247.54 222.24 6.52 o 2 1 1 2885.96 2739.26 22.56 o 2 1 2 359.44 373.96 9.90 o 2 1 3 1324.53 1610.78 42.52 o 2 2 0 3154.42 2970.08 29.25 o 2 2 1 243.28 220.54 4.03 o 2 2 2 1664.46 1559.28 16.95 o 2 2 3 207.82 252.11 10.32 o 3 -5 0 352.06 415.93 6.96 o 3 -5 1 1532.99 1534.53 12.18 o 3 -5 2 439.30 427.06 8.43 o 3 -5 3 840.90 780.67 10.28 o 3 -5 4 230.81 285.57 10.64 o 3 -4 0 1078.23 1104.48 12.03 o 3 -4 1 1046.25 1117.53 9.98 o 3 -4 2 1015.20 951.89 11.06 o 3 -4 3 661.81 677.22 10.89 o 3 -3 0 6299.37 6342.63 50.16 o 3 -3 1 221.78 207.21 4.60 o 3 -3 2 3036.02 2833.90 30.37 o 3 -2 0 209.21 209.09 5.72 o 3 -2 1 2881.04 2759.05 22.90 o 3 -2 2 344.93 407.80 16.16 o 3 -1 0 1473.90 1425.79 17.24 o 3 -1 1 3618.30 3368.53 21.62 o 3 -1 2 1319.20 1340.98 20.29 o 3 0 0 6298.30 6861.54 71.69 o 3 0 1 215.56 195.63 3.15 o 3 0 2 3035.05 3093.56 34.00 o 3 0 3 203.77 318.57 32.95 o 3 1 0 401.11 412.97 7.50 o 3 1 1 1849.51 1855.59 15.75 o 3 1 2 527.50 566.32 11.17 o 3 1 3 971.98 1056.95 20.88 o 3 2 0 871.17 851.48 11.85 o 3 2 1 2704.15 2467.56 18.84 o 3 2 2 825.73 735.56 11.81 o 3 2 3 1315.69 1235.20 15.47 o 3 2 4 347.76 438.02 15.33 o 3 3 0 1669.92 1579.45 18.06 o 3 3 1 114.43 97.34 4.14 o 3 3 2 1023.53 1091.33 14.89 o 3 3 3 117.48 143.80 7.46 o 3 3 5 88.11 46.98 8.49 o 4 -7 0 381.81 354.17 7.58 o 4 -7 1 908.01 853.82 8.04 o 4 -7 2 380.73 371.20 12.34 o 4 -7 3 539.69 561.97 12.48 o 4 -7 4 197.56 211.17 7.37 o 4 -7 5 236.78 262.19 12.90 o 4 -6 0 149.69 140.96 5.05 o 4 -6 1 1102.98 1073.64 9.14 o 4 -6 2 201.53 200.08 9.86 o 4 -6 3 640.60 576.36 9.41 o 4 -6 4 135.53 128.83 6.02 o 4 -6 5 273.03 292.96 11.57 o 4 -5 0 2866.93 2674.28 27.26 o 4 -5 1 140.90 200.10 5.51 o 4 -5 2 1659.48 1752.28 22.02 o 4 -5 3 141.27 100.63 6.70 o 4 -5 4 755.72 708.50 11.03 o 4 -4 0 933.66 883.23 10.48 o 4 -4 1 975.90 983.46 8.43 o 4 -4 2 898.78 925.96 13.30 o 4 -4 3 614.54 578.19 9.44 o 4 -3 0 412.34 440.17 7.47 o 4 -3 1 1857.31 1718.85 14.02 o 4 -3 2 527.62 416.27 11.19 o 4 -3 3 978.29 1004.27 20.14 o 4 -2 0 3153.98 2947.96 37.29 o 4 -2 1 233.85 205.45 4.44 o 4 -2 2 1664.15 1635.71 17.58 o 4 -1 0 1094.72 1139.03 15.42 o 4 -1 1 1054.96 1089.05 8.49 o 4 -1 2 1034.48 983.13 10.58 o 4 -1 3 664.41 813.51 22.58 o 4 0 0 924.91 971.98 14.79 o 4 0 1 972.13 911.12 8.37 o 4 0 2 885.55 809.24 10.92 o 4 0 3 614.03 634.20 12.34 o 4 1 0 2043.91 2011.91 21.74 o 4 1 1 128.87 179.30 6.31 o 4 1 2 1198.66 1292.04 15.80 o 4 1 3 134.70 128.19 9.43 o 4 1 4 595.32 670.36 14.54 o 4 2 0 293.81 253.29 7.64 o 4 2 1 1024.56 968.09 11.21 o 4 2 2 340.76 367.29 6.92 o 4 2 3 602.27 636.07 13.07 o 4 2 4 184.64 157.90 8.97 o 4 3 0 395.15 368.52 9.51 o 4 3 1 518.65 495.10 6.31 o 4 3 2 388.49 414.63 8.71 o 4 3 3 338.14 322.89 13.54 o 4 3 4 198.36 247.33 12.43 o 4 3 5 166.11 171.24 11.78 o 4 4 0 999.69 983.65 14.56 o 4 4 1 53.75 58.24 4.16 o 4 4 2 679.60 689.48 14.40 o 4 4 3 59.28 121.46 23.56 o 5 -9 0 84.48 67.83 7.35 o 5 -9 1 394.01 405.06 5.73 o 5 -9 2 95.18 41.40 6.55 o 5 -9 3 257.62 223.72 15.76 o 5 -8 0 229.61 238.98 7.10 o 5 -8 1 693.41 699.13 7.61 o 5 -8 2 230.77 250.07 9.38 o 5 -8 3 428.27 435.54 19.60 o 5 -8 4 131.45 143.72 9.92 o 5 -7 0 993.57 1029.75 11.48 o 5 -7 1 104.32 116.13 5.15 o 5 -7 2 651.01 705.03 12.01 o 5 -7 3 95.48 70.72 8.09 o 5 -7 4 351.63 370.80 8.70 o 5 -7 5 70.09 109.02 12.53 o 5 -6 0 355.97 349.36 6.74 o 5 -6 1 1252.09 1227.47 10.60 o 5 -6 2 379.58 401.62 10.03 o 5 -6 3 707.97 727.18 16.39 o 5 -6 4 196.74 222.70 8.20 o 5 -6 5 292.92 267.33 8.24 o 5 -5 0 593.49 778.29 11.70 o 5 -5 1 1534.37 1495.60 11.41 o 5 -5 2 587.00 663.30 11.64 o 5 -5 3 840.29 822.32 24.96 o 5 -5 4 274.79 268.28 8.88 o 5 -4 0 2040.48 2123.17 19.49 o 5 -4 1 125.41 233.00 5.69 o 5 -4 2 1196.16 1233.93 15.30 o 5 -4 3 132.55 125.21 11.76 o 5 -4 4 594.23 708.09 14.56 o 5 -3 0 883.72 838.62 13.07 o 5 -3 1 2691.15 2492.37 21.75 o 5 -3 2 841.02 861.94 11.88 o 5 -3 3 1305.46 1144.16 28.73 o 5 -3 4 354.45 351.36 17.50 o 5 -2 0 357.58 413.89 9.98 o 5 -2 1 1530.94 1512.73 13.47 o 5 -2 2 437.57 428.65 6.29 o 5 -2 3 841.75 790.24 11.13 o 5 -2 4 231.48 251.40 12.42 o 5 -1 0 2865.65 3033.20 35.21 o 5 -1 1 145.04 183.57 5.40 o 5 -1 2 1658.52 1530.26 14.00 o 5 -1 3 143.84 116.60 6.25 o 5 -1 4 755.29 681.06 19.13 o 5 0 0 598.30 553.68 12.97 o 5 0 1 1529.35 1494.23 13.26 o 5 0 2 595.43 602.73 8.23 o 5 0 3 835.57 788.56 11.62 o 5 0 4 278.45 352.59 11.59 o 5 1 0 149.20 144.39 7.56 o 5 1 1 988.45 1011.58 9.45 o 5 1 2 193.26 208.36 6.56 o 5 1 3 584.03 633.17 13.87 o 5 1 4 128.60 107.89 8.08 o 5 1 5 254.20 245.71 8.38 o 5 2 0 1408.15 1366.68 21.41 o 5 2 1 97.12 91.19 5.63 o 5 2 2 921.34 940.98 10.74 o 5 2 3 95.02 81.50 7.96 o 5 2 5 71.63 47.06 10.63 o 5 3 0 263.51 231.35 8.17 o 5 3 1 413.18 423.41 5.73 o 5 3 2 260.78 294.07 7.43 o 5 3 3 271.62 178.08 7.55 o 5 3 4 144.33 195.62 11.51 o 5 4 0 119.79 122.86 8.13 o 5 4 1 389.34 367.37 5.43 o 5 4 2 125.36 105.67 6.33 o 5 4 3 255.85 268.88 17.75 o 5 4 4 81.69 32.91 11.04 < 5 5 0 382.71 475.17 20.16 o 5 5 1 36.50 25.91 3.83 o 5 5 2 280.74 216.31 7.82 o 5 5 3 38.01 31.07 14.56 < 6 -11 0 89.56 76.51 10.47 o 6 -11 1 143.20 116.53 7.77 o 6 -10 0 119.51 112.38 6.45 o 6 -10 1 279.69 278.09 6.65 o 6 -10 2 117.06 117.00 8.28 o 6 -10 3 189.09 192.56 20.16 o 6 -9 0 475.66 482.76 7.39 o 6 -9 1 54.93 47.82 4.22 o 6 -9 2 338.49 314.18 8.98 o 6 -9 3 53.43 23.95 13.03 < 6 -9 4 196.94 143.59 22.77 o 6 -8 0 183.76 200.74 6.56 o 6 -8 1 439.58 452.82 6.75 o 6 -8 2 190.17 220.36 9.08 o 6 -8 3 285.97 333.33 18.10 o 6 -8 4 111.79 107.22 9.30 o 6 -7 0 258.99 229.70 7.32 o 6 -7 1 554.71 544.24 7.17 o 6 -7 2 264.77 238.14 9.10 o 6 -7 3 353.35 325.38 11.69 o 6 -7 4 147.36 136.28 11.28 o 6 -6 0 1095.22 1094.46 13.31 o 6 -6 1 115.63 103.93 4.36 o 6 -6 2 707.83 612.15 10.99 o 6 -6 3 103.85 73.96 8.46 o 6 -6 4 378.69 427.54 18.54 o 6 -6 5 75.28 97.59 11.08 o 6 -5 0 139.15 120.04 6.19 o 6 -5 1 988.52 1015.35 8.43 o 6 -5 2 188.65 172.24 7.67 o 6 -5 3 582.87 400.38 16.22 o 6 -5 4 124.66 100.63 12.51 o 6 -5 5 253.96 228.70 7.35 o 6 -4 0 294.02 268.44 6.95 o 6 -4 1 1026.29 1065.05 10.62 o 6 -4 2 337.07 330.65 7.34 o 6 -4 3 604.51 529.03 16.98 o 6 -3 0 1674.71 1536.88 22.61 o 6 -3 1 111.89 95.65 4.23 o 6 -3 2 1027.10 1006.24 12.00 o 6 -3 3 115.81 146.79 9.97 o 6 -2 0 137.77 145.13 8.39 o 6 -2 1 1098.38 1092.29 10.67 o 6 -2 2 196.01 198.70 4.57 o 6 -2 3 636.62 678.91 10.09 o 6 -2 4 131.02 113.97 5.87 o 6 -2 5 271.66 267.07 12.36 o 6 -1 0 352.42 343.09 11.11 o 6 -1 1 1261.07 1246.94 10.78 o 6 -1 2 373.28 355.93 5.40 o 6 -1 3 714.80 718.35 9.45 o 6 -1 4 194.27 214.22 9.86 o 6 -1 5 295.82 243.94 10.54 o 6 0 0 1093.40 990.49 27.28 o 6 0 1 107.42 98.49 4.21 o 6 0 2 706.44 700.95 9.08 o 6 0 3 98.06 126.77 7.35 o 6 0 4 378.02 374.54 12.16 o 6 0 5 72.12 80.02 8.91 o 6 1 0 231.59 215.96 8.73 o 6 1 1 787.88 799.97 10.45 o 6 1 2 244.18 236.82 6.48 o 6 1 4 138.37 191.76 15.53 o 6 1 5 213.26 212.14 16.43 o 6 2 0 229.05 273.26 9.54 o 6 2 1 596.65 619.86 9.58 o 6 2 2 226.43 240.65 6.42 o 6 2 3 374.80 446.37 16.45 o 6 2 4 127.44 109.63 10.65 o 6 3 0 495.94 431.68 11.31 o 6 3 1 43.02 31.38 4.71 o 6 3 2 352.98 330.38 9.74 o 6 3 3 45.72 8.83 4.76 < 6 3 4 203.97 127.48 15.83 o 6 4 0 133.93 149.96 8.89 o 6 4 1 356.93 329.14 8.37 o 6 4 2 130.09 125.55 6.97 o 6 5 0 65.39 22.33 12.84 < 6 5 1 184.45 148.73 6.54 o 7 -11 0 291.99 232.52 14.07 o 7 -11 1 18.49 6.08 6.43 < 7 -10 0 108.35 120.39 5.69 o 7 -10 1 294.96 306.70 7.18 o 7 -10 2 107.22 65.65 6.85 o 7 -10 3 198.04 184.49 16.98 o 7 -9 0 119.69 134.76 7.34 o 7 -9 1 305.86 301.31 5.42 o 7 -9 2 121.65 119.91 7.58 o 7 -9 3 205.64 194.62 14.81 o 7 -8 0 924.18 962.70 16.52 o 7 -8 1 49.51 34.87 4.78 o 7 -8 2 648.38 712.29 16.33 o 7 -8 3 52.69 32.95 7.84 o 7 -7 0 235.99 244.27 8.64 o 7 -7 1 480.05 524.70 6.91 o 7 -7 2 237.95 303.10 9.81 o 7 -7 3 309.03 319.06 12.92 o 7 -7 4 135.58 71.55 9.42 o 7 -6 0 230.03 221.64 8.91 o 7 -6 1 792.97 824.22 7.46 o 7 -6 2 240.68 256.82 9.06 o 7 -6 4 137.03 122.79 12.28 o 7 -5 0 1406.60 1415.55 27.64 o 7 -5 1 98.57 129.53 5.77 o 7 -5 2 920.13 1040.94 12.77 o 7 -5 3 96.06 51.59 9.03 o 7 -5 4 465.67 488.48 17.34 o 7 -5 5 72.21 36.27 10.95 o 7 -4 0 400.48 350.33 10.17 o 7 -4 1 520.26 558.64 8.10 o 7 -4 2 395.73 433.11 7.72 o 7 -4 3 338.64 356.70 13.67 o 7 -4 4 201.91 218.42 11.73 o 7 -4 5 166.91 151.66 11.52 o 7 -3 0 379.32 418.80 9.85 o 7 -3 1 911.82 912.81 9.36 o 7 -3 2 375.73 382.63 7.72 o 7 -3 3 543.13 555.68 12.20 o 7 -3 4 195.23 161.23 9.79 o 7 -3 5 238.19 196.17 11.49 o 7 -2 0 992.49 1141.79 17.51 o 7 -2 1 111.32 118.27 5.19 o 7 -2 2 650.17 670.24 9.34 o 7 -2 3 100.51 108.02 6.88 o 7 -2 4 351.20 341.80 6.71 o 7 -2 5 72.87 57.27 11.03 o 7 -1 0 261.11 238.43 13.43 o 7 -1 1 556.78 522.22 8.12 o 7 -1 2 268.80 246.96 5.97 o 7 -1 4 149.09 112.89 5.67 o 7 0 0 235.48 321.53 12.42 o 7 0 1 480.58 561.04 7.57 o 7 0 2 235.58 244.84 5.70 o 7 0 3 309.87 300.16 7.87 o 7 0 4 134.57 193.21 13.44 o 7 1 0 564.10 742.94 27.03 o 7 1 1 59.45 60.63 5.71 o 7 1 2 394.72 454.85 9.52 o 7 1 3 57.61 57.80 5.83 o 7 1 4 225.98 143.31 16.51 o 7 2 0 79.77 75.22 8.69 o 7 2 1 337.89 331.24 8.23 o 7 2 2 87.47 87.88 6.37 o 7 2 3 224.77 259.59 9.21 o 7 3 0 84.21 96.42 9.10 o 7 3 1 231.59 246.55 8.74 o 7 3 2 85.67 71.76 7.29 o 7 4 0 243.09 199.04 18.52 o 7 4 1 19.57 10.64 6.47 < 8 -11 0 46.59 63.35 7.16 o 8 -10 0 276.16 271.64 7.11 o 8 -10 1 29.79 17.37 3.90 o 8 -10 2 206.30 181.38 16.02 o 8 -9 0 108.95 114.53 6.41 o 8 -9 1 265.87 274.36 7.75 o 8 -9 2 110.27 93.69 11.10 o 8 -9 3 180.29 158.03 15.21 o 8 -8 0 149.93 174.55 8.86 o 8 -8 1 332.11 369.77 6.06 o 8 -8 2 149.35 190.36 10.09 o 8 -8 3 221.41 211.27 14.39 o 8 -8 4 91.82 80.10 15.34 o 8 -7 0 562.66 619.64 10.52 o 8 -7 1 54.80 36.97 4.14 o 8 -7 2 393.58 435.11 10.73 o 8 -7 3 54.04 53.13 7.88 o 8 -7 4 225.37 249.83 15.36 o 8 -6 0 233.01 204.22 8.76 o 8 -6 1 593.71 662.35 8.12 o 8 -6 2 231.43 242.54 7.01 o 8 -6 3 372.15 375.36 11.21 o 8 -6 4 130.03 130.83 17.31 o 8 -5 0 260.27 246.70 8.20 o 8 -5 1 411.83 418.46 7.03 o 8 -5 2 256.15 291.45 7.16 o 8 -5 3 271.14 370.61 15.03 o 8 -5 4 141.96 162.04 11.94 o 8 -4 0 998.19 1123.31 16.71 o 8 -4 1 52.13 44.53 5.02 o 8 -4 2 678.42 752.53 14.24 o 8 -4 3 58.07 34.75 8.77 o 8 -4 4 359.15 427.79 16.03 o 8 -4 5 50.21 55.72 16.86 o 8 -3 0 231.36 297.65 9.14 o 8 -3 1 689.90 706.62 10.15 o 8 -3 2 234.12 256.68 7.14 o 8 -3 3 425.15 467.00 15.47 o 8 -3 4 132.98 150.07 11.86 o 8 -2 0 181.69 168.07 10.89 o 8 -2 1 438.02 495.64 8.66 o 8 -2 2 186.82 219.06 7.33 o 8 -2 3 285.43 359.15 9.89 o 8 -2 4 110.34 103.40 6.48 o 8 -1 1 49.50 52.42 5.21 o 8 -1 2 648.36 650.40 10.86 o 8 -1 3 52.69 38.48 6.19 o 8 -1 4 344.36 247.43 11.41 o 8 0 0 150.12 195.03 12.62 o 8 0 1 330.14 316.35 8.84 o 8 0 2 150.70 205.54 7.27 o 8 0 3 219.78 243.87 11.23 o 8 0 4 92.38 108.03 15.61 o 8 1 0 109.06 119.68 9.61 o 8 1 1 327.99 270.70 9.29 o 8 1 2 109.50 129.04 9.30 o 8 1 3 218.81 211.03 8.84 o 8 2 0 373.65 314.40 16.45 o 8 2 1 29.87 29.02 6.91 o 8 2 2 279.12 283.42 21.87 o 8 3 0 78.52 105.13 16.00 o 9 -10 0 77.40 57.66 6.73 o 9 -10 1 214.46 217.87 9.81 o 9 -9 0 296.74 288.81 11.56 o 9 -9 1 33.37 22.91 4.04 o 9 -9 2 220.35 127.04 10.34 o 9 -8 0 109.58 81.02 6.33 o 9 -8 1 327.17 241.74 7.48 o 9 -8 2 110.81 135.19 8.39 o 9 -8 3 217.84 200.65 10.57 o 9 -7 0 82.36 37.31 6.98 o 9 -7 1 337.61 329.92 7.44 o 9 -7 2 88.74 70.29 6.70 o 9 -7 3 224.97 248.06 9.82 o 9 -6 0 498.46 544.38 15.51 o 9 -6 1 44.39 25.56 5.15 o 9 -6 2 355.01 353.04 8.65 o 9 -6 3 46.78 28.16 7.01 o 9 -6 4 205.06 197.92 19.94 o 9 -5 0 117.86 140.27 9.63 o 9 -5 1 388.65 400.43 7.70 o 9 -5 2 124.93 97.74 6.23 o 9 -5 3 254.96 292.73 19.75 o 9 -5 4 80.98 83.27 13.93 o 9 -4 0 87.64 37.05 6.58 o 9 -4 1 396.71 342.33 34.07 o 9 -4 2 96.75 74.93 5.40 o 9 -4 3 259.83 318.68 18.89 o 9 -3 0 477.40 447.22 12.94 o 9 -3 1 51.41 49.62 4.68 o 9 -3 2 339.88 357.94 7.81 o 9 -3 3 50.69 68.98 13.04 o 9 -3 4 197.70 171.74 17.96 o 9 -2 0 120.76 121.33 9.73 o 9 -2 1 305.05 308.64 6.59 o 9 -2 2 123.57 143.79 6.30 o 9 -2 3 204.79 234.12 11.74 o 9 -1 0 108.41 116.55 9.73 o 9 -1 1 267.86 210.34 10.23 o 9 -1 2 108.95 103.83 7.76 o 9 -1 3 181.89 165.83 8.15 o 9 0 0 296.56 246.11 13.54 o 9 0 1 30.83 21.46 5.49 o 9 0 2 220.21 235.12 8.68 o 9 1 0 83.84 32.27 10.03 o 9 1 1 202.20 175.84 13.20 o 10 -9 0 81.76 52.19 7.25 o 10 -9 1 203.35 216.44 8.32 o 10 -8 0 373.72 409.64 13.45 o 10 -8 1 29.62 31.62 7.54 o 10 -8 2 279.18 281.88 12.03 o 10 -7 0 84.07 65.88 10.23 o 10 -7 1 229.88 243.30 8.74 o 10 -7 2 86.25 75.94 8.16 o 10 -6 0 131.66 143.08 8.53 o 10 -6 1 359.46 392.39 15.08 o 10 -6 2 127.29 120.93 6.94 o 10 -6 3 237.58 250.33 12.20 o 10 -5 1 37.47 50.20 5.82 o 10 -5 2 279.49 292.51 8.78 o 10 -5 3 38.78 28.81 10.01 < 10 -4 0 121.22 87.20 8.99 o 10 -4 1 278.23 277.39 7.55 o 10 -4 2 119.34 115.79 7.25 o 10 -4 3 187.78 224.76 13.64 o 10 -3 0 107.94 53.45 9.03 o 10 -3 1 295.70 357.18 12.78 o 10 -3 2 106.09 87.15 6.26 o 10 -3 3 198.93 250.33 14.13 o 10 -2 0 275.40 267.73 22.11 o 10 -2 1 32.03 12.58 4.94 < 10 -2 2 205.68 192.46 7.94 o 10 -1 0 77.66 26.81 9.78 < 10 -1 1 214.26 199.94 13.09 o 11 -8 0 77.69 83.21 11.45 o 11 -7 0 242.62 174.03 11.70 o 11 -7 1 19.64 19.66 9.15 < 11 -6 0 65.90 65.96 9.32 o 11 -6 1 184.69 148.57 12.56 o 11 -5 0 87.73 27.79 16.26 < 11 -5 1 142.75 112.66 8.06 o 11 -4 0 292.43 170.52 20.57 o 11 -4 1 18.84 25.64 7.90 o data_Im _database_code_depnum_ccdc_archive 'CCDC 872714' #TrackingRef '- naprf4_average_ambient_pressure.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Na1.5 Pr1.5' _chemical_formula_weight 359.8 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 6.1298(10) _cell_length_b 6.1299(10) _cell_length_c 3.7495(5) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120.0005 _cell_volume 122.01(3) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 1 1 1 0 0 0 1 0 0 0 1 2 0 0 1 0 -1 1 0 0 0 1 3 0 -1 0 0 0 -1 0 0 0 1 _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 4.8956 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 159 _exptl_absorpt_coefficient_mu 3.124 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type Cylindrical _exptl_absorpt_process_details 'Jana2006 (Petricek, Dusek & Palatinus, 2000)' _exptl_absorpt_correction_T_min 0.9512 _exptl_absorpt_correction_T_max 0.9799 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.3978 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 2647 _diffrn_reflns_theta_min 2.15 _diffrn_reflns_theta_max 25.82 _diffrn_reflns_theta_full 25.82 _diffrn_measured_fraction_theta_max 0.99 _diffrn_measured_fraction_theta_full 0.99 _diffrn_reflns_av_R_equivalents 0.0675 _diffrn_reflns_av_sigmaI/netI 0.0455 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 5 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 980 _reflns_number_gt 978 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0297 _refine_ls_wR_factor_gt 0.0383 _refine_ls_R_factor_all 0.0297 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 1.54 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 980 _refine_ls_number_parameters 21 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0069 _refine_ls_shift/su_mean 0.0021 _refine_diff_density_max 0.52 _refine_diff_density_min -0.77 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 3100(400) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0031 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0087 0.0073 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Pr -1.1453 1.0220 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pr1 Pr -2.000003 -1.999994 0 Uani 0.00787(5) 1 1 d . . . Na1 Na -1.66667 -1.333328 0.670(3) Uani 0.032(2) 2 0.5 d . . . Np1 Pr -1.333336 -1.666662 0.5 Uani 0.01060(11) 1 0.5 d . . . Np2 Na -1.333336 -1.666662 0.5 Uani 0.01060(11) 1 0.5 d . . . F1 F -1.3666(6) -1.9591(7) 0 Uani 0.0246(11) 3 1 d . . . F2 F -1.2673(5) -1.2448(4) 0.5 Uani 0.0138(6) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pr1 Pr 0.00871(7) 0.00871(7) 0.00621(9) 0.00435(3) 0 0 Na1 Na 0.0216(14) 0.0216(14) 0.052(6) 0.0108(7) 0 0 Np1 Pr 0.00876(11) 0.00876(11) 0.0143(2) 0.00438(6) 0 0 Np2 Na 0.00876(11) 0.00876(11) 0.0143(2) 0.00438(6) 0 0 F1 F 0.0150(9) 0.0175(10) 0.042(3) 0.0088(8) 0 0 F2 F 0.0150(7) 0.0113(6) 0.0128(9) 0.0048(6) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Pr1 F1 . 1_455 2.383(5) ? Pr1 F1 . 2_125 2.383(6) ? Pr1 F1 . 3_425 2.383(4) ? Pr1 F2 . 1_444 2.4479(15) ? Pr1 F2 . 1_445 2.4479(15) ? Pr1 F2 . 2_234 2.448(2) ? Pr1 F2 . 2_235 2.448(2) ? Pr1 F2 . 3_324 2.448(2) ? Pr1 F2 . 3_325 2.448(2) ? Na1 F1 . 1_566 2.441(7) ? Na1 F1 . 2_136 2.441(7) ? Na1 F1 . 3_426 2.441(8) ? Na1 F2 . . 2.317(4) ? Na1 F2 . 2_245 2.317(5) ? Na1 F2 . 3_325 2.317(4) ? Np1 F1 . . 2.531(3) ? Np1 F1 . 1_556 2.531(3) ? Np1 F1 . 2_235 2.531(2) ? Np1 F1 . 2_236 2.531(2) ? Np1 F1 . 3_425 2.531(4) ? Np1 F1 . 3_426 2.531(4) ? Np1 F2 . . 2.409(3) ? Np1 F2 . 2_235 2.409(3) ? Np1 F2 . 3_425 2.409(4) ? Np2 F1 . . 2.531(3) ? Np2 F1 . 1_556 2.531(3) ? Np2 F1 . 2_235 2.531(2) ? Np2 F1 . 2_236 2.531(2) ? Np2 F1 . 3_425 2.531(4) ? Np2 F1 . 3_426 2.531(4) ? Np2 F2 . . 2.409(3) ? Np2 F2 . 2_235 2.409(3) ? Np2 F2 . 3_425 2.409(4) ? F1 F1 . 2_235 2.944(6) ? F1 F1 . 3_425 2.944(8) ? F1 F2 . 1_544 2.832(4) ? F1 F2 . 1_545 2.832(4) ? F1 F2 . 2_234 2.901(4) ? F1 F2 . 2_235 2.901(4) ? F1 F2 . 3_424 2.796(4) ? F1 F2 . 3_425 2.796(4) ? F2 F2 . 2_345 2.726(4) ? F2 F2 . 3_435 2.726(4) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 0 6 637.50 610.98 41.03 o 0 0 7 46.66 44.46 3.86 o 0 0 8 192.41 167.36 8.37 o 1 -1 0 1731.27 1894.14 88.86 o 1 -1 1 3206.75 3409.88 226.19 o 1 -1 2 1553.00 1521.00 101.11 o 1 -1 3 1417.76 1318.61 87.67 o 1 -1 4 552.73 559.59 37.37 o 1 -1 5 567.56 523.62 24.84 o 1 -1 6 203.90 207.63 10.12 o 1 -1 7 197.10 224.89 7.70 o 1 -1 8 82.81 70.90 2.57 o 1 0 0 1729.68 1841.60 86.44 o 1 0 1 3201.46 3509.18 232.87 o 1 0 2 1539.03 1756.04 82.83 o 1 0 3 1435.44 1378.05 91.68 o 1 0 4 548.94 542.79 36.37 o 1 0 5 568.84 554.06 37.15 o 1 0 6 203.53 212.36 8.41 o 1 0 7 197.82 202.73 7.03 o 1 0 8 82.65 68.31 2.90 o 1 1 0 4669.81 3958.96 262.78 o 1 1 1 840.47 897.90 29.88 o 1 1 2 2145.48 2310.40 108.47 o 1 1 3 404.70 452.74 21.37 o 1 1 4 1054.45 1142.88 53.85 o 1 1 5 147.71 165.33 7.99 o 1 1 6 402.29 447.11 21.23 o 1 1 7 78.43 76.50 3.34 o 1 1 8 135.76 112.99 4.96 o 2 -3 0 1557.83 1650.02 77.84 o 2 -3 1 4031.50 4007.40 153.60 o 2 -3 2 1389.71 1334.44 44.63 o 2 -3 3 1706.19 1705.77 80.18 o 2 -3 4 487.22 466.79 22.10 o 2 -3 5 614.72 593.40 28.07 o 2 -3 6 172.47 173.21 8.58 o 2 -3 7 207.47 218.87 10.76 o 2 -2 0 1170.75 1180.77 55.56 o 2 -2 1 5438.98 5957.49 197.98 o 2 -2 2 1159.69 1216.39 40.68 o 2 -2 3 2034.00 2096.79 98.92 o 2 -2 4 433.37 470.89 22.51 o 2 -2 5 688.23 698.64 33.17 o 2 -2 6 160.10 176.33 8.76 o 2 -2 7 226.66 236.46 11.62 o 2 -2 8 66.17 67.24 6.44 o 2 -1 0 4673.35 5809.48 273.06 o 2 -1 1 887.10 919.18 35.42 o 2 -1 2 2141.85 2119.46 99.68 o 2 -1 3 424.27 414.30 27.92 o 2 -1 4 1046.82 1052.11 40.50 o 2 -1 5 154.41 149.64 5.91 o 2 -1 6 397.30 427.20 28.92 o 2 -1 7 81.00 86.31 6.81 o 2 -1 8 133.51 116.50 6.36 o 2 0 0 1172.41 1183.05 55.65 o 2 0 1 5437.64 5358.18 251.83 o 2 0 2 1174.86 1258.83 59.24 o 2 0 3 2015.46 1969.63 92.67 o 2 0 4 440.33 422.19 20.02 o 2 0 5 685.64 713.72 33.72 o 2 0 6 162.57 163.07 8.05 o 2 0 7 225.38 222.01 8.77 o 2 0 8 67.23 60.49 4.27 o 2 1 0 263.19 274.40 13.11 o 2 1 1 3065.90 3171.81 121.94 o 2 1 2 374.20 333.89 15.82 o 2 1 3 1432.53 1224.31 57.60 o 2 1 4 252.55 219.37 10.48 o 2 1 5 567.21 571.13 27.06 o 2 1 6 123.13 103.28 5.12 o 2 1 7 200.93 183.68 8.87 o 2 2 0 3147.05 3207.64 213.04 o 2 2 1 187.70 195.53 7.75 o 2 2 2 1718.43 1611.00 53.73 o 2 2 3 230.85 218.23 10.43 o 2 2 4 858.35 809.21 38.12 o 2 2 5 109.40 101.72 4.99 o 2 2 6 335.55 322.29 15.36 o 2 2 7 63.12 57.18 3.43 o 3 -5 0 339.48 331.95 22.60 o 3 -5 1 1701.22 1683.53 64.94 o 3 -5 2 432.60 389.87 15.23 o 3 -5 3 933.90 824.17 31.79 o 3 -5 4 237.29 231.10 11.07 o 3 -5 5 406.54 382.33 25.79 o 3 -5 6 109.46 100.32 5.30 o 3 -5 7 153.77 147.30 7.56 o 3 -4 0 1092.43 1115.16 52.94 o 3 -4 1 1196.86 1168.86 38.97 o 3 -4 2 1052.79 1053.35 40.59 o 3 -4 3 769.82 743.08 28.70 o 3 -4 4 437.71 431.21 20.60 o 3 -4 5 366.29 377.12 18.09 o 3 -4 6 173.62 175.69 8.82 o 3 -4 7 142.34 145.42 7.53 o 3 -3 0 6668.54 6272.14 294.92 o 3 -3 1 238.75 245.35 8.34 o 3 -3 2 3222.68 3117.56 103.73 o 3 -3 3 236.56 248.26 8.51 o 3 -3 4 1261.59 1273.53 60.17 o 3 -3 5 93.68 93.69 4.86 o 3 -3 6 436.33 450.36 21.56 o 3 -3 7 52.94 49.06 3.04 o 3 -2 0 222.82 277.27 13.24 o 3 -2 1 3077.72 2929.58 113.00 o 3 -2 2 360.50 389.04 15.09 o 3 -2 3 1429.11 1313.39 62.05 o 3 -2 4 246.90 230.86 15.94 o 3 -2 5 573.04 558.43 37.63 o 3 -2 6 120.27 142.34 7.20 o 3 -2 7 203.77 218.67 10.85 o 3 -1 0 1530.53 1333.91 88.69 o 3 -1 1 4038.09 4373.52 167.54 o 3 -1 2 1360.23 1528.81 58.79 o 3 -1 3 1728.08 1619.39 76.47 o 3 -1 4 474.96 498.71 33.58 o 3 -1 5 620.58 646.86 43.44 o 3 -1 6 168.01 183.08 12.94 o 3 -1 7 210.39 250.40 17.39 o 3 0 0 6669.29 6506.86 305.84 o 3 0 1 233.81 231.23 9.08 o 3 0 2 3224.04 2950.08 113.54 o 3 0 3 234.26 232.32 11.14 o 3 0 4 1262.89 1330.24 62.65 o 3 0 5 92.78 99.69 4.99 o 3 0 6 437.10 499.62 33.68 o 3 0 7 52.58 57.81 4.78 o 3 1 0 457.70 511.85 24.29 o 3 1 1 1869.86 1820.60 69.92 o 3 1 2 607.13 608.14 28.79 o 3 1 3 1024.97 1001.16 47.32 o 3 1 4 314.86 267.47 12.78 o 3 1 5 440.21 381.23 18.10 o 3 1 6 138.40 145.41 7.16 o 3 1 7 163.69 174.74 8.52 o 3 2 0 951.91 992.45 66.30 o 3 2 1 2941.42 3033.92 117.04 o 3 2 2 872.60 843.25 28.24 o 3 2 3 1418.35 1508.82 70.97 o 3 2 4 348.12 308.21 14.75 o 3 2 5 528.03 478.43 22.86 o 3 2 6 128.01 114.26 5.67 o 3 2 7 183.64 178.72 8.79 o 3 3 0 1793.43 1803.36 120.18 o 3 3 1 151.74 137.90 5.72 o 3 3 2 1122.92 1131.06 37.90 o 3 3 3 161.79 159.79 5.58 o 3 3 4 588.28 574.47 27.49 o 3 3 5 83.30 76.94 3.99 o 3 3 6 244.54 200.22 13.88 o 3 3 7 49.13 43.41 3.28 o 4 -7 0 397.48 376.91 18.28 o 4 -7 1 943.48 902.46 34.97 o 4 -7 2 399.94 379.14 14.99 o 4 -7 3 574.27 580.54 22.60 o 4 -7 4 208.11 179.52 9.02 o 4 -7 5 268.71 258.24 12.80 o 4 -7 6 94.20 93.09 5.13 o 4 -6 0 152.80 138.16 7.02 o 4 -6 1 1243.27 1218.79 40.83 o 4 -6 2 218.97 200.48 7.03 o 4 -6 3 743.69 646.26 25.03 o 4 -6 4 150.58 140.22 5.81 o 4 -6 5 339.46 332.30 16.10 o 4 -6 6 81.21 81.25 4.58 o 4 -6 7 134.73 127.69 6.91 o 4 -5 0 3069.61 3123.99 147.41 o 4 -5 1 75.61 73.85 2.82 o 4 -5 2 1813.04 1776.97 59.19 o 4 -5 3 114.47 109.43 3.94 o 4 -5 4 860.76 831.55 32.24 o 4 -5 5 60.23 66.77 3.79 o 4 -5 6 334.03 356.03 17.20 o 4 -5 7 39.29 38.35 2.78 o 4 -4 0 1047.05 973.53 46.00 o 4 -4 1 931.08 943.52 31.54 o 4 -4 2 1009.16 981.48 32.89 o 4 -4 3 626.29 611.41 20.51 o 4 -4 4 438.82 420.82 16.49 o 4 -4 5 310.79 318.18 15.38 o 4 -4 6 177.04 190.12 9.48 o 4 -4 7 123.84 134.53 6.96 o 4 -3 0 464.92 471.63 22.43 o 4 -3 1 1877.19 1747.96 58.43 o 4 -3 2 603.85 627.64 21.06 o 4 -3 3 1038.76 1077.19 36.14 o 4 -3 4 314.03 320.83 12.64 o 4 -3 5 441.11 498.97 23.89 o 4 -3 6 138.56 158.24 7.97 o 4 -3 7 163.86 196.97 9.81 o 4 -2 0 3131.77 3089.85 147.68 o 4 -2 1 178.56 176.14 6.99 o 4 -2 2 1709.20 1642.36 63.56 o 4 -2 3 226.86 243.14 11.76 o 4 -2 4 856.50 870.14 58.27 o 4 -2 5 108.12 120.94 8.78 o 4 -2 6 335.63 369.20 25.22 o 4 -2 7 62.72 70.78 4.04 o 4 -1 0 1108.66 1010.91 67.35 o 4 -1 1 1212.82 1195.23 46.31 o 4 -1 2 1069.75 1106.60 42.79 o 4 -1 3 762.84 723.60 27.92 o 4 -1 4 442.51 483.01 32.61 o 4 -1 5 365.55 420.65 28.56 o 4 -1 6 174.27 184.82 13.01 o 4 -1 7 141.50 157.27 11.30 o 4 0 0 1038.34 974.23 46.00 o 4 0 1 925.27 911.82 35.25 o 4 0 2 997.80 944.67 36.46 o 4 0 3 636.16 575.63 22.27 o 4 0 4 435.90 394.47 18.83 o 4 0 5 312.71 280.02 13.42 o 4 0 6 176.91 147.95 10.30 o 4 0 7 125.00 105.00 7.54 o 4 1 0 2310.96 2346.16 110.89 o 4 1 1 81.05 78.29 2.91 o 4 1 2 1397.23 1345.75 63.34 o 4 1 3 133.66 127.47 6.31 o 4 1 4 721.83 713.63 33.79 o 4 1 5 74.75 76.92 3.99 o 4 1 6 293.98 316.00 15.15 o 4 1 7 47.46 40.21 3.32 o 4 2 0 305.38 330.46 15.90 o 4 2 1 1205.22 1209.21 46.73 o 4 2 2 360.05 344.89 13.56 o 4 2 3 716.85 714.02 27.60 o 4 2 4 195.60 194.79 9.46 o 4 2 5 333.75 346.93 16.61 o 4 2 6 91.92 92.17 4.76 o 4 2 7 132.38 134.98 6.79 o 4 3 0 433.07 409.73 27.86 o 4 3 1 573.00 564.41 27.00 o 4 3 2 429.42 424.85 14.42 o 4 3 3 396.21 389.44 13.23 o 4 3 4 225.45 259.73 12.55 o 4 3 5 209.71 236.87 11.51 o 4 3 6 104.67 111.76 5.69 o 4 4 0 1244.33 1242.95 83.10 o 4 4 1 35.09 34.62 1.95 o 4 4 2 864.67 842.67 32.70 o 4 4 3 46.00 45.79 2.36 o 4 4 4 470.16 529.05 35.85 o 4 4 5 29.35 30.38 4.03 o 4 4 6 205.36 215.46 10.94 o 5 -9 0 110.65 110.90 5.95 o 5 -9 1 446.61 437.85 14.97 o 5 -9 2 122.42 119.89 4.48 o 5 -9 3 300.25 299.54 10.39 o 5 -9 4 83.82 84.26 3.38 o 5 -9 5 160.19 171.58 8.97 o 5 -9 6 48.33 49.07 5.01 o 5 -8 0 297.24 297.69 14.55 o 5 -8 1 793.42 752.82 25.36 o 5 -8 2 282.66 289.05 10.03 o 5 -8 3 485.24 488.89 16.61 o 5 -8 4 150.76 145.28 5.32 o 5 -8 5 226.89 206.38 10.42 o 5 -8 6 70.08 74.14 4.62 o 5 -7 0 1066.38 1099.56 52.16 o 5 -7 1 115.94 119.20 4.40 o 5 -7 2 722.89 670.14 22.58 o 5 -7 3 117.27 109.66 4.03 o 5 -7 4 413.40 384.82 13.10 o 5 -7 5 66.41 65.49 3.99 o 5 -7 6 186.80 189.18 9.57 o 5 -6 0 446.52 442.73 21.27 o 5 -6 1 1463.43 1421.95 47.54 o 5 -6 2 455.68 438.39 14.86 o 5 -6 3 823.88 768.63 25.77 o 5 -6 4 224.91 214.67 7.43 o 5 -6 5 354.82 370.79 17.93 o 5 -6 6 97.14 92.32 5.11 o 5 -6 7 134.88 131.64 7.01 o 5 -5 0 705.96 670.62 32.01 o 5 -5 1 1581.69 1626.98 54.23 o 5 -5 2 667.92 632.00 21.30 o 5 -5 3 868.47 813.67 27.23 o 5 -5 4 303.02 302.41 10.33 o 5 -5 5 362.88 363.33 17.54 o 5 -5 6 123.39 120.57 6.28 o 5 -5 7 135.97 130.94 6.86 o 5 -4 0 2317.75 2256.09 106.34 o 5 -4 1 79.21 76.91 2.93 o 5 -4 2 1402.26 1399.48 46.77 o 5 -4 3 132.46 131.66 4.67 o 5 -4 4 724.30 746.74 28.99 o 5 -4 5 74.07 81.79 4.46 o 5 -4 6 295.03 337.80 16.38 o 5 -4 7 47.10 49.51 3.57 o 5 -3 0 965.99 997.46 47.16 o 5 -3 1 2930.69 2859.95 95.61 o 5 -3 2 890.92 830.97 32.27 o 5 -3 3 1400.11 1476.91 49.39 o 5 -3 4 358.51 368.38 14.46 o 5 -3 5 521.38 604.45 28.79 o 5 -3 6 132.87 147.15 7.52 o 5 -3 7 180.33 197.83 9.94 o 5 -2 0 352.41 340.35 16.44 o 5 -2 1 1692.76 1684.00 64.78 o 5 -2 2 435.32 417.89 16.30 o 5 -2 3 937.01 1000.93 38.67 o 5 -2 4 239.05 238.38 11.62 o 5 -2 5 403.85 466.89 31.66 o 5 -2 6 110.69 122.32 9.25 o 5 -2 7 152.52 170.43 8.60 o 5 -1 0 3075.49 2898.10 192.37 o 5 -1 1 80.21 81.71 3.45 o 5 -1 2 1816.52 1766.80 68.22 o 5 -1 3 116.81 99.30 4.92 o 5 -1 4 861.26 949.47 63.51 o 5 -1 5 61.11 76.84 6.00 o 5 -1 6 333.76 414.84 28.21 o 5 -1 7 39.60 34.18 3.36 o 5 0 0 705.72 696.26 33.02 o 5 0 1 1580.25 1569.78 60.52 o 5 0 2 673.43 674.56 22.67 o 5 0 3 858.65 768.52 29.63 o 5 0 4 306.28 270.56 12.99 o 5 0 5 360.13 312.33 14.93 o 5 0 6 124.86 101.55 7.32 o 5 0 7 134.52 110.88 8.10 o 5 1 0 138.52 128.66 6.49 o 5 1 1 1086.55 1085.32 36.43 o 5 1 2 189.28 170.95 8.38 o 5 1 3 663.58 633.91 24.50 o 5 1 4 132.93 124.01 6.20 o 5 1 5 312.65 306.19 14.69 o 5 1 6 73.96 71.35 3.84 o 5 1 7 126.53 111.58 8.13 o 5 2 0 1468.40 1457.95 69.11 o 5 2 1 93.92 92.49 3.97 o 5 2 2 975.12 956.04 37.05 o 5 2 3 98.11 102.09 4.23 o 5 2 4 511.76 512.38 24.39 o 5 2 5 53.04 55.87 3.29 o 5 2 6 216.76 223.41 10.91 o 5 3 0 323.83 308.95 21.27 o 5 3 1 465.09 438.30 21.08 o 5 3 2 316.56 311.60 10.75 o 5 3 3 310.79 304.26 10.47 o 5 3 4 178.29 189.69 9.41 o 5 3 5 163.97 184.04 9.13 o 5 3 6 86.41 87.30 4.87 o 5 4 0 138.28 132.89 9.73 o 5 4 1 415.31 399.99 15.80 o 5 4 2 147.15 141.63 6.00 o 5 4 3 282.78 273.26 10.98 o 5 4 4 99.05 89.99 4.81 o 5 4 5 149.46 158.74 11.76 o 5 5 0 440.65 424.47 20.55 o 5 5 1 46.56 47.51 2.22 o 5 5 2 330.57 328.74 13.15 o 5 5 3 47.55 48.72 2.70 o 5 5 4 202.26 185.12 7.72 o 5 5 5 31.54 30.92 2.74 o 6 -11 0 111.83 110.97 6.05 o 6 -11 1 184.64 186.73 6.78 o 6 -11 2 107.41 116.11 4.46 o 6 -11 3 137.55 137.31 5.19 o 6 -11 4 68.24 63.61 2.95 o 6 -10 0 131.97 142.69 7.56 o 6 -10 1 343.07 345.90 11.95 o 6 -10 2 128.57 136.35 5.08 o 6 -10 3 241.10 254.22 8.96 o 6 -10 4 77.95 76.07 3.19 o 6 -10 5 132.08 138.05 7.37 o 6 -9 0 518.73 506.01 24.35 o 6 -9 1 61.98 59.69 2.58 o 6 -9 2 382.17 377.63 13.00 o 6 -9 3 63.62 65.31 2.81 o 6 -9 4 236.45 243.45 8.55 o 6 -9 5 41.85 41.45 3.34 o 6 -9 6 116.51 121.75 9.71 o 6 -8 0 191.15 192.23 9.67 o 6 -8 1 538.44 547.31 18.62 o 6 -8 2 202.65 195.81 6.94 o 6 -8 3 358.95 337.48 11.56 o 6 -8 4 122.87 115.63 4.30 o 6 -8 5 187.97 182.97 7.68 o 6 -8 6 63.89 59.57 3.74 o 6 -7 0 228.59 235.20 11.69 o 6 -7 1 628.99 574.05 19.44 o 6 -7 2 245.54 239.95 8.37 o 6 -7 3 418.14 392.79 13.40 o 6 -7 4 142.50 143.84 5.20 o 6 -7 5 217.60 219.78 9.05 o 6 -7 6 72.51 73.21 4.31 o 6 -6 0 1201.48 1119.18 53.18 o 6 -6 1 127.07 120.82 4.43 o 6 -6 2 798.37 781.72 26.24 o 6 -6 3 128.47 117.36 4.30 o 6 -6 4 445.72 453.06 15.32 o 6 -6 5 71.21 68.51 3.23 o 6 -6 6 196.81 212.22 10.64 o 6 -6 7 43.19 42.98 5.27 o 6 -5 0 126.04 128.45 6.55 o 6 -5 1 1087.62 1059.94 35.66 o 6 -5 2 183.77 176.25 6.19 o 6 -5 3 661.26 665.50 22.36 o 6 -5 4 129.67 138.73 4.95 o 6 -5 5 315.74 329.31 13.04 o 6 -5 6 72.16 83.43 4.64 o 6 -5 7 128.31 123.12 6.69 o 6 -4 0 303.24 317.03 15.35 o 6 -4 1 1196.58 1117.11 37.56 o 6 -4 2 354.50 342.78 11.68 o 6 -4 3 718.50 733.97 24.61 o 6 -4 4 193.75 211.54 7.35 o 6 -4 5 332.17 361.24 14.30 o 6 -4 6 91.72 107.67 5.71 o 6 -4 7 131.87 142.54 7.63 o 6 -3 0 1804.92 1603.92 76.40 o 6 -3 1 146.18 150.68 5.31 o 6 -3 2 1132.22 1165.51 39.09 o 6 -3 3 158.19 175.98 6.13 o 6 -3 4 593.61 626.87 24.43 o 6 -3 5 81.34 93.11 4.97 o 6 -3 6 247.11 294.10 14.34 o 6 -3 7 48.16 50.68 3.36 o 6 -2 0 141.85 149.48 7.40 o 6 -2 1 1235.67 1188.79 45.90 o 6 -2 2 215.50 197.30 7.86 o 6 -2 3 735.82 753.42 29.48 o 6 -2 4 148.76 167.52 8.37 o 6 -2 5 340.32 406.78 27.78 o 6 -2 6 80.23 98.81 7.63 o 6 -2 7 135.61 153.80 7.91 o 6 -1 0 440.98 425.48 28.68 o 6 -1 1 1469.39 1473.80 56.93 o 6 -1 2 446.77 455.08 17.81 o 6 -1 3 834.40 687.72 32.48 o 6 -1 4 219.64 206.90 9.98 o 6 -1 5 358.20 308.31 20.97 o 6 -1 6 94.65 82.11 6.16 o 6 -1 7 136.55 110.96 8.38 o 6 0 0 1201.33 1211.43 80.77 o 6 0 1 119.35 121.49 5.02 o 6 0 2 799.73 797.66 26.77 o 6 0 3 123.66 114.43 4.65 o 6 0 4 448.32 402.53 19.21 o 6 0 5 68.86 64.94 3.48 o 6 0 6 198.78 196.73 13.67 o 6 1 0 255.46 260.60 12.71 o 6 1 1 941.78 939.62 31.64 o 6 1 2 272.62 258.20 12.52 o 6 1 3 577.64 581.68 22.55 o 6 1 4 154.43 165.12 8.18 o 6 1 5 270.06 281.04 13.59 o 6 1 6 74.50 77.24 4.18 o 6 2 0 274.01 275.80 13.44 o 6 2 1 733.48 714.89 27.87 o 6 2 2 261.52 255.98 10.27 o 6 2 3 456.71 452.98 17.73 o 6 2 4 141.12 148.47 7.47 o 6 2 5 217.19 232.29 11.37 o 6 2 6 66.14 60.78 3.62 o 6 3 0 560.10 525.03 35.61 o 6 3 1 38.33 31.38 2.46 o 6 3 2 412.48 423.52 16.72 o 6 3 3 48.17 53.07 2.57 o 6 3 4 252.41 281.19 13.76 o 6 3 5 34.59 35.28 2.50 o 6 4 0 155.86 151.70 11.07 o 6 4 1 446.89 422.81 16.73 o 6 4 2 147.72 139.83 6.03 o 6 4 3 293.49 283.81 11.43 o 6 4 4 86.11 90.80 3.96 o 6 4 5 148.57 144.83 11.07 o 6 5 0 72.71 67.24 4.10 o 6 5 1 242.85 240.89 9.84 o 6 5 2 72.07 77.90 3.94 o 6 5 3 171.17 172.44 7.30 o 6 5 4 48.71 41.21 3.05 o 6 6 0 232.73 229.25 11.55 o 6 6 1 14.94 11.79 1.47 o 6 6 2 185.55 175.54 6.48 o 6 6 3 17.12 12.56 1.80 o 7 -13 0 54.73 51.26 3.83 o 7 -13 1 132.12 112.61 4.66 o 7 -13 2 50.88 47.02 4.74 o 7 -12 0 80.16 82.79 4.91 o 7 -12 1 117.43 115.51 4.50 o 7 -12 2 77.22 74.62 3.28 o 7 -12 3 89.16 79.62 3.59 o 7 -11 0 383.24 382.46 18.69 o 7 -11 1 22.89 22.02 1.73 o 7 -11 2 295.26 306.45 10.73 o 7 -11 3 23.46 25.27 1.82 o 7 -11 4 178.95 154.81 5.84 o 7 -10 0 110.84 121.38 6.51 o 7 -10 1 361.41 384.66 13.27 o 7 -10 2 108.25 117.49 4.50 o 7 -10 3 242.67 252.47 8.93 o 7 -10 4 66.94 68.19 3.11 o 7 -10 5 128.56 118.71 5.56 o 7 -9 0 140.86 149.54 7.72 o 7 -9 1 386.07 408.63 14.04 o 7 -9 2 144.97 161.43 5.89 o 7 -9 3 266.25 252.99 8.82 o 7 -9 4 93.93 97.31 3.80 o 7 -9 5 141.90 135.41 5.94 o 7 -8 0 1093.42 1138.16 54.03 o 7 -8 1 44.87 43.74 2.08 o 7 -8 2 773.77 761.25 25.66 o 7 -8 3 45.43 47.80 2.10 o 7 -8 4 416.81 413.45 14.09 o 7 -8 5 26.12 23.49 2.13 o 7 -8 6 181.06 175.60 9.19 o 7 -7 0 261.69 238.46 11.77 o 7 -7 1 527.17 547.76 18.59 o 7 -7 2 263.88 272.91 9.46 o 7 -7 3 349.29 340.06 11.63 o 7 -7 4 150.46 154.06 5.56 o 7 -7 5 183.46 189.59 7.84 o 7 -7 6 74.47 76.15 4.43 o 7 -6 0 250.55 246.54 12.12 o 7 -6 1 952.84 894.22 30.05 o 7 -6 2 265.64 264.67 9.15 o 7 -6 3 588.68 587.22 19.82 o 7 -6 4 149.99 168.21 5.95 o 7 -6 5 273.93 293.85 11.76 o 7 -6 6 72.24 85.01 4.79 o 7 -5 0 1461.32 1494.39 70.89 o 7 -5 1 96.96 97.13 3.60 o 7 -5 2 969.27 913.57 30.78 o 7 -5 3 100.29 102.08 3.77 o 7 -5 4 508.19 551.61 18.64 o 7 -5 5 54.32 55.80 2.85 o 7 -5 6 214.99 241.32 11.97 o 7 -4 0 442.74 411.57 19.76 o 7 -4 1 579.46 568.25 19.14 o 7 -4 2 438.91 440.05 14.92 o 7 -4 3 393.55 430.09 14.57 o 7 -4 4 228.84 258.26 8.89 o 7 -4 5 209.12 235.31 9.50 o 7 -4 6 105.36 129.33 6.80 o 7 -3 0 392.71 391.27 18.79 o 7 -3 1 946.58 892.06 29.92 o 7 -3 2 392.97 414.57 14.09 o 7 -3 3 582.01 637.56 24.79 o 7 -3 4 204.42 237.48 9.51 o 7 -3 5 271.20 303.46 12.13 o 7 -3 6 92.65 112.72 6.03 o 7 -2 0 1058.27 1047.49 49.63 o 7 -2 1 124.56 113.87 4.71 o 7 -2 2 715.24 673.72 26.15 o 7 -2 3 123.02 113.42 4.71 o 7 -2 4 407.54 388.11 18.62 o 7 -2 5 69.49 63.64 5.05 o 7 -2 6 183.42 166.38 11.91 o 7 -1 0 232.76 224.85 15.45 o 7 -1 1 638.82 648.93 25.16 o 7 -1 2 250.58 256.72 10.14 o 7 -1 3 419.85 385.72 18.40 o 7 -1 4 143.98 136.71 6.79 o 7 -1 5 219.59 216.05 14.96 o 7 -1 6 72.46 69.21 5.47 o 7 0 0 258.99 274.93 18.77 o 7 0 1 522.56 519.18 20.28 o 7 0 2 260.11 276.71 9.50 o 7 0 3 350.31 328.35 12.89 o 7 0 4 149.14 152.14 6.16 o 7 0 5 183.16 176.16 12.31 o 7 0 6 74.32 69.79 5.49 o 7 1 0 667.88 666.98 31.98 o 7 1 1 53.97 52.34 2.51 o 7 1 2 483.57 466.87 22.44 o 7 1 3 59.10 63.44 2.91 o 7 1 4 290.62 278.81 9.51 o 7 1 5 39.22 39.24 2.68 o 7 1 6 139.11 122.85 6.47 o 7 2 0 70.76 82.87 4.54 o 7 2 1 397.67 388.02 15.40 o 7 2 2 81.61 90.72 4.89 o 7 2 3 273.85 289.10 11.43 o 7 2 4 59.32 57.49 2.60 o 7 2 5 151.51 156.31 8.00 o 7 3 0 101.87 97.54 7.81 o 7 3 1 296.94 290.46 14.38 o 7 3 2 102.92 115.02 5.01 o 7 3 3 212.35 212.54 8.63 o 7 3 4 66.81 70.40 2.73 o 7 3 5 119.17 119.32 6.37 o 7 4 0 305.47 276.25 19.52 o 7 4 1 20.52 21.28 2.22 o 7 4 2 238.74 228.52 9.36 o 7 4 3 24.00 21.32 2.46 o 7 4 4 152.33 139.36 5.85 o 7 5 0 36.82 36.05 2.91 o 7 5 1 155.16 150.32 6.48 o 7 5 2 39.81 36.72 2.46 o 7 5 3 114.54 93.53 4.74 o 7 6 0 45.04 42.59 3.81 o 7 6 1 138.71 120.20 4.88 o 7 6 2 43.35 33.78 3.84 o 8 -13 0 150.57 131.27 7.57 o 8 -13 1 8.86 6.92 2.50 < 8 -12 0 54.78 60.71 4.01 o 8 -12 1 123.51 124.25 4.83 o 8 -12 2 55.69 60.32 3.04 o 8 -12 3 92.24 81.85 3.70 o 8 -11 0 61.51 68.05 4.23 o 8 -11 1 205.92 222.31 8.02 o 8 -11 2 61.92 64.58 2.89 o 8 -11 3 147.45 153.70 5.76 o 8 -11 4 43.93 35.96 2.52 o 8 -10 0 318.11 338.42 16.65 o 8 -10 1 32.48 37.27 2.19 o 8 -10 2 246.34 276.00 9.77 o 8 -10 3 34.86 36.75 2.07 o 8 -10 4 160.00 151.89 5.62 o 8 -10 5 25.44 24.86 2.47 o 8 -9 0 151.14 159.43 8.27 o 8 -9 1 302.77 336.20 11.62 o 8 -9 2 149.46 151.79 5.57 o 8 -9 3 208.43 210.30 7.49 o 8 -9 4 95.16 97.21 3.91 o 8 -9 5 113.76 106.56 4.22 o 8 -8 0 222.04 218.28 10.96 o 8 -8 1 356.50 366.78 12.64 o 8 -8 2 212.33 206.43 7.33 o 8 -8 3 242.17 233.68 8.18 o 8 -8 4 126.61 129.10 4.83 o 8 -8 5 128.68 126.36 4.73 o 8 -7 0 664.94 654.22 31.37 o 8 -7 1 49.33 51.02 2.27 o 8 -7 2 482.23 478.07 16.26 o 8 -7 3 56.03 58.68 2.44 o 8 -7 4 291.29 310.09 10.70 o 8 -7 5 37.71 40.60 1.94 o 8 -7 6 140.08 134.46 7.21 o 8 -6 0 275.20 274.52 13.50 o 8 -6 1 733.34 654.32 22.19 o 8 -6 2 264.78 269.10 9.31 o 8 -6 3 452.79 476.24 16.16 o 8 -6 4 143.40 148.66 5.38 o 8 -6 5 215.84 225.00 9.24 o 8 -6 6 67.31 71.40 4.31 o 8 -5 0 322.52 298.06 14.51 o 8 -5 1 463.93 457.19 15.59 o 8 -5 2 313.84 315.16 10.84 o 8 -5 3 314.17 328.95 11.24 o 8 -5 4 177.43 198.48 6.96 o 8 -5 5 164.88 181.68 7.51 o 8 -5 6 86.36 94.29 5.28 o 8 -4 0 1242.24 1101.35 52.09 o 8 -4 1 33.64 28.74 1.40 o 8 -4 2 863.36 890.82 30.00 o 8 -4 3 45.11 50.67 2.10 o 8 -4 4 469.91 539.20 18.24 o 8 -4 5 28.97 36.26 2.09 o 8 -4 6 205.47 245.99 12.21 o 8 -3 0 295.99 300.38 14.56 o 8 -3 1 794.80 780.31 26.23 o 8 -3 2 284.20 280.21 9.61 o 8 -3 3 482.14 488.86 16.66 o 8 -3 4 152.08 159.01 6.53 o 8 -3 5 226.17 225.06 9.15 o 8 -3 6 70.80 63.71 3.74 o 8 -2 0 188.49 208.50 10.17 o 8 -2 1 539.10 536.36 20.90 o 8 -2 2 198.85 203.26 8.13 o 8 -2 3 362.42 365.91 14.41 o 8 -2 4 121.14 119.26 6.05 o 8 -2 5 188.54 188.98 13.22 o 8 -2 6 63.35 58.08 5.20 o 8 -1 0 1093.19 1101.00 73.47 o 8 -1 1 44.90 49.98 2.34 o 8 -1 2 773.60 830.37 32.19 o 8 -1 3 45.46 44.28 2.61 o 8 -1 4 416.71 426.69 20.40 o 8 -1 5 26.14 23.84 2.95 o 8 -1 6 181.02 160.74 11.54 o 8 0 0 220.79 237.19 16.39 o 8 0 1 356.73 391.81 18.83 o 8 0 2 212.51 243.45 9.68 o 8 0 3 239.80 243.61 11.82 o 8 0 4 126.53 114.44 5.79 o 8 0 5 128.06 131.97 9.49 o 8 1 0 120.84 146.76 10.48 o 8 1 1 374.46 413.40 16.27 o 8 1 2 122.44 127.16 6.59 o 8 1 3 257.29 263.44 10.50 o 8 1 4 78.86 81.38 3.10 o 8 1 5 136.85 135.34 7.00 o 8 2 0 442.81 395.62 27.15 o 8 2 1 43.14 43.86 3.23 o 8 2 2 333.37 351.84 17.26 o 8 2 3 39.97 42.72 2.37 o 8 2 4 196.71 187.85 6.62 o 8 2 5 25.02 27.83 3.84 o 8 3 0 102.35 112.08 8.93 o 8 3 1 143.51 124.93 6.72 o 8 3 2 98.50 98.59 7.81 o 8 3 3 108.06 114.17 5.00 o 8 3 4 64.74 55.60 2.49 o 8 4 0 77.40 71.51 6.21 o 8 4 1 144.10 125.87 6.86 o 8 4 2 73.22 63.57 3.37 o 8 4 3 104.81 80.52 5.07 o 8 5 0 144.65 118.62 6.77 o 8 5 1 16.16 14.44 2.61 o 9 -13 0 50.54 44.94 6.61 o 9 -13 1 126.65 120.21 7.43 o 9 -12 0 175.77 179.69 9.38 o 9 -12 1 14.03 11.14 1.73 o 9 -12 2 142.33 132.04 5.26 o 9 -12 3 15.92 11.53 2.66 o 9 -11 0 83.81 94.03 5.53 o 9 -11 1 203.51 219.15 7.91 o 9 -11 2 79.94 95.41 3.87 o 9 -11 3 147.27 141.76 5.41 o 9 -11 4 50.86 45.25 3.36 o 9 -10 0 76.57 85.72 5.11 o 9 -10 1 252.69 277.84 9.74 o 9 -10 2 75.97 77.09 3.34 o 9 -10 3 179.18 172.04 6.22 o 9 -10 4 50.40 43.47 2.25 o 9 -9 0 366.54 415.36 20.17 o 9 -9 1 29.84 27.14 1.99 o 9 -9 2 282.30 268.18 9.43 o 9 -9 3 32.28 30.69 1.86 o 9 -9 4 180.69 181.45 6.58 o 9 -9 5 23.86 20.05 2.13 o 9 -8 0 122.22 124.32 6.52 o 9 -8 1 370.57 405.46 13.98 o 9 -8 2 124.72 132.69 4.92 o 9 -8 3 253.07 269.88 9.45 o 9 -8 4 80.39 86.37 3.59 o 9 -8 5 135.38 137.88 5.18 o 9 -7 0 73.90 79.46 4.41 o 9 -7 1 393.36 365.40 12.56 o 9 -7 2 83.21 88.88 3.44 o 9 -7 3 271.89 288.98 10.09 o 9 -7 4 60.70 66.35 2.87 o 9 -7 5 149.01 159.38 5.84 o 9 -6 0 565.98 510.54 24.41 o 9 -6 1 38.63 34.18 1.71 o 9 -6 2 416.99 393.71 13.42 o 9 -6 3 48.17 49.81 2.24 o 9 -6 4 254.63 280.95 9.79 o 9 -6 5 34.38 40.16 2.39 o 9 -6 6 123.99 99.56 8.75 o 9 -5 0 135.21 125.83 6.44 o 9 -5 1 410.16 383.60 13.05 o 9 -5 2 146.10 146.22 5.24 o 9 -5 3 277.93 315.79 10.88 o 9 -5 4 98.44 112.82 4.27 o 9 -5 5 148.62 159.08 6.72 o 9 -5 6 55.36 67.16 6.31 o 9 -4 0 114.50 108.30 5.60 o 9 -4 1 447.52 434.26 14.75 o 9 -4 2 124.15 124.73 4.51 o 9 -4 3 302.14 299.43 10.32 o 9 -4 4 84.94 91.20 3.46 o 9 -4 5 159.47 162.88 6.76 o 9 -4 6 48.96 46.13 5.08 o 9 -3 0 522.38 534.36 25.53 o 9 -3 1 56.92 57.01 2.30 o 9 -3 2 386.02 387.18 13.20 o 9 -3 3 59.97 66.15 2.60 o 9 -3 4 239.93 251.20 10.07 o 9 -3 5 39.79 41.76 2.22 o 9 -2 0 142.07 148.86 7.46 o 9 -2 1 380.25 415.33 14.07 o 9 -2 2 147.24 155.02 6.36 o 9 -2 3 260.59 274.74 10.92 o 9 -2 4 95.35 106.41 5.62 o 9 -2 5 139.94 122.73 6.23 o 9 -1 0 152.22 157.65 10.98 o 9 -1 1 305.17 341.25 13.46 o 9 -1 2 149.34 164.56 6.70 o 9 -1 3 211.70 211.26 10.38 o 9 -1 4 95.09 87.42 4.63 o 9 -1 5 114.74 110.26 8.28 o 9 0 0 364.02 415.31 28.20 o 9 0 1 26.64 30.96 2.28 o 9 0 2 280.97 322.16 15.52 o 9 0 3 30.09 27.60 2.01 o 9 0 4 180.98 172.01 8.57 o 9 0 5 22.76 24.86 3.07 o 9 1 0 106.03 132.76 9.59 o 9 1 1 276.46 337.52 23.14 o 9 1 2 101.91 111.11 4.77 o 9 1 3 192.18 196.02 7.96 o 9 1 4 63.88 55.75 2.74 o 9 2 1 148.35 152.84 7.87 o 9 2 2 76.30 81.54 4.64 o 9 2 3 110.21 116.40 5.09 o 9 2 4 51.41 38.39 4.69 o 9 3 0 216.56 193.67 14.01 o 9 3 1 7.65 10.67 3.06 o 9 3 2 174.87 129.04 10.27 o 9 3 3 9.77 6.69 3.30 < 9 4 1 116.27 94.20 8.49 o 10 -12 0 51.31 53.86 3.87 o 10 -12 1 100.10 95.74 4.03 o 10 -12 2 49.42 51.94 3.98 o 10 -11 0 253.19 280.80 14.07 o 10 -11 1 24.58 26.51 2.14 o 10 -11 2 198.47 211.02 7.68 o 10 -11 3 22.64 18.05 1.80 o 10 -10 0 47.16 52.67 3.74 o 10 -10 1 202.24 223.82 8.02 o 10 -10 2 49.18 53.24 2.70 o 10 -10 3 145.85 140.16 5.27 o 10 -10 4 35.87 27.00 2.65 o 10 -9 0 103.21 109.62 5.99 o 10 -9 1 279.18 300.51 10.55 o 10 -9 2 98.76 106.73 4.14 o 10 -9 3 195.48 206.77 7.39 o 10 -9 4 61.71 58.72 2.77 o 10 -8 0 444.35 451.34 22.10 o 10 -8 1 42.56 42.88 2.07 o 10 -8 2 334.71 347.96 12.04 o 10 -8 3 39.50 39.29 2.17 o 10 -8 4 197.60 202.47 7.33 o 10 -8 5 24.70 21.56 2.48 o 10 -7 0 105.12 91.05 4.87 o 10 -7 1 296.72 298.64 10.38 o 10 -7 2 106.34 106.59 4.02 o 10 -7 3 210.60 236.99 8.39 o 10 -7 4 68.65 73.80 3.17 o 10 -7 5 118.65 120.75 4.75 o 10 -6 0 152.97 148.23 7.46 o 10 -6 1 449.49 418.82 14.28 o 10 -6 2 144.01 149.81 5.40 o 10 -6 3 297.43 331.46 11.44 o 10 -6 4 83.34 98.12 3.80 o 10 -6 5 150.50 146.59 6.44 o 10 -5 0 439.53 438.37 21.08 o 10 -5 1 48.82 47.27 2.05 o 10 -5 2 329.23 320.67 11.02 o 10 -5 3 49.19 46.80 2.13 o 10 -5 4 200.87 212.52 7.49 o 10 -5 5 32.47 24.65 1.89 o 10 -4 0 137.19 141.61 7.17 o 10 -4 1 342.73 348.57 11.89 o 10 -4 2 133.76 141.40 5.12 o 10 -4 3 238.71 255.84 8.92 o 10 -4 4 80.91 90.67 3.53 o 10 -4 5 130.95 128.79 5.60 o 10 -3 0 111.35 124.61 6.41 o 10 -3 1 358.46 388.60 13.25 o 10 -3 2 107.73 119.95 4.38 o 10 -3 3 242.20 265.18 9.23 o 10 -3 4 66.57 71.72 3.31 o 10 -3 5 127.88 110.11 4.89 o 10 -2 0 319.64 359.12 17.26 o 10 -2 1 35.54 37.52 1.82 o 10 -2 2 246.92 264.06 10.54 o 10 -2 3 37.00 39.56 2.10 o 10 -2 4 159.35 138.74 7.09 o 10 -2 5 26.55 28.03 3.59 o 10 -1 0 77.28 91.71 4.97 o 10 -1 1 253.90 285.41 11.37 o 10 -1 2 77.17 87.05 3.95 o 10 -1 3 178.96 184.79 9.17 o 10 -1 4 51.08 52.85 3.23 o 10 0 0 48.32 51.90 4.64 o 10 0 1 200.17 233.60 11.38 o 10 0 2 49.73 56.94 3.32 o 10 0 3 144.86 143.66 7.27 o 10 0 4 36.33 23.96 2.27 o 10 1 0 186.24 221.21 15.58 o 10 1 1 15.86 16.69 2.34 o 10 1 2 150.15 175.04 8.77 o 10 1 3 18.60 16.49 1.84 o 10 2 2 37.73 39.35 2.84 o 11 -12 0 50.37 50.85 6.03 o 11 -12 1 72.65 78.20 5.53 o 11 -11 0 46.59 52.11 4.05 o 11 -11 1 117.00 118.25 4.72 o 11 -11 2 46.11 41.62 2.38 o 11 -10 0 182.09 204.97 10.55 o 11 -10 1 15.59 16.33 1.67 o 11 -10 2 146.89 148.03 5.56 o 11 -10 3 18.56 14.48 1.73 o 11 -9 0 79.24 81.91 4.70 o 11 -9 1 149.71 153.71 5.72 o 11 -9 2 76.75 77.29 3.34 o 11 -9 3 110.25 109.34 4.30 o 11 -9 4 51.47 51.04 4.11 o 11 -8 0 100.79 100.68 5.38 o 11 -8 1 142.91 146.51 5.45 o 11 -8 2 96.91 108.18 4.19 o 11 -8 3 108.89 112.91 4.35 o 11 -8 4 64.13 62.61 2.89 o 11 -7 0 301.83 278.34 13.61 o 11 -7 1 20.60 19.23 1.30 o 11 -7 2 235.82 249.17 8.79 o 11 -7 3 24.20 26.86 1.85 o 11 -7 4 150.75 152.32 5.65 o 11 -6 0 71.21 69.07 3.91 o 11 -6 1 246.43 236.43 8.24 o 11 -6 2 71.36 69.23 2.83 o 11 -6 3 172.79 175.03 6.29 o 11 -6 4 48.14 45.49 2.18 o 11 -5 0 107.92 122.44 6.31 o 11 -5 1 184.20 187.91 6.60 o 11 -5 2 103.78 113.76 4.25 o 11 -5 3 138.85 136.45 5.02 o 11 -5 4 66.42 69.75 2.99 o 11 -4 0 382.80 394.30 18.99 o 11 -4 1 22.89 23.59 1.39 o 11 -4 2 294.92 299.78 10.35 o 11 -4 3 23.47 23.11 1.46 o 11 -4 4 178.76 187.63 6.74 o 11 -3 0 59.72 70.03 3.95 o 11 -3 1 206.99 222.99 7.79 o 11 -3 2 60.93 66.86 2.78 o 11 -3 3 147.67 160.23 5.76 o 11 -3 4 43.28 39.26 2.37 o 11 -2 0 79.93 99.44 5.32 o 11 -2 1 205.26 219.02 7.65 o 11 -2 2 76.18 88.29 3.40 o 11 -2 3 149.71 146.37 7.52 o 11 -2 4 48.50 55.74 5.00 o 11 -1 0 252.43 281.85 13.73 o 11 -1 1 24.81 25.68 1.80 o 11 -1 2 197.82 218.23 8.83 o 11 -1 3 22.84 16.28 1.91 o 11 0 0 46.90 57.59 4.88 o 11 0 1 116.01 131.20 5.56 o 11 0 2 46.63 47.41 3.15 o 11 1 1 127.47 144.30 10.50 o 12 -11 0 50.82 52.32 5.99 o 12 -11 1 126.40 115.79 6.83 o 12 -10 0 37.97 32.22 2.72 o 12 -10 1 121.18 113.16 4.58 o 12 -10 2 37.94 37.22 3.37 o 12 -9 0 218.23 182.92 9.28 o 12 -9 1 8.26 6.83 1.40 o 12 -9 2 176.09 171.36 6.44 o 12 -9 3 10.15 9.37 2.28 o 12 -8 0 77.43 74.33 4.30 o 12 -8 1 142.35 133.10 4.88 o 12 -8 2 73.67 71.13 3.06 o 12 -8 3 102.84 94.01 3.95 o 12 -7 0 38.19 35.10 2.66 o 12 -7 1 156.95 146.38 5.30 o 12 -7 2 40.55 42.37 2.34 o 12 -7 3 115.87 99.06 3.98 o 12 -6 0 233.03 217.14 10.85 o 12 -6 1 14.63 13.44 1.36 o 12 -6 2 185.86 178.32 6.36 o 12 -6 3 16.88 14.12 1.39 o 12 -5 0 80.29 80.67 4.52 o 12 -5 1 116.26 119.69 4.43 o 12 -5 2 77.63 80.05 3.14 o 12 -5 3 87.57 75.56 3.11 o 12 -4 0 55.73 56.00 3.40 o 12 -4 1 126.20 135.20 4.92 o 12 -4 2 56.13 54.98 2.43 o 12 -4 3 94.42 81.59 3.33 o 12 -3 0 173.89 173.16 8.77 o 12 -3 1 13.37 11.72 1.17 o 12 -3 2 140.96 138.03 5.14 o 12 -3 3 15.51 25.05 2.60 o 12 -2 0 52.32 55.72 3.38 o 12 -2 1 100.52 99.43 3.86 o 12 -2 2 50.44 51.24 2.94 o 12 -1 0 50.03 51.48 4.60 o 12 -1 1 73.50 83.26 4.68 o 13 -9 0 50.52 43.79 4.45 o 13 -9 1 116.57 97.31 5.70 o 13 -8 0 145.80 124.12 6.79 o 13 -8 1 15.24 14.16 1.57 o 13 -7 0 46.80 40.33 3.13 o 13 -7 1 136.65 119.27 4.54 o 13 -7 2 45.18 37.64 2.89 o 13 -6 0 55.12 50.25 3.42 o 13 -6 1 131.55 115.94 4.51 o 13 -6 2 50.87 53.06 3.49 o 13 -5 0 151.12 141.55 7.44 o 13 -5 1 8.91 7.27 1.48 o 13 -4 0 51.73 48.23 4.52 o 13 -4 1 125.43 130.14 6.86 o data_In _database_code_depnum_ccdc_archive 'CCDC 872715' #TrackingRef '- naprf4_super_ambient_pressure.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Na1.496 Pr1.504' _chemical_formula_weight 360.3 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting trigonal _symmetry_space_group_name_H-M 'P 3' _symmetry_space_group_name_Hall 'P 3' _symmetry_Int_Tables_number 143 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z _cell_length_a 10.617 _cell_length_b 10.617 _cell_length_c 7.499 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 732.0447 loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 1 0.501(2) 1 0 0 0 1 0 0 0 1 2 0.499(2) -1 0 0 0 -1 0 0 0 1 _cell_formula_units_Z 6 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 4.9022 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 955 _exptl_absorpt_coefficient_mu 3.132 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type Cylindrical _exptl_absorpt_process_details 'Jana2006 (Petricek, Dusek & Palatinus, 2000)' _exptl_absorpt_correction_T_min 0.5823 _exptl_absorpt_correction_T_max 0.6719 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.3978 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 15844 _diffrn_reflns_theta_min 1.24 _diffrn_reflns_theta_max 25.87 _diffrn_reflns_theta_full 25.87 _diffrn_measured_fraction_theta_max 0.98 _diffrn_measured_fraction_theta_full 0.98 _diffrn_reflns_av_R_equivalents 0.0614 _diffrn_reflns_av_sigmaI/netI 0.0695 _diffrn_reflns_limit_h_min -23 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 9130 _reflns_number_gt 3085 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0416 _refine_ls_wR_factor_gt 0.0556 _refine_ls_R_factor_all 0.1427 _refine_ls_wR_factor_all 0.0658 _refine_ls_goodness_of_fit_all 1.01 _refine_ls_goodness_of_fit_gt 1.47 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 9130 _refine_ls_number_parameters 83 _refine_ls_number_restraints 0 _refine_ls_number_constraints 12 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0170 _refine_ls_shift/su_mean 0.0031 _refine_diff_density_max 4.15 _refine_diff_density_min -2.12 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 1010(110) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0031 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0087 0.0073 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Pr -1.1453 1.0220 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pr1a Pr -0.33127(6) 0.00030(11) 0 Uani 0.00842(19) 3 1 d . . . Pr1b Pr -0.33523(7) -0.00023(11) 0.5 Uani 0.00842(19) 3 1 d . . . Na1a Na -0.3388(7) -0.3379(7) 0.1682(11) Uani 0.032(2) 3 1 d . . . Na1b Na -0.3258(6) -0.3305(6) 0.6683(11) Uani 0.032(2) 3 1 d . . . Pr2a Pr -0.333333 -0.666667 0.25912(4) Uani 0.00788(8) 1 0.344(11) d . . . Na2a Na -0.333333 -0.666667 0.25912(4) Uani 0.00788(8) 1 0.656(11) d . . . Pr2b Pr -0.333333 -0.666667 0.75912(4) Uani 0.00788(8) 1 0.629(11) d . . . Na2b Na -0.333333 -0.666667 0.759116 Uani 0.0079 1 0.371(11) d . . . Pr2c Pr -0.666667 -0.333333 0.25912(4) Uani 0.00788(8) 1 0.328(11) d . . . Na2c Na -0.666667 -0.333333 0.25912(4) Uani 0.0079 1 0.672(11) d . . . Pr2d Pr -0.666667 -0.333333 0.759116 Uani 0.00788(8) 1 0.641(11) d . . . Na2d Na -0.666667 -0.333333 0.759116 Uani 0.0079 1 0.358(11) d . . . Pr2e Pr 0 0 0.25912(4) Uani 0.00788(8) 1 0.799(5) d . . . Na2e Na 0 0 0.259116 Uani 0.0079 1 0.201(5) d . . . Pr2f Pr 0 0 0.759116 Uani 0.00788(8) 1 0.283(4) d . . . Na2f Na 0.0350(15) -0.0270(15) 0.759116 Uani 0.0079 3 0.2389(14) d . . . F1a F -0.2542(7) -0.4752(7) 0.0078(9) Uani 0.0115(5) 3 1 d . . . F1b F -0.2601(6) -0.4857(6) 0.5295(10) Uani 0.0115(5) 3 1 d . . . F1c F -0.5841(7) -0.1412(7) 0.0073(9) Uani 0.0115(5) 3 1 d . . . F1d F -0.5967(6) -0.1539(6) 0.5273(10) Uani 0.0115(5) 3 1 d . . . F1e F -0.9231(6) -0.8112(6) 0.0294(9) Uani 0.0115(5) 3 1 d . . . F1f F -0.9277(7) -0.8223(6) 0.5177(7) Uani 0.0115(5) 3 1 d . . . F2a F -0.4973(8) -0.5713(8) 0.2562(14) Uani 0.0138(5) 3 1 d . . . F2b F -0.4932(8) -0.5673(8) 0.7588(15) Uani 0.0138(5) 3 1 d . . . F2c F -0.8316(8) -0.2394(8) 0.2580(14) Uani 0.0138(5) 3 1 d . . . F2d F -0.8269(8) -0.2348(8) 0.7571(14) Uani 0.0138(5) 3 1 d . . . F2e F -0.1618(8) -0.8999(8) 0.2637(14) Uani 0.0138(5) 3 1 d . . . F2f F -0.1663(7) -0.9109(7) 0.7550(13) Uani 0.0138(5) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pr1a Pr 0.00610(16) 0.0091(3) 0.00789(7) 0.0021(2) 0.00216(17) 0.0000(4) Pr1b Pr 0.00610(16) 0.0091(3) 0.00789(7) 0.0021(2) 0.00216(17) 0.0000(4) Na1a Na 0.018(2) 0.020(2) 0.055(4) 0.0068(19) 0.005(2) 0.000(2) Na1b Na 0.018(2) 0.020(2) 0.055(4) 0.0068(19) 0.005(2) 0.000(2) Pr2a Pr 0.00854(10) 0.00854(10) 0.00657(15) 0.00427(5) 0 0 Na2a Na 0.00854(10) 0.00854(10) 0.00657(15) 0.00427(5) 0 0 Pr2b Pr 0.00854(10) 0.00854(10) 0.00657(15) 0.00427(5) 0 0 Na2b Na 0.008541 0.008541 0.006567 0.004271 0 0 Pr2c Pr 0.00854(10) 0.00854(10) 0.00657(15) 0.00427(5) 0 0 Na2c Na 0.008541 0.008541 0.006567 0.004271 0 0 Pr2d Pr 0.00854(10) 0.00854(10) 0.00657(15) 0.00427(5) 0 0 Na2d Na 0.008541 0.008541 0.006567 0.004271 0 0 Pr2e Pr 0.00854(10) 0.00854(10) 0.00657(15) 0.00427(5) 0 0 Na2e Na 0.008541 0.008541 0.006567 0.004271 0 0 Pr2f Pr 0.00854(10) 0.00854(10) 0.00657(15) 0.00427(5) 0 0 Na2f Na 0.008541 0.008541 0.006567 0.004271 0 0 F1a F 0.0111(5) 0.0115(6) 0.0086(9) 0.0032(4) 0.0037(5) 0.0066(6) F1b F 0.0111(5) 0.0115(6) 0.0086(9) 0.0032(4) 0.0037(5) 0.0066(6) F1c F 0.0111(5) 0.0115(6) 0.0086(9) 0.0032(4) 0.0037(5) 0.0066(6) F1d F 0.0111(5) 0.0115(6) 0.0086(9) 0.0032(4) 0.0037(5) 0.0066(6) F1e F 0.0111(5) 0.0115(6) 0.0086(9) 0.0032(4) 0.0037(5) 0.0066(6) F1f F 0.0111(5) 0.0115(6) 0.0086(9) 0.0032(4) 0.0037(5) 0.0066(6) F2a F 0.0109(5) 0.0161(5) 0.0140(12) 0.0064(4) 0.0066(9) 0.0053(9) F2b F 0.0109(5) 0.0161(5) 0.0140(12) 0.0064(4) 0.0066(9) 0.0053(9) F2c F 0.0109(5) 0.0161(5) 0.0140(12) 0.0064(4) 0.0066(9) 0.0053(9) F2d F 0.0109(5) 0.0161(5) 0.0140(12) 0.0064(4) 0.0066(9) 0.0053(9) F2e F 0.0109(5) 0.0161(5) 0.0140(12) 0.0064(4) 0.0066(9) 0.0053(9) F2f F 0.0109(5) 0.0161(5) 0.0140(12) 0.0064(4) 0.0066(9) 0.0053(9) #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Pr1a F1a . 3_555 2.342(6) ? Pr1a F1c . . 2.331(6) ? Pr1a F1e . 2_455 2.357(10) ? Pr1a F2a . 2_455 2.486(11) ? Pr1a F2b . 2_454 2.427(12) ? Pr1a F2c . 3_445 2.481(9) ? Pr1a F2d . 3_444 2.423(9) ? Pr1a F2e . 1_565 2.523(9) ? Pr1a F2f . 1_564 2.383(9) ? Pr1b F1b . 3_555 2.414(6) ? Pr1b F1d . . 2.425(6) ? Pr1b F1f . 2_455 2.435(10) ? Pr1b F2a . 2_455 2.394(11) ? Pr1b F2b . 2_455 2.505(12) ? Pr1b F2c . 3_445 2.387(9) ? Pr1b F2d . 3_445 2.503(10) ? Pr1b F2e . 1_565 2.388(9) ? Pr1b F2f . 1_565 2.464(9) ? Na1a F1a . . 2.385(12) ? Na1a F1b . . 3.437(11) ? Na1a F1c . 3_445 2.364(12) ? Na1a F1d . 3_445 3.390(11) ? Na1a F1e . 2_455 2.358(9) ? Na1a F1f . 2_455 3.415(9) ? Na1a F2a . . 2.289(9) ? Na1a F2c . 3_445 2.355(15) ? Na1a F2e . 2_445 2.355(11) ? Na1b Na2f . 3_555 3.060(13) ? Na1b F1a . 1_556 3.254(11) ? Na1b F1b . . 2.331(11) ? Na1b F1c . 3_446 3.330(11) ? Na1b F1d . 3_445 2.419(11) ? Na1b F1e . 2_456 3.386(10) ? Na1b F1f . 2_455 2.387(9) ? Na1b F2b . . 2.339(9) ? Na1b F2d . 3_445 2.335(14) ? Na1b F2f . 2_445 2.317(10) ? Pr2a Na2a . . 0 ? Pr2a F1a . . 2.585(7) ? Pr2a F1a . 2_445 2.585(6) ? Pr2a F1a . 3_545 2.585(9) ? Pr2a F1b . . 2.629(7) ? Pr2a F1b . 2_445 2.629(7) ? Pr2a F1b . 3_545 2.629(9) ? Pr2a F2a . . 2.412(10) ? Pr2a F2a . 2_445 2.412(11) ? Pr2a F2a . 3_545 2.412(9) ? Na2a F1a . . 2.585(7) ? Na2a F1a . 2_445 2.585(6) ? Na2a F1a . 3_545 2.585(9) ? Na2a F1b . . 2.629(7) ? Na2a F1b . 2_445 2.629(7) ? Na2a F1b . 3_545 2.629(9) ? Na2a F2a . . 2.412(10) ? Na2a F2a . 2_445 2.412(11) ? Na2a F2a . 3_545 2.412(9) ? Pr2b Na2b . . 0 ? Pr2b F1a . 1_556 2.571(7) ? Pr2b F1a . 2_446 2.571(6) ? Pr2b F1a . 3_546 2.571(9) ? Pr2b F1b . . 2.401(7) ? Pr2b F1b . 2_445 2.401(7) ? Pr2b F1b . 3_545 2.401(9) ? Pr2b F2b . . 2.406(10) ? Pr2b F2b . 2_445 2.406(11) ? Pr2b F2b . 3_545 2.406(9) ? Na2b F1a . 1_556 2.571(7) ? Na2b F1a . 2_446 2.571(6) ? Na2b F1a . 3_546 2.571(9) ? Na2b F1b . . 2.401(7) ? Na2b F1b . 2_445 2.401(7) ? Na2b F1b . 3_545 2.401(9) ? Na2b F2b . . 2.406(10) ? Na2b F2b . 2_445 2.406(11) ? Na2b F2b . 3_545 2.406(9) ? Pr2c Na2c . . 0 ? Pr2c F1c . . 2.590(7) ? Pr2c F1c . 2_455 2.590(6) ? Pr2c F1c . 3_445 2.590(9) ? Pr2c F1d . . 2.610(7) ? Pr2c F1d . 2_455 2.610(7) ? Pr2c F1d . 3_445 2.610(9) ? Pr2c F2c . . 2.410(10) ? Pr2c F2c . 2_455 2.410(11) ? Pr2c F2c . 3_445 2.410(9) ? Na2c F1c . . 2.590(7) ? Na2c F1c . 2_455 2.590(6) ? Na2c F1c . 3_445 2.590(9) ? Na2c F1d . . 2.610(7) ? Na2c F1d . 2_455 2.610(7) ? Na2c F1d . 3_445 2.610(9) ? Na2c F2c . . 2.410(10) ? Na2c F2c . 2_455 2.410(11) ? Na2c F2c . 3_445 2.410(9) ? Pr2d Na2d . . 0 ? Pr2d F1c . 1_556 2.570(7) ? Pr2d F1c . 2_456 2.570(6) ? Pr2d F1c . 3_446 2.570(9) ? Pr2d F1d . . 2.406(7) ? Pr2d F1d . 2_455 2.406(6) ? Pr2d F1d . 3_445 2.406(9) ? Pr2d F2d . . 2.402(10) ? Pr2d F2d . 2_455 2.402(11) ? Pr2d F2d . 3_445 2.402(9) ? Na2d F1c . 1_556 2.570(7) ? Na2d F1c . 2_456 2.570(6) ? Na2d F1c . 3_446 2.570(9) ? Na2d F1d . . 2.406(7) ? Na2d F1d . 2_455 2.406(6) ? Na2d F1d . 3_445 2.406(9) ? Na2d F2d . . 2.402(10) ? Na2d F2d . 2_455 2.402(11) ? Na2d F2d . 3_445 2.402(9) ? Pr2e Na2e . . 0 ? Pr2e F1e . 1_665 2.452(6) ? Pr2e F1e . 2_455 2.452(6) ? Pr2e F1e . 3_545 2.452(9) ? Pr2e F1f . 1_665 2.542(6) ? Pr2e F1f . 2_455 2.542(5) ? Pr2e F1f . 3_545 2.542(8) ? Pr2e F2e . 1_565 2.430(10) ? Pr2e F2e . 2_445 2.430(11) ? Pr2e F2e . 3_655 2.430(9) ? Na2e F1e . 1_665 2.452(6) ? Na2e F1e . 2_455 2.452(6) ? Na2e F1e . 3_545 2.452(9) ? Na2e F1f . 1_665 2.542(6) ? Na2e F1f . 2_455 2.542(5) ? Na2e F1f . 3_545 2.542(8) ? Na2e F2e . 1_565 2.430(10) ? Na2e F2e . 2_445 2.430(11) ? Na2e F2e . 3_655 2.430(9) ? Pr2f Na2f . . 0.572(19) ? Pr2f Na2f . 2_555 0.57(2) ? Pr2f Na2f . 3_555 0.572(18) ? Pr2f F1e . 1_666 2.675(6) ? Pr2f F1e . 2_456 2.675(6) ? Pr2f F1e . 3_546 2.675(8) ? Pr2f F1f . 1_665 2.445(6) ? Pr2f F1f . 2_455 2.445(5) ? Pr2f F1f . 3_545 2.445(8) ? Pr2f F2f . 1_565 2.384(10) ? Pr2f F2f . 2_445 2.384(11) ? Pr2f F2f . 3_655 2.384(9) ? Na2f Na2f . 2_555 0.99(3) ? Na2f Na2f . 3_555 0.99(3) ? Na2f F1e . 1_666 2.922(14) ? Na2f F1e . 2_456 2.903(12) ? Na2f F1e . 3_546 2.342(12) ? Na2f F1f . 1_665 2.702(14) ? Na2f F1f . 2_455 2.682(12) ? Na2f F1f . 3_545 2.104(12) ? Na2f F2d . 1_655 3.20(2) ? Na2f F2f . 1_565 2.95(2) ? Na2f F2f . 2_445 2.103(16) ? Na2f F2f . 3_655 2.210(13) ? F1a F1a . 2_445 3.064(9) ? F1a F1a . 3_545 3.064(13) ? F1a F2a . . 2.922(11) ? F1a F2a . 3_545 2.788(14) ? F1a F2b . 1_554 2.899(11) ? F1a F2b . 3_544 2.811(14) ? F1a F2e . 2_445 2.790(11) ? F1a F2f . 2_444 2.832(11) ? F1b F1b . 2_445 2.899(8) ? F1b F1b . 3_545 2.899(12) ? F1b F2a . . 3.013(11) ? F1b F2a . 3_545 2.914(14) ? F1b F2b . . 2.773(11) ? F1b F2b . 3_545 2.711(14) ? F1b F2e . 2_445 2.910(11) ? F1b F2f . 2_445 2.774(11) ? F1c F1c . 2_455 3.070(8) ? F1c F1c . 3_445 3.070(12) ? F1c F2a . 2_455 2.767(11) ? F1c F2b . 2_454 2.758(12) ? F1c F2c . . 2.964(11) ? F1c F2c . 3_445 2.768(14) ? F1c F2d . 1_554 2.931(11) ? F1c F2d . 3_444 2.788(14) ? F1d F1d . 2_455 2.881(8) ? F1d F1d . 3_445 2.881(12) ? F1d F2a . 2_455 2.975(11) ? F1d F2b . 2_455 2.772(11) ? F1d F2c . . 2.976(11) ? F1d F2c . 3_445 2.904(14) ? F1d F2d . . 2.753(11) ? F1d F2d . 3_445 2.728(14) ? F1e F1e . 2_345 3.023(8) ? F1e F1e . 3_435 3.023(12) ? F1e F2c . 2_455 2.704(11) ? F1e F2d . 2_454 2.915(11) ? F1e F2e . 1_455 2.831(11) ? F1e F2e . 3_545 2.754(14) ? F1e F2f . 1_454 3.048(11) ? F1e F2f . 3_544 2.887(13) ? F1f F1f . 2_345 2.847(8) ? F1f F1f . 3_435 2.847(12) ? F1f F2c . 2_455 2.928(11) ? F1f F2d . 2_455 2.820(11) ? F1f F2e . 1_455 2.904(11) ? F1f F2e . 3_545 2.837(13) ? F1f F2f . 1_455 2.844(11) ? F1f F2f . 3_545 2.683(13) ? F2a F2c . 2_455 2.691(13) ? F2a F2e . 3_545 2.706(9) ? F2b F2d . 2_455 2.765(13) ? F2b F2f . 3_545 2.752(9) ? F2c F2e . 2_345 2.739(13) ? F2d F2f . 2_345 2.681(13) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 0 11 51.52 -5.22 25.12 < 0 0 12 23653.40 22461.40 1508.45 o 0 0 13 49.34 28.20 39.00 < 0 0 14 1420.05 1654.98 143.86 o 0 0 15 30.69 -17.28 85.92 < 0 0 16 6506.59 5917.46 296.14 o 1 -1 -2 19.86 -1.04 11.69 < 1 -1 -1 1451.61 1002.93 49.74 o 1 -1 0 27.97 -4.96 4.14 < 1 -1 2 19.11 -5.25 7.22 < 1 -1 9 457.17 386.01 53.25 o 1 -1 10 7.96 28.97 16.39 < 1 -1 11 84.69 155.85 36.11 o 1 -1 12 8.86 21.20 24.64 < 1 -1 13 183.53 126.44 41.85 o 1 -1 14 3.85 -9.10 24.38 < 1 -1 15 40.22 12.14 28.79 < 1 -1 16 3.94 -50.84 32.82 < 1 0 -1 1451.58 1323.60 95.31 o 1 0 0 27.97 -0.19 3.63 < 1 0 1 1455.84 992.52 69.07 o 1 0 2 19.10 2.26 6.14 < 1 0 3 528.53 417.83 37.80 o 1 0 4 30.71 -4.11 7.10 < 1 0 6 15.82 -2.89 13.28 < 1 0 7 188.32 267.39 42.78 o 1 0 8 17.80 -23.98 36.19 < 1 0 9 457.02 622.23 70.13 o 1 0 10 7.97 -15.54 20.05 < 1 0 11 84.77 168.80 51.25 o 1 0 12 8.86 -31.56 21.83 < 1 0 13 183.44 111.64 31.16 o 1 0 14 3.85 -14.80 25.72 < 1 0 15 40.26 -0.59 31.12 < 1 0 16 3.95 -38.30 32.23 < 1 1 -1 44.48 0.48 6.11 < 1 1 0 62276.60 67134.90 3151.03 o 1 1 1 42.92 1.81 5.11 < 1 1 2 112765.00 118843.00 7886.42 o 1 1 3 17.03 -1.52 6.07 < 1 1 4 57370.80 63732.60 2996.04 o 1 1 5 31.65 4.77 16.06 < 1 1 6 51714.70 51580.90 3431.43 o 1 1 7 3.32 -13.65 35.08 < 1 1 8 19990.60 20408.90 1367.63 o 1 1 9 14.92 -40.59 43.18 < 1 1 10 20679.00 20692.70 1387.50 o 1 1 11 0.83 -12.88 20.17 < 1 1 12 7218.63 7602.73 300.46 o 1 1 13 7.23 -9.14 21.42 < 1 1 14 7199.86 7316.98 253.79 o 1 1 15 0.42 -1.07 28.75 < 1 1 16 2749.63 2484.97 106.02 o 2 -3 -4 13.95 1.37 5.88 < 2 -3 -3 1071.56 987.83 71.29 o 2 -3 -2 6.25 0.22 4.85 < 2 -3 -1 1195.80 1072.10 79.63 o 2 -3 0 9.35 2.78 8.73 < 2 -3 1 1195.64 953.01 78.12 o 2 -3 2 6.85 17.43 13.76 < 2 -3 3 1066.87 925.67 51.77 o 2 -3 4 13.78 2.18 7.10 < 2 -3 5 440.33 493.26 36.01 o 2 -3 6 13.62 -4.37 10.92 < 2 -3 7 506.95 606.36 42.04 o 2 -3 8 14.11 15.47 15.24 < 2 -3 9 203.90 201.74 25.24 o 2 -3 10 8.76 11.80 13.65 < 2 -3 11 207.98 209.32 22.83 o 2 -3 12 7.02 -3.18 19.02 < 2 -3 13 84.17 69.12 23.98 < 2 -3 14 4.37 -24.49 23.13 < 2 -3 15 75.71 35.00 25.01 < 2 -3 16 3.31 62.68 69.56 < 2 -2 -3 878.96 498.53 41.09 o 2 -2 -2 11.49 -7.14 8.51 < 2 -2 -1 1339.16 1108.62 56.80 o 2 -2 0 21.37 2.00 6.25 < 2 -2 1 1333.31 997.14 79.43 o 2 -2 2 11.61 -13.21 13.80 < 2 -2 3 866.50 770.97 67.00 o 2 -2 4 16.59 9.21 9.10 < 2 -2 5 615.66 739.38 71.25 o 2 -2 6 14.90 18.94 16.39 < 2 -2 7 364.86 270.20 45.93 o 2 -2 8 9.13 1.11 36.22 < 2 -2 9 306.68 313.94 36.49 o 2 -2 10 9.45 -4.66 18.35 < 2 -2 11 152.46 212.80 25.57 o 2 -2 12 3.35 23.01 19.28 < 2 -2 13 124.33 121.88 27.46 o 2 -2 14 4.84 17.24 20.79 < 2 -2 15 57.31 59.17 26.83 < 2 -2 16 0.93 -32.49 56.13 < 2 -1 -3 15.76 7.66 8.47 < 2 -1 -2 113071.00 118859.00 7884.43 o 2 -1 -1 44.45 2.74 4.70 < 2 -1 0 62281.40 69023.40 3238.19 o 2 -1 1 42.95 -1.59 5.33 < 2 -1 3 17.05 1.89 7.62 < 2 -1 4 55862.80 55982.40 3721.39 o 2 -1 5 31.70 -4.77 7.73 < 2 -1 6 52108.80 49808.30 3311.70 o 2 -1 7 3.33 -10.40 14.39 < 2 -1 8 19896.60 20942.90 1398.45 o 2 -1 9 14.94 -1.96 30.93 < 2 -1 10 20714.60 19323.00 916.88 o 2 -1 11 0.83 -7.44 20.50 < 2 -1 12 7226.43 7656.87 373.23 o 2 -1 13 7.24 61.83 27.12 < 2 -1 14 7193.68 7951.41 272.42 o 2 -1 15 0.43 3.44 27.12 < 2 -1 16 2758.07 2539.35 92.40 o 2 0 -2 11.44 9.10 5.40 < 2 0 -1 1339.14 1037.80 80.14 o 2 0 0 21.37 2.74 8.40 < 2 0 1 1333.33 1032.67 53.61 o 2 0 2 11.65 5.88 4.48 < 2 0 3 867.29 682.12 37.06 o 2 0 4 16.56 9.69 6.51 < 2 0 5 615.68 696.53 39.83 o 2 0 6 14.97 1.00 13.80 < 2 0 7 365.49 301.44 36.97 o 2 0 8 9.12 -9.77 14.65 < 2 0 9 306.54 356.28 49.33 o 2 0 10 9.49 -6.44 15.80 < 2 0 11 152.82 237.11 31.82 o 2 0 12 3.35 7.36 19.35 < 2 0 13 124.21 145.97 35.52 o 2 0 14 4.86 35.60 30.93 < 2 0 15 57.48 65.64 32.34 < 2 0 16 0.93 48.69 33.89 < 2 1 -2 9.66 -26.68 13.25 < 2 1 -1 1126.16 1311.12 71.74 o 2 1 0 18.16 -7.88 7.96 < 2 1 1 1124.02 1276.05 67.80 o 2 1 2 9.73 1.67 7.29 < 2 1 3 1180.98 1367.06 71.39 o 2 1 4 13.41 -18.80 8.33 < 2 1 5 547.69 513.08 32.61 o 2 1 6 5.47 4.14 10.47 < 2 1 7 616.96 711.16 45.52 o 2 1 8 8.60 0.63 12.03 < 2 1 9 234.96 281.94 27.27 o 2 1 10 5.94 2.81 12.65 < 2 1 11 256.05 311.48 39.04 o 2 1 12 6.83 28.64 27.23 < 2 1 13 102.80 96.02 25.98 o 2 1 14 4.88 -28.60 21.94 < 2 1 15 98.06 70.08 38.00 < 2 1 16 4.52 -76.93 38.33 < 2 2 -3 28.98 -2.22 4.33 < 2 2 -2 191444.00 226067.00 14993.50 o 2 2 -1 15.81 4.29 8.66 < 2 2 0 42150.30 43828.50 2060.70 o 2 2 1 16.62 5.88 7.14 < 2 2 2 202635.00 188390.00 8855.48 o 2 2 3 28.14 -2.66 7.88 < 2 2 4 42675.40 45491.10 2140.49 o 2 2 5 20.89 5.55 10.14 < 2 2 6 75183.00 71836.20 3382.26 o 2 2 7 23.47 35.93 16.10 < 2 2 8 15733.70 15270.50 724.96 o 2 2 9 11.49 -2.78 14.02 < 2 2 10 25360.10 25757.00 1218.32 o 2 2 11 13.45 5.40 20.05 < 2 2 12 5680.48 5884.06 291.51 o 2 2 13 6.83 20.94 21.76 < 2 2 14 8035.36 8086.68 319.66 o 2 2 15 6.97 45.29 69.93 < 2 2 16 2203.82 2198.78 155.38 o 3 -5 -5 763.36 614.18 47.90 o 3 -5 -4 12.71 1.67 5.88 < 3 -5 -3 737.55 760.10 43.31 o 3 -5 -2 15.52 -0.93 6.96 < 3 -5 -1 1302.87 1182.32 92.93 o 3 -5 0 5.70 -0.15 8.81 < 3 -5 1 1308.25 1158.19 66.16 o 3 -5 2 15.48 1.70 10.18 < 3 -5 3 733.91 609.26 42.57 o 3 -5 4 12.35 -19.09 11.21 < 3 -5 5 775.68 744.40 52.44 o 3 -5 6 18.24 3.03 11.77 < 3 -5 7 304.03 297.31 31.57 o 3 -5 8 10.18 -10.47 13.10 < 3 -5 9 385.95 333.70 32.64 o 3 -5 10 21.79 -2.33 15.02 < 3 -5 11 125.87 112.26 28.49 o 3 -5 12 8.33 -13.21 59.68 < 3 -5 13 152.57 97.65 46.07 < 3 -5 14 14.83 -10.40 57.83 < 3 -5 15 49.56 70.71 61.76 < 3 -4 -5 489.61 436.26 40.01 o 3 -4 -4 4.65 6.99 18.39 < 3 -4 -3 1052.32 1402.95 75.38 o 3 -4 -2 11.67 -1.15 7.36 < 3 -4 -1 919.93 940.15 53.75 o 3 -4 0 1.78 10.40 11.36 < 3 -4 1 917.05 679.67 59.97 o 3 -4 2 12.13 -0.70 8.47 < 3 -4 3 1061.99 1190.02 71.81 o 3 -4 4 4.82 13.28 9.32 < 3 -4 5 486.41 434.89 39.30 o 3 -4 6 4.04 4.33 11.66 < 3 -4 7 617.13 521.17 38.64 o 3 -4 8 8.26 1.70 16.58 < 3 -4 9 193.48 175.02 25.61 o 3 -4 10 2.90 -4.26 19.57 < 3 -4 11 280.67 179.40 51.99 o 3 -4 12 7.75 17.61 47.10 < 3 -4 13 78.01 121.77 58.31 < 3 -4 14 3.04 -33.78 45.70 < 3 -4 15 117.06 150.27 102.39 < 3 -4 16 5.91 253.87 105.23 < 3 -3 -5 84.78 -1.30 8.77 < 3 -3 -4 79822.10 77030.20 5116.32 o 3 -3 -3 78.26 -1.44 5.66 < 3 -3 -2 31512.40 33218.60 1567.06 o 3 -3 -1 34.83 21.87 13.84 < 3 -3 0 166826.00 193787.00 9089.47 o 3 -3 1 34.04 8.99 13.99 < 3 -3 2 31707.20 35283.50 2351.80 o 3 -3 3 79.42 15.54 15.28 < 3 -3 4 77636.90 82448.30 5478.23 o 3 -3 5 84.24 -22.53 17.28 < 3 -3 6 15722.50 15452.40 1041.44 o 3 -3 7 71.88 2.59 21.39 < 3 -3 8 38422.10 38349.20 1476.18 o 3 -3 9 50.98 1.22 14.25 < 3 -3 10 5891.94 5430.60 214.63 o 3 -3 11 40.24 3.74 13.47 < 3 -3 12 14884.80 15913.00 1077.38 o 3 -3 13 30.00 33.08 42.22 < 3 -3 14 2663.79 3192.96 251.90 o 3 -3 15 22.08 2.96 54.39 < 3 -3 16 5000.75 4250.53 232.28 o 3 -2 -4 14.38 3.52 13.14 < 3 -2 -3 1178.48 1489.59 76.71 o 3 -2 -2 9.69 13.32 10.03 < 3 -2 -1 1125.60 845.66 47.15 o 3 -2 0 18.16 12.36 11.54 < 3 -2 1 1124.57 1011.02 55.89 o 3 -2 2 9.70 -7.92 7.47 < 3 -2 3 1180.05 923.49 80.91 o 3 -2 4 13.38 -4.59 16.69 < 3 -2 5 548.14 558.14 61.07 o 3 -2 6 5.45 23.83 34.37 < 3 -2 7 615.60 623.98 48.16 o 3 -2 8 8.57 0.63 16.21 < 3 -2 9 235.28 299.32 32.82 o 3 -2 10 5.92 13.88 20.61 < 3 -2 11 255.40 239.97 28.42 o 3 -2 12 6.80 -5.51 16.65 < 3 -2 13 103.02 120.62 19.50 o 3 -2 14 4.87 4.37 29.19 < 3 -2 15 97.78 41.33 36.63 < 3 -2 16 4.50 103.83 49.80 < 3 -1 -4 14.02 -6.40 12.40 < 3 -1 -3 1071.66 888.04 49.33 o 3 -1 -2 6.23 -8.81 6.59 < 3 -1 -1 1195.24 1182.00 63.96 o 3 -1 0 9.35 1.04 6.07 < 3 -1 1 1196.19 1535.51 111.23 o 3 -1 2 6.87 -2.37 4.22 < 3 -1 3 1066.73 878.42 46.03 o 3 -1 4 13.72 -6.44 4.96 < 3 -1 5 440.85 552.62 35.16 o 3 -1 6 13.67 7.40 7.29 < 3 -1 7 506.67 587.34 52.33 o 3 -1 8 14.05 6.96 15.32 < 3 -1 9 204.05 142.05 29.64 o 3 -1 10 8.78 6.14 13.65 < 3 -1 11 207.96 276.04 30.71 o 3 -1 12 6.99 19.09 20.76 < 3 -1 13 84.21 151.78 31.71 o 3 -1 14 4.37 -10.25 19.65 < 3 -1 15 75.74 9.07 38.37 < 3 -1 16 3.29 3.48 49.84 < 3 0 -3 78.36 5.85 13.54 < 3 0 -2 31410.40 33267.50 1565.72 o 3 0 -1 34.85 8.29 12.47 < 3 0 0 166776.00 130060.00 8632.99 o 3 0 1 34.03 2.29 6.18 < 3 0 2 31716.70 33215.20 1561.56 o 3 0 3 79.31 1.26 12.17 < 3 0 4 78441.50 82352.80 3867.15 o 3 0 5 84.30 -10.43 11.36 < 3 0 6 15829.30 16189.20 764.14 o 3 0 7 71.79 12.03 12.99 < 3 0 8 38511.00 40500.20 1905.73 o 3 0 9 51.00 -0.15 10.06 < 3 0 10 5885.51 5865.60 283.64 o 3 0 11 40.19 -0.33 16.65 < 3 0 12 14887.20 15840.80 753.32 o 3 0 13 30.00 -25.12 26.42 < 3 0 14 2659.66 2747.02 120.11 o 3 0 15 22.06 -11.47 31.45 < 3 0 16 4999.76 4111.55 180.60 o 3 1 -3 1271.48 1108.00 95.65 o 3 1 -2 10.18 -16.10 20.83 < 3 1 -1 939.11 1102.69 64.34 o 3 1 0 10.00 -1.11 8.14 < 3 1 1 946.86 1034.17 61.20 o 3 1 2 10.39 11.32 7.36 < 3 1 3 1277.49 927.07 50.26 o 3 1 4 23.05 2.85 7.07 < 3 1 5 516.19 498.93 34.60 o 3 1 6 21.19 -4.63 14.02 < 3 1 7 688.29 752.56 48.96 o 3 1 8 24.43 -18.91 11.73 < 3 1 9 190.32 203.78 25.90 o 3 1 10 15.00 2.66 16.32 < 3 1 11 289.76 328.18 35.86 o 3 1 12 19.23 12.65 21.83 < 3 1 13 77.47 77.56 26.53 < 3 1 14 9.37 -28.97 22.46 < 3 1 15 122.22 62.64 36.15 < 3 1 16 10.86 78.81 47.32 < 3 2 -2 9.54 -4.11 16.69 < 3 2 -1 1499.32 1691.51 91.53 o 3 2 0 5.60 -6.29 9.03 < 3 2 1 1493.26 1310.08 72.06 o 3 2 2 10.26 -6.29 10.18 < 3 2 3 1015.87 1016.88 58.44 o 3 2 4 5.76 -9.77 9.10 < 3 2 5 616.74 517.21 38.79 o 3 2 6 23.21 9.62 11.84 < 3 2 7 421.28 426.78 35.34 o 3 2 8 15.44 -1.89 15.13 < 3 2 9 304.77 348.39 35.75 o 3 2 10 19.55 9.88 17.28 < 3 2 11 167.28 170.21 33.67 o 3 2 12 13.48 22.53 24.57 < 3 2 13 114.73 98.94 32.15 o 3 2 14 15.11 2.55 20.57 < 3 2 15 60.16 250.21 82.40 o 3 3 -5 50.66 1.52 6.51 < 3 3 -4 116492.00 106794.00 7094.82 o 3 3 -3 76.72 3.74 16.13 < 3 3 -2 9202.69 9264.42 625.94 o 3 3 -1 79.31 47.59 26.79 < 3 3 0 238374.00 233510.00 10968.40 o 3 3 1 82.03 -0.67 12.36 < 3 3 2 9547.55 8029.14 385.14 o 3 3 3 74.55 9.10 15.32 < 3 3 4 116704.00 105002.00 4957.36 o 3 3 5 52.55 -9.88 14.47 < 3 3 6 8265.42 8539.67 409.60 o 3 3 7 38.37 4.48 14.50 < 3 3 8 46893.30 48414.30 2280.33 o 3 3 9 28.02 13.62 18.80 < 3 3 10 3166.79 3639.96 182.13 o 3 3 11 20.14 44.59 22.46 < 3 3 12 15733.40 18238.30 1229.64 o 3 3 13 15.44 10.29 40.48 < 3 3 14 1611.69 2106.49 174.29 o 3 3 15 10.74 86.55 91.25 < 4 -7 -6 57.64 -3.15 8.33 < 4 -7 -5 898.47 1012.19 74.59 o 4 -7 -4 20.09 6.18 9.51 < 4 -7 -3 531.74 536.47 41.60 o 4 -7 -2 24.89 2.81 16.13 < 4 -7 -1 764.78 917.86 86.18 o 4 -7 0 4.85 7.22 14.43 < 4 -7 1 771.39 612.08 45.27 o 4 -7 2 24.14 -7.66 13.54 < 4 -7 3 538.41 427.79 38.68 o 4 -7 4 22.48 14.39 15.02 < 4 -7 5 911.98 878.05 58.18 o 4 -7 6 56.73 4.40 18.61 < 4 -7 7 207.99 246.12 37.00 o 4 -7 8 37.39 -15.61 15.87 < 4 -7 9 374.89 303.32 33.60 o 4 -7 10 35.67 -23.27 40.74 < 4 -7 11 85.15 95.72 52.91 < 4 -7 12 28.36 -29.16 56.06 < 4 -7 13 149.08 231.26 87.55 < 4 -7 14 21.02 -19.50 58.17 < 4 -7 15 49.94 36.04 79.00 < 4 -6 -6 24.68 -29.27 17.46 < 4 -6 -5 882.53 1133.78 86.05 o 4 -6 -4 14.24 8.14 10.21 < 4 -6 -3 463.13 515.37 35.24 o 4 -6 -2 13.99 16.39 14.84 < 4 -6 -1 877.70 1188.83 101.07 o 4 -6 0 1.68 21.16 14.84 < 4 -6 1 878.54 1136.75 97.89 o 4 -6 2 13.16 -4.59 10.95 < 4 -6 3 472.48 470.28 42.59 o 4 -6 4 14.83 -5.14 15.80 < 4 -6 5 888.73 885.70 56.16 o 4 -6 6 24.04 -20.65 13.14 < 4 -6 7 219.92 206.66 29.56 o 4 -6 8 26.71 -13.06 25.24 < 4 -6 9 399.82 510.06 69.91 o 4 -6 10 21.02 -26.68 31.82 < 4 -6 11 91.57 28.94 66.82 < 4 -6 12 18.14 9.03 40.92 < 4 -6 13 167.75 238.07 80.44 < 4 -6 14 13.18 37.41 66.86 < 4 -6 15 47.00 -7.03 85.77 < 4 -5 -6 62854.80 55697.40 3702.05 o 4 -5 -5 26.97 -13.80 24.38 < 4 -5 -4 50555.90 55021.30 2585.72 o 4 -5 -3 31.83 -8.92 8.88 < 4 -5 -2 146722.00 153341.00 7194.55 o 4 -5 -1 29.57 16.76 14.28 < 4 -5 0 55438.40 48659.40 3235.46 o 4 -5 1 30.63 -24.87 13.51 < 4 -5 2 141882.00 157016.00 10420.70 o 4 -5 3 30.35 16.98 19.46 < 4 -5 4 51714.30 54724.90 3643.42 o 4 -5 5 27.31 -0.30 12.51 < 4 -5 6 62699.30 65445.40 4354.61 o 4 -5 7 21.59 -12.03 35.74 < 4 -5 8 17912.50 18619.00 1253.85 o 4 -5 9 15.17 -4.11 25.49 < 4 -5 10 22845.90 23959.20 1609.11 o 4 -5 11 12.28 39.52 49.88 < 4 -5 12 6200.57 6762.88 477.86 o 4 -5 13 8.55 -3.00 47.47 < 4 -5 14 7612.13 9169.66 636.88 o 4 -5 15 6.69 -80.18 67.01 < 4 -4 -6 16.68 3.59 13.95 < 4 -4 -5 428.00 538.06 52.60 o 4 -4 -4 26.11 -2.66 8.07 < 4 -4 -3 1116.77 882.83 49.61 o 4 -4 -2 8.19 6.51 8.81 < 4 -4 -1 638.42 578.90 36.47 o 4 -4 0 5.92 -11.47 9.03 < 4 -4 1 636.32 740.75 47.23 o 4 -4 2 8.00 10.10 17.54 < 4 -4 3 1126.22 1169.73 101.35 o 4 -4 4 25.53 11.91 24.31 < 4 -4 5 420.02 419.97 58.99 o 4 -4 6 16.18 27.94 24.94 < 4 -4 7 691.96 901.75 98.78 o 4 -4 8 18.45 -6.51 54.10 < 4 -4 9 189.14 191.19 51.47 o 4 -4 10 10.78 1.89 32.67 < 4 -4 11 315.02 303.21 63.46 o 4 -4 12 15.19 49.73 56.91 < 4 -4 13 86.81 262.45 93.17 < 4 -4 14 5.66 106.90 65.71 < 4 -4 15 132.88 175.80 49.55 o 4 -4 16 9.22 232.52 109.12 < 4 -3 -5 518.28 648.40 63.10 o 4 -3 -4 24.27 -3.92 7.99 < 4 -3 -3 1271.01 1739.30 91.34 o 4 -3 -2 10.20 4.92 7.10 < 4 -3 -1 940.04 834.04 49.61 o 4 -3 0 10.00 3.37 11.88 < 4 -3 1 945.89 860.04 52.12 o 4 -3 2 10.37 -9.66 13.43 < 4 -3 3 1278.05 1376.11 76.79 o 4 -3 4 23.14 -26.83 24.79 < 4 -3 5 516.15 483.32 61.55 o 4 -3 6 21.22 26.20 22.42 < 4 -3 7 688.20 857.91 87.20 o 4 -3 8 24.53 5.14 23.79 < 4 -3 9 190.67 215.76 53.62 o 4 -3 10 15.03 37.52 42.48 < 4 -3 11 289.40 332.96 67.35 o 4 -3 12 19.31 -30.67 40.66 < 4 -3 13 77.73 89.62 38.56 < 4 -3 14 9.39 58.91 53.54 < 4 -3 15 121.94 63.72 44.74 < 4 -3 16 10.90 21.83 97.83 < 4 -2 -5 20.83 -3.22 14.95 < 4 -2 -4 42217.70 43474.30 2046.88 o 4 -2 -3 29.00 10.80 10.25 < 4 -2 -2 202563.00 213470.00 10022.00 o 4 -2 -1 15.79 18.20 13.28 < 4 -2 0 42149.80 43884.80 2066.37 o 4 -2 1 16.64 -22.13 11.69 < 4 -2 2 191165.00 199955.00 9385.62 o 4 -2 3 28.13 33.78 20.94 < 4 -2 4 43225.10 43551.80 2055.71 o 4 -2 5 20.89 -4.40 11.25 < 4 -2 6 74606.40 73487.70 3459.77 o 4 -2 7 23.47 23.35 24.98 < 4 -2 8 15769.20 16568.90 789.74 o 4 -2 9 11.49 10.73 24.68 < 4 -2 10 25312.10 24588.30 1165.31 o 4 -2 11 13.44 61.76 39.30 < 4 -2 12 5671.29 6244.97 309.98 o 4 -2 13 6.83 -4.48 29.79 < 4 -2 14 8041.35 8395.95 412.77 o 4 -2 15 6.96 -97.83 47.73 < 4 -2 16 2196.51 2491.09 238.48 o 4 -1 -5 490.58 465.53 57.32 o 4 -1 -4 4.63 3.03 11.43 < 4 -1 -3 1051.87 919.13 53.81 o 4 -1 -2 11.64 -8.18 8.33 < 4 -1 -1 920.93 950.93 56.24 o 4 -1 0 1.78 -18.02 9.03 < 4 -1 1 916.04 1219.48 95.36 o 4 -1 2 12.16 -5.03 9.77 < 4 -1 3 1062.40 855.06 48.39 o 4 -1 4 4.83 4.00 7.88 < 4 -1 5 485.49 458.92 29.06 o 4 -1 6 4.05 9.99 14.21 < 4 -1 7 618.02 618.41 37.38 o 4 -1 8 8.26 0.26 7.99 < 4 -1 9 193.03 197.86 22.54 o 4 -1 10 2.90 -6.11 13.06 < 4 -1 11 281.12 356.04 35.97 o 4 -1 12 7.74 -31.27 20.68 < 4 -1 13 77.77 86.36 47.14 < 4 -1 14 3.04 52.76 41.37 < 4 -1 15 117.30 102.68 41.85 < 4 -1 16 5.90 83.88 72.45 < 4 0 -4 26.22 0.63 23.09 < 4 0 -3 1116.49 1098.04 63.62 o 4 0 -2 8.17 -21.87 18.98 < 4 0 -1 638.74 930.25 89.22 o 4 0 0 5.92 8.84 32.56 < 4 0 1 636.04 727.57 45.76 o 4 0 2 8.02 3.03 11.25 < 4 0 3 1126.45 1295.57 68.94 o 4 0 4 25.43 -27.86 15.61 < 4 0 5 419.21 379.22 27.39 o 4 0 6 16.16 5.07 8.47 < 4 0 7 692.27 561.94 35.90 o 4 0 8 18.37 -2.22 8.88 < 4 0 9 188.51 194.94 24.72 o 4 0 10 10.76 -12.47 20.46 < 4 0 11 315.34 301.32 31.90 o 4 0 12 15.12 -37.33 22.16 < 4 0 13 86.46 85.14 27.27 o 4 0 14 5.64 24.61 23.83 < 4 0 15 133.10 82.48 46.10 < 4 0 16 9.18 239.25 112.85 < 4 1 -3 62.02 11.29 18.95 < 4 1 -2 113920.00 109142.00 7248.48 o 4 1 -1 81.56 4.81 21.02 < 4 1 0 9130.03 9917.34 473.07 o 4 1 1 82.64 -4.37 10.14 < 4 1 2 109387.00 115248.00 5420.81 o 4 1 3 61.55 1.30 12.47 < 4 1 4 12869.40 12289.20 582.19 o 4 1 5 71.72 11.80 8.73 < 4 1 6 51733.00 44001.60 2069.49 o 4 1 7 44.76 15.87 8.84 < 4 1 8 8904.15 7928.61 378.53 o 4 1 9 34.25 -17.80 11.10 < 4 1 10 20535.20 20508.40 972.97 o 4 1 11 29.96 26.53 25.68 < 4 1 12 4256.59 3714.95 183.99 o 4 1 13 17.06 -7.73 20.20 < 4 1 14 7195.06 6625.85 319.93 o 4 1 15 17.58 43.51 29.53 < 4 2 -4 9.72 -0.74 5.00 < 4 2 -3 828.55 664.90 76.79 o 4 2 -2 17.67 0.33 17.17 < 4 2 -1 1213.36 1326.57 77.73 o 4 2 0 7.33 -7.99 18.61 < 4 2 1 1220.07 1089.40 64.17 o 4 2 2 17.21 21.72 10.47 < 4 2 3 819.47 787.60 50.34 o 4 2 4 11.14 13.95 12.03 < 4 2 5 627.58 546.71 40.39 o 4 2 6 17.16 -11.91 22.27 < 4 2 7 424.33 374.70 30.27 o 4 2 8 10.62 8.55 12.25 < 4 2 9 266.32 253.30 32.23 o 4 2 10 18.10 -11.29 19.57 < 4 2 11 186.84 191.75 35.82 o 4 2 12 7.95 16.80 19.91 < 4 2 13 101.33 64.27 23.76 < 4 2 14 10.31 5.40 25.09 < 4 2 15 77.26 14.58 48.40 < 4 3 -5 714.05 639.70 47.97 o 4 3 -4 25.93 22.16 13.73 < 4 3 -3 623.02 602.97 63.36 o 4 3 -2 9.30 -5.18 23.64 < 4 3 -1 783.81 856.28 61.57 o 4 3 0 18.36 -2.04 20.72 < 4 3 1 791.68 815.69 56.85 o 4 3 2 8.07 1.70 17.35 < 4 3 3 625.48 655.43 49.08 o 4 3 4 27.81 10.92 17.83 < 4 3 5 724.20 823.21 55.14 o 4 3 6 40.20 1.78 19.28 < 4 3 7 292.71 261.74 31.53 o 4 3 8 32.05 -12.84 12.99 < 4 3 9 285.40 262.43 29.97 o 4 3 10 35.79 -4.48 15.06 < 4 3 11 125.83 104.35 25.94 o 4 3 12 25.17 -26.42 24.94 < 4 3 13 108.99 84.81 41.92 < 4 3 14 21.18 10.36 45.25 < 4 3 15 61.21 146.67 76.30 < 4 4 -6 22610.80 22979.10 1532.98 o 4 4 -5 28.27 0.81 8.70 < 4 4 -4 36280.30 36038.30 2396.12 o 4 4 -3 48.56 -6.62 19.09 < 4 4 -2 33451.10 36257.20 2416.18 o 4 4 -1 23.25 5.92 15.91 < 4 4 0 37173.50 35858.20 1692.20 o 4 4 1 22.20 13.02 16.10 < 4 4 2 32883.20 31618.90 1492.80 o 4 4 3 49.50 -16.58 14.06 < 4 4 4 36839.00 33129.60 1562.91 o 4 4 5 27.74 10.43 15.87 < 4 4 6 22182.10 20329.90 963.90 o 4 4 7 41.54 -11.36 12.69 < 4 4 8 15902.40 14531.20 693.88 o 4 4 9 27.89 3.89 19.46 < 4 4 10 11192.60 10273.40 492.51 o 4 4 11 24.21 5.22 17.39 < 4 4 12 6270.60 5404.86 376.10 o 4 4 13 21.49 56.72 61.13 < 4 4 14 4609.67 3830.21 275.01 o 4 4 15 13.71 42.59 73.78 < 5 -9 -6 29.26 9.58 20.50 < 5 -9 -5 585.82 549.55 47.14 o 5 -9 -4 20.01 11.40 13.14 < 5 -9 -3 637.10 793.96 56.93 o 5 -9 -2 38.57 -12.91 20.68 < 5 -9 -1 949.55 907.78 86.26 o 5 -9 0 13.75 -51.28 26.94 < 5 -9 1 949.37 820.83 57.98 o 5 -9 2 38.73 -9.21 16.47 < 5 -9 3 632.82 547.18 48.18 o 5 -9 4 20.44 18.61 21.68 < 5 -9 5 582.86 558.33 47.26 o 5 -9 6 29.10 2.26 24.27 < 5 -9 7 349.93 248.66 32.08 o 5 -9 8 30.59 -22.24 13.10 < 5 -9 9 296.64 181.84 28.35 o 5 -9 10 28.44 -9.03 20.83 < 5 -9 11 148.41 98.76 50.47 < 5 -9 12 24.00 -52.47 45.14 < 5 -9 13 131.43 96.06 51.40 < 5 -9 14 21.19 47.36 53.24 < 5 -9 15 54.19 144.23 69.86 < 5 -8 -7 169.56 131.02 20.39 o 5 -8 -6 13.21 -6.07 11.36 < 5 -8 -5 781.70 786.82 62.26 o 5 -8 -4 10.69 17.24 18.80 < 5 -8 -3 518.13 544.94 39.78 o 5 -8 -2 19.16 6.66 10.73 < 5 -8 -1 1096.69 1326.43 110.00 o 5 -8 0 8.06 -1.33 18.57 < 5 -8 1 1086.31 1025.33 93.95 o 5 -8 2 20.03 -4.33 12.80 < 5 -8 3 503.38 367.54 35.42 o 5 -8 4 11.01 33.23 21.65 < 5 -8 5 780.49 545.18 41.86 o 5 -8 6 13.88 37.00 26.12 < 5 -8 7 161.38 83.92 21.20 o 5 -8 8 14.21 16.13 25.23 < 5 -8 9 527.15 579.20 92.03 o 5 -8 10 11.46 52.50 68.75 < 5 -8 11 70.90 74.30 57.46 < 5 -8 12 9.51 47.51 63.64 < 5 -8 13 244.35 142.72 69.75 < 5 -8 14 11.19 58.68 99.68 < 5 -8 15 29.75 26.34 74.85 < 5 -7 -7 41.54 -12.43 10.62 < 5 -7 -6 27681.70 26504.20 1766.76 o 5 -7 -5 30.94 -13.06 10.62 < 5 -7 -4 39035.40 39034.40 1848.03 o 5 -7 -3 39.81 -7.66 22.72 < 5 -7 -2 43579.40 45013.10 2118.97 o 5 -7 -1 10.32 31.12 18.80 < 5 -7 0 39050.30 37244.10 2481.23 o 5 -7 1 9.57 -12.40 32.60 < 5 -7 2 43543.00 37319.10 2486.88 o 5 -7 3 40.27 1.70 23.42 < 5 -7 4 38905.30 41907.40 2795.72 o 5 -7 5 30.82 19.09 35.11 < 5 -7 6 27292.00 26845.20 1270.32 o 5 -7 7 41.39 -18.39 25.24 < 5 -7 8 16058.50 17755.50 1198.57 o 5 -7 9 33.02 195.85 73.67 < 5 -7 10 13296.90 15467.40 1050.06 o 5 -7 11 25.30 -12.47 57.69 < 5 -7 12 6204.37 6757.85 475.58 o 5 -7 13 24.11 55.06 80.51 < 5 -7 14 5323.84 5737.00 412.22 o 5 -7 15 15.06 114.04 95.87 < 5 -6 -7 252.87 195.24 32.68 o 5 -6 -6 17.18 -4.11 16.28 < 5 -6 -5 590.41 706.73 45.48 o 5 -6 -4 15.56 -15.28 16.10 < 5 -6 -3 505.73 501.28 35.72 o 5 -6 -2 10.89 7.99 18.17 < 5 -6 -1 972.78 1034.87 59.77 o 5 -6 0 18.15 -3.18 10.95 < 5 -6 1 962.70 688.80 66.59 o 5 -6 2 11.37 15.84 21.20 < 5 -6 3 503.05 519.40 69.57 o 5 -6 4 15.29 -18.61 23.87 < 5 -6 5 586.60 626.62 79.29 o 5 -6 6 17.30 20.05 34.12 < 5 -6 7 253.69 199.52 57.06 o 5 -6 8 22.73 -5.25 34.93 < 5 -6 9 325.92 382.97 64.20 o 5 -6 10 18.86 -43.14 66.86 < 5 -6 11 113.68 65.46 39.78 < 5 -6 12 16.73 -11.25 56.65 < 5 -6 13 136.54 115.82 56.50 < 5 -6 14 15.07 -37.52 59.83 < 5 -6 15 45.96 98.42 75.89 < 5 -5 -7 325.78 386.41 47.89 o 5 -5 -6 24.80 19.02 18.13 < 5 -5 -5 439.12 478.49 36.08 o 5 -5 -4 22.45 -9.55 13.54 < 5 -5 -3 719.05 719.09 44.53 o 5 -5 -2 22.40 11.51 10.40 < 5 -5 -1 963.97 894.38 54.50 o 5 -5 0 5.46 5.55 14.10 < 5 -5 1 957.79 1064.65 65.90 o 5 -5 2 23.16 -22.57 20.72 < 5 -5 3 710.95 922.43 92.32 o 5 -5 4 21.74 19.31 22.35 < 5 -5 5 439.16 430.62 66.06 o 5 -5 6 26.07 13.91 25.60 < 5 -5 7 328.96 479.55 70.94 o 5 -5 8 24.33 -16.87 25.57 < 5 -5 9 268.66 266.46 58.84 o 5 -5 10 21.68 -42.22 41.29 < 5 -5 11 140.84 159.48 77.78 < 5 -5 12 14.52 25.42 44.55 < 5 -5 13 115.89 128.10 72.08 < 5 -5 14 14.22 -44.29 61.68 < 5 -5 15 51.29 45.62 49.84 < 5 -4 -6 51685.00 46055.60 3066.51 o 5 -4 -5 71.04 4.40 15.99 < 5 -4 -4 12913.30 14307.30 678.32 o 5 -4 -3 61.97 -5.55 8.88 < 5 -4 -2 109502.00 96267.40 4522.67 o 5 -4 -1 81.52 2.52 9.92 < 5 -4 0 9123.21 10057.40 481.13 o 5 -4 1 82.68 -4.88 10.58 < 5 -4 2 113608.00 126057.00 5918.54 o 5 -4 3 61.61 11.73 11.84 < 5 -4 4 12828.50 14428.80 974.13 o 5 -4 5 71.75 1.33 22.76 < 5 -4 6 52211.90 52947.50 3528.17 o 5 -4 7 44.79 -51.77 56.28 < 5 -4 8 8901.74 8583.08 592.57 o 5 -4 9 34.25 -52.10 29.31 < 5 -4 10 20575.20 20783.30 1400.65 o 5 -4 11 29.97 25.42 38.11 < 5 -4 12 4263.50 5043.70 254.95 o 5 -4 13 17.06 53.87 53.32 < 5 -4 14 7187.80 7766.31 385.15 o 5 -4 15 17.58 -20.17 44.55 < 5 -3 -6 22.45 -1.07 21.42 < 5 -3 -5 614.52 769.64 47.89 o 5 -3 -4 6.45 -19.61 12.62 < 5 -3 -3 1019.24 1120.17 67.14 o 5 -3 -2 9.52 -0.48 11.32 < 5 -3 -1 1500.42 1265.89 70.65 o 5 -3 0 5.59 -10.73 9.55 < 5 -3 1 1492.14 1449.11 79.79 o 5 -3 2 10.28 -8.95 10.47 < 5 -3 3 1016.79 1135.15 67.44 o 5 -3 4 5.75 6.44 16.50 < 5 -3 5 616.16 698.84 49.52 o 5 -3 6 23.20 1.81 14.62 < 5 -3 7 421.73 500.71 42.78 o 5 -3 8 15.44 15.61 16.10 < 5 -3 9 304.71 362.68 39.48 o 5 -3 10 19.52 39.96 27.27 < 5 -3 11 167.34 235.82 39.11 o 5 -3 12 13.47 -27.79 34.93 < 5 -3 13 114.81 125.58 35.67 o 5 -3 14 15.09 51.47 44.59 < 5 -3 15 60.13 -12.77 58.65 < 5 -2 -6 17.83 10.40 19.65 < 5 -2 -5 764.15 873.44 54.59 o 5 -2 -4 12.76 10.66 12.99 < 5 -2 -3 737.38 756.77 48.57 o 5 -2 -2 15.53 -18.46 21.05 < 5 -2 -1 1304.05 1363.97 77.13 o 5 -2 0 5.70 9.25 9.47 < 5 -2 1 1307.05 1274.51 72.33 o 5 -2 2 15.48 14.06 10.62 < 5 -2 3 734.09 766.19 50.71 o 5 -2 4 12.30 -11.51 13.39 < 5 -2 5 774.91 996.90 82.54 o 5 -2 6 18.22 -4.11 13.73 < 5 -2 7 304.38 357.94 37.82 o 5 -2 8 10.15 -23.61 21.09 < 5 -2 9 385.59 436.07 42.70 o 5 -2 10 21.76 1.59 31.12 < 5 -2 11 125.97 180.87 37.26 o 5 -2 12 8.31 -8.58 25.68 < 5 -2 13 152.41 147.49 41.22 o 5 -2 14 14.82 -2.89 34.56 < 5 -2 15 49.59 159.03 68.05 < 5 -1 -5 26.93 30.67 11.47 < 5 -1 -4 51277.40 45443.90 2139.59 o 5 -1 -3 31.73 13.14 13.47 < 5 -1 -2 141805.00 146199.00 6863.42 o 5 -1 -1 29.50 6.70 10.62 < 5 -1 0 55482.70 60312.20 2848.82 o 5 -1 1 30.70 55.39 27.34 < 5 -1 2 146865.00 141161.00 9362.71 o 5 -1 3 30.45 8.81 9.18 < 5 -1 4 51067.00 51111.90 2402.65 o 5 -1 5 27.36 -1.30 7.73 < 5 -1 6 62981.30 60044.80 2822.39 o 5 -1 7 21.67 15.76 11.21 < 5 -1 8 17861.40 16436.10 777.00 o 5 -1 9 15.19 5.29 10.43 < 5 -1 10 22876.50 20938.90 989.20 o 5 -1 11 12.33 42.07 17.91 < 5 -1 12 6210.57 6136.25 304.05 o 5 -1 13 8.56 -22.76 33.01 < 5 -1 14 7606.88 7839.29 385.74 o 5 -1 15 6.71 -4.77 62.64 < 5 0 -5 439.38 493.79 67.95 o 5 0 -4 22.53 4.26 13.14 < 5 0 -3 718.90 611.79 46.31 o 5 0 -2 22.47 -9.66 11.29 < 5 0 -1 963.82 925.22 87.68 o 5 0 0 5.46 -7.55 17.76 < 5 0 1 957.98 1017.24 59.68 o 5 0 2 23.08 -4.11 8.62 < 5 0 3 711.08 607.52 38.09 o 5 0 4 21.66 -1.18 8.47 < 5 0 5 438.93 364.35 29.50 o 5 0 6 25.98 -30.93 19.65 < 5 0 7 328.88 330.86 26.24 o 5 0 8 24.24 -1.89 16.39 < 5 0 9 268.39 289.86 26.61 o 5 0 10 21.62 6.36 12.06 < 5 0 11 140.84 154.04 26.16 o 5 0 12 14.49 15.21 19.43 < 5 0 13 115.72 62.90 23.42 < 5 0 14 14.19 -21.83 52.10 < 5 0 15 51.31 72.67 54.69 < 5 1 -4 37.07 -1.74 12.32 < 5 1 -3 838.19 947.51 101.55 o 5 1 -2 14.19 6.92 21.24 < 5 1 -1 963.78 867.52 86.31 o 5 1 0 23.93 0.63 20.65 < 5 1 1 965.50 853.53 54.41 o 5 1 2 13.91 9.51 10.43 < 5 1 3 836.25 827.24 52.97 o 5 1 4 37.00 -10.03 10.29 < 5 1 5 500.29 392.37 29.91 o 5 1 6 26.66 -3.07 12.95 < 5 1 7 440.64 495.43 36.19 o 5 1 8 20.69 3.22 17.13 < 5 1 9 215.46 226.17 26.68 o 5 1 10 28.89 -17.02 14.65 < 5 1 11 180.40 158.89 27.42 o 5 1 12 12.42 -12.58 23.90 < 5 1 13 89.94 53.32 22.90 < 5 1 14 14.73 14.62 27.97 < 5 1 15 69.79 95.35 32.49 < 5 2 -5 15.02 -6.29 4.51 < 5 2 -3 29.26 -1.89 22.76 < 5 2 -2 65662.90 64827.40 4316.26 o 5 2 -1 21.46 0.07 14.43 < 5 2 0 16815.50 18623.60 883.01 o 5 2 1 21.55 -10.36 12.84 < 5 2 2 66583.70 67752.50 3184.71 o 5 2 3 29.10 -7.96 19.50 < 5 2 4 21834.70 22120.00 1047.51 o 5 2 5 14.99 42.74 20.61 < 5 2 6 36954.70 36511.00 1725.50 o 5 2 7 17.54 8.58 13.95 < 5 2 8 11564.90 9745.73 465.84 o 5 2 9 9.67 -5.07 19.83 < 5 2 10 15970.80 13872.80 659.14 o 5 2 11 10.69 20.87 28.38 < 5 2 12 5068.55 5274.63 259.51 o 5 2 13 6.93 26.31 27.75 < 5 2 14 5949.27 6335.64 308.93 o 5 2 15 6.13 2.55 46.10 < 5 3 -5 542.85 496.83 39.49 o 5 3 -3 534.96 478.60 71.54 o 5 3 -2 4.66 -15.91 14.76 < 5 3 -1 808.11 936.31 62.89 o 5 3 0 10.35 -10.58 13.91 < 5 3 1 802.50 823.34 55.82 o 5 3 2 5.12 -3.37 13.25 < 5 3 3 525.78 588.83 47.30 o 5 3 4 19.81 6.70 15.80 < 5 3 5 540.16 678.03 57.10 o 5 3 6 16.99 26.01 13.17 < 5 3 7 208.78 205.22 27.83 o 5 3 8 21.24 1.85 15.32 < 5 3 9 339.95 291.85 33.60 o 5 3 10 20.34 0.89 22.46 < 5 3 11 87.20 66.42 28.53 < 5 3 12 13.94 -32.78 20.24 < 5 3 13 159.64 90.80 35.60 < 5 3 14 13.67 95.17 64.97 < 5 3 15 30.61 6.70 61.13 < 5 4 -6 16.34 6.81 12.17 < 5 4 -5 555.92 562.83 46.88 o 5 4 -4 18.89 -7.10 9.18 < 5 4 -3 619.64 798.75 77.54 o 5 4 -2 6.14 9.55 16.28 < 5 4 -1 720.28 724.61 57.99 o 5 4 0 12.54 -1.85 17.65 < 5 4 1 725.57 700.00 54.38 o 5 4 2 5.43 -5.25 16.95 < 5 4 3 619.84 646.38 49.81 o 5 4 4 18.64 -16.28 25.31 < 5 4 5 552.16 540.82 43.45 o 5 4 6 15.41 7.66 22.13 < 5 4 7 392.17 334.80 36.67 o 5 4 8 20.75 -8.95 14.47 < 5 4 9 260.69 261.22 32.49 o 5 4 10 23.78 11.40 17.43 < 5 4 11 165.03 131.47 30.08 o 5 4 12 21.35 -22.05 31.60 < 5 4 13 124.93 27.86 37.45 < 5 4 14 21.86 29.93 44.33 < 5 4 15 62.03 180.86 92.39 < 5 5 -6 31005.70 27321.90 1818.81 o 5 5 -5 28.43 -7.07 12.69 < 5 5 -4 24513.40 25722.60 1215.50 o 5 5 -3 19.45 -20.02 23.01 < 5 5 -2 56528.80 60587.90 4032.24 o 5 5 -1 23.87 -34.78 38.33 < 5 5 0 25912.40 25518.00 1209.82 o 5 5 1 22.76 -1.33 17.02 < 5 5 2 57004.10 55203.10 2602.40 o 5 5 3 20.43 -5.70 16.06 < 5 5 4 24738.10 22415.90 1061.98 o 5 5 5 27.66 -5.22 16.43 < 5 5 6 31388.00 28792.10 1360.86 o 5 5 7 24.28 11.10 17.98 < 5 5 8 10935.30 9959.61 478.17 o 5 5 9 20.18 -23.64 22.50 < 5 5 10 12949.20 11502.40 549.81 o 5 5 11 18.33 50.62 28.05 < 5 5 12 4261.07 3719.35 268.21 o 5 5 13 12.81 6.07 60.72 < 5 5 14 4583.65 4053.57 295.95 o 6 -11 -7 261.60 298.13 36.63 o 6 -11 -6 31.40 11.10 13.54 < 6 -11 -5 407.64 456.25 45.15 o 6 -11 -4 54.16 -12.51 14.73 < 6 -11 -3 557.51 728.33 55.99 o 6 -11 -2 16.48 19.13 44.18 < 6 -11 -1 718.64 695.24 76.66 o 6 -11 0 42.58 -28.12 22.98 < 6 -11 1 719.01 600.68 72.49 o 6 -11 2 17.20 -11.03 21.79 < 6 -11 3 555.56 548.73 52.89 o 6 -11 4 53.16 -8.36 34.49 < 6 -11 5 411.23 340.70 42.11 o 6 -11 6 33.41 -8.51 16.24 < 6 -11 7 265.57 244.30 39.59 o 6 -11 8 52.64 4.44 21.94 < 6 -11 9 221.56 169.92 32.45 o 6 -11 10 43.11 29.90 45.18 < 6 -11 11 108.01 121.74 51.73 < 6 -11 12 40.34 1.22 52.13 < 6 -11 13 91.86 97.02 58.35 < 6 -11 14 31.40 -14.06 67.53 < 6 -10 -7 492.05 451.12 44.66 o 6 -10 -6 11.15 -23.90 20.76 < 6 -10 -5 388.09 554.11 43.04 o 6 -10 -4 26.57 -3.29 14.54 < 6 -10 -3 746.50 880.09 57.18 o 6 -10 -2 2.12 5.11 22.64 < 6 -10 -1 611.13 772.92 90.72 o 6 -10 0 28.13 1.30 22.68 < 6 -10 1 614.31 667.03 73.68 o 6 -10 2 1.62 -29.34 55.91 < 6 -10 3 752.32 649.51 54.15 o 6 -10 4 27.87 -9.99 19.39 < 6 -10 5 388.92 343.17 36.63 o 6 -10 6 9.47 5.77 23.35 < 6 -10 7 496.59 433.44 40.23 o 6 -10 8 26.81 -21.24 19.17 < 6 -10 9 141.94 55.39 28.57 < 6 -10 10 21.69 11.03 30.12 < 6 -10 11 242.24 250.25 61.94 o 6 -10 12 26.25 36.96 38.44 < 6 -10 13 55.06 53.73 55.65 < 6 -10 14 20.95 -105.53 86.99 < 6 -9 -7 45.05 7.44 14.80 < 6 -9 -6 4439.05 3489.90 239.94 o 6 -9 -5 54.48 -0.30 12.03 < 6 -9 -4 64741.10 65384.60 3086.59 o 6 -9 -3 94.09 -8.84 15.73 < 6 -9 -2 2772.67 3101.61 158.14 o 6 -9 -1 105.88 -3.44 20.98 < 6 -9 0 107025.00 104493.00 6936.20 o 6 -9 1 103.31 -3.55 40.26 < 6 -9 2 2885.78 2560.39 190.14 o 6 -9 3 96.03 -27.46 29.12 < 6 -9 4 64403.70 58370.00 3884.83 o 6 -9 5 52.56 20.06 23.27 < 6 -9 6 4397.03 3857.24 273.52 o 6 -9 7 46.09 4.48 29.64 < 6 -9 8 31800.80 34860.50 2331.81 o 6 -9 9 27.12 -39.33 35.71 < 6 -9 10 2417.33 2821.73 220.36 o 6 -9 11 23.05 -1.92 81.77 < 6 -9 12 12460.30 15164.10 1031.37 o 6 -9 13 13.83 71.08 72.15 < 6 -9 14 1345.72 1245.86 122.31 o 6 -8 -8 21.97 4.55 12.77 < 6 -8 -7 238.38 135.54 32.60 o 6 -8 -6 12.80 -6.18 13.91 < 6 -8 -5 609.52 685.57 49.00 o 6 -8 -4 24.85 -8.40 11.29 < 6 -8 -3 500.20 593.60 46.07 o 6 -8 -2 11.37 11.32 26.49 < 6 -8 -1 864.31 890.74 57.72 o 6 -8 0 10.51 -12.69 19.61 < 6 -8 1 862.29 697.37 71.87 o 6 -8 2 10.92 49.95 21.28 < 6 -8 3 495.83 489.24 61.55 o 6 -8 4 24.91 -21.13 27.08 < 6 -8 5 606.26 878.09 108.50 o 6 -8 6 12.71 -43.29 41.52 < 6 -8 7 236.70 314.55 64.80 o 6 -8 8 21.71 -14.06 32.08 < 6 -8 9 360.77 457.40 73.56 o 6 -8 10 21.79 -6.48 38.59 < 6 -8 11 90.91 4.22 43.88 < 6 -8 12 15.90 2.00 51.17 < 6 -8 13 173.55 80.63 59.28 < 6 -8 14 16.48 -7.73 63.98 < 6 -8 15 31.14 18.80 95.09 < 6 -7 -8 29.70 24.57 19.13 < 6 -7 -7 400.33 436.98 48.77 o 6 -7 -6 23.59 49.51 27.23 < 6 -7 -5 532.66 829.76 57.33 o 6 -7 -4 33.86 -5.70 11.32 < 6 -7 -3 729.09 796.53 52.00 o 6 -7 -2 11.86 -15.98 11.73 < 6 -7 -1 829.37 901.99 56.27 o 6 -7 0 19.38 1.18 10.77 < 6 -7 1 832.27 574.47 63.55 o 6 -7 2 10.84 -17.32 23.98 < 6 -7 3 728.91 764.93 84.91 o 6 -7 4 35.90 3.07 26.23 < 6 -7 5 529.34 565.95 84.04 o 6 -7 6 22.30 5.74 74.22 < 6 -7 7 397.47 415.11 69.24 o 6 -7 8 31.31 103.83 73.41 < 6 -7 9 220.18 152.38 59.83 < 6 -7 10 29.54 36.15 54.72 < 6 -7 11 164.80 287.07 74.15 o 6 -7 12 23.94 -25.83 50.10 < 6 -7 13 87.87 134.65 78.33 < 6 -7 14 18.20 26.49 84.29 < 6 -7 15 64.12 86.29 51.58 < 6 -6 -7 34.46 32.27 19.28 < 6 -6 -6 8491.18 8651.76 586.50 o 6 -6 -5 44.66 -6.03 17.72 < 6 -6 -4 61595.70 56304.60 2665.54 o 6 -6 -3 74.98 19.91 16.58 < 6 -6 -2 6920.40 6258.23 302.51 o 6 -6 -1 92.46 -2.07 13.95 < 6 -6 0 110498.00 107314.00 5093.14 o 6 -6 1 91.73 -22.53 13.39 < 6 -6 2 7105.18 7883.17 382.86 o 6 -6 3 75.73 -2.89 24.13 < 6 -6 4 61088.00 66808.80 4449.27 o 6 -6 5 44.13 9.99 27.46 < 6 -6 6 8455.04 9573.92 658.27 o 6 -6 7 34.97 38.96 27.27 < 6 -6 8 31121.50 32491.70 2176.03 o 6 -6 9 19.05 -16.87 32.82 < 6 -6 10 4054.83 4506.88 327.35 o 6 -6 11 17.24 80.14 60.61 < 6 -6 12 12304.20 13670.30 933.94 o 6 -6 13 10.50 -75.78 51.25 < 6 -6 14 2056.31 2505.55 143.43 o 6 -6 15 9.18 26.97 57.35 < 6 -5 -7 441.28 416.46 49.99 o 6 -5 -6 25.65 7.14 21.68 < 6 -5 -5 505.46 523.95 38.97 o 6 -5 -4 36.91 -7.18 17.72 < 6 -5 -3 838.65 757.37 51.27 o 6 -5 -2 14.14 -20.28 10.69 < 6 -5 -1 961.88 925.94 58.78 o 6 -5 0 23.92 12.32 33.38 < 6 -5 1 967.51 1017.90 67.73 o 6 -5 2 13.96 7.36 13.76 < 6 -5 3 835.79 995.39 64.86 o 6 -5 4 37.15 0.41 14.32 < 6 -5 5 501.35 519.95 46.66 o 6 -5 6 26.72 -29.86 28.31 < 6 -5 7 440.19 566.89 77.16 o 6 -5 8 20.74 14.50 28.64 < 6 -5 9 215.77 207.40 58.72 o 6 -5 10 28.95 -63.09 34.52 < 6 -5 11 180.40 312.93 46.88 o 6 -5 12 12.42 -23.64 28.42 < 6 -5 13 90.03 171.91 52.69 o 6 -5 14 14.76 -9.07 60.05 < 6 -5 15 69.85 115.04 54.43 < 6 -4 -7 429.15 436.87 55.91 o 6 -4 -6 17.71 0.67 13.39 < 6 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15.58 -5.96 12.69 < 6 -1 -3 506.41 554.64 48.37 o 6 -1 -2 10.93 23.42 30.79 < 6 -1 -1 971.06 855.45 58.07 o 6 -1 0 18.15 14.47 19.65 < 6 -1 1 964.38 766.59 69.88 o 6 -1 2 11.32 18.72 14.76 < 6 -1 3 502.37 557.99 56.19 o 6 -1 4 15.27 9.29 9.73 < 6 -1 5 587.79 509.34 34.23 o 6 -1 6 17.28 13.39 11.47 < 6 -1 7 253.08 206.97 23.79 o 6 -1 8 22.66 -6.22 11.91 < 6 -1 9 326.47 288.14 25.24 o 6 -1 10 18.87 1.37 16.35 < 6 -1 11 113.45 166.33 46.77 o 6 -1 12 16.70 48.84 50.80 < 6 -1 13 136.75 107.75 37.08 < 6 -1 14 15.08 37.70 40.55 < 6 -1 15 45.88 43.07 61.16 < 6 0 -5 44.78 -2.89 13.14 < 6 0 -4 61776.00 60594.50 2851.14 o 6 0 -3 74.80 4.59 23.09 < 6 0 -2 6923.94 6836.37 475.77 o 6 0 -1 92.72 -16.02 21.35 < 6 0 0 110538.00 114462.00 7601.99 o 6 0 1 91.47 0.44 23.94 < 6 0 2 7102.97 7279.12 350.78 o 6 0 3 75.91 5.85 10.51 < 6 0 4 60935.00 57582.10 2715.84 o 6 0 5 44.01 7.81 17.95 < 6 0 6 8450.61 7815.04 373.25 o 6 0 7 35.02 4.81 11.40 < 6 0 8 31101.40 28850.00 1359.16 o 6 0 9 19.01 9.73 16.35 < 6 0 10 4058.00 3623.98 177.68 o 6 0 11 17.25 1.55 17.65 < 6 0 12 12304.10 11409.10 543.70 o 6 0 13 10.49 46.58 36.37 < 6 0 14 2057.45 2052.94 123.43 o 6 0 15 9.18 -23.09 45.47 < 6 1 -5 550.20 413.90 40.38 o 6 1 -4 14.40 9.58 14.73 < 6 1 -3 1017.27 1093.77 107.56 o 6 1 -2 14.84 -25.42 24.09 < 6 1 -1 660.50 927.86 93.04 o 6 1 0 15.32 0.44 14.69 < 6 1 1 665.61 689.94 50.11 o 6 1 2 14.69 12.58 12.73 < 6 1 3 1023.32 881.29 57.02 o 6 1 4 13.21 14.25 12.28 < 6 1 5 546.25 497.48 40.30 o 6 1 6 16.54 20.87 18.98 < 6 1 7 688.23 508.73 36.49 o 6 1 8 20.25 -21.09 18.39 < 6 1 9 233.32 158.11 26.75 o 6 1 10 13.37 -18.46 25.75 < 6 1 11 323.19 205.63 27.49 o 6 1 12 23.49 -1.67 26.12 < 6 1 13 111.47 70.56 25.79 < 6 1 14 13.79 2.63 22.02 < 6 1 15 136.65 179.91 60.54 < 6 2 -5 434.19 308.43 35.23 o 6 2 -4 12.83 -5.33 27.64 < 6 2 -3 606.53 493.55 74.97 o 6 2 -2 33.89 4.85 24.68 < 6 2 -1 773.32 906.81 61.05 o 6 2 0 12.25 11.77 23.01 < 6 2 1 773.08 801.38 55.62 o 6 2 2 35.38 -1.74 13.39 < 6 2 3 596.40 571.51 45.49 o 6 2 4 11.34 -13.43 15.21 < 6 2 5 436.66 339.34 36.19 o 6 2 6 31.15 -6.66 18.54 < 6 2 7 355.02 300.50 33.08 o 6 2 8 25.96 13.25 25.09 < 6 2 9 269.86 231.16 34.63 o 6 2 10 21.83 -13.36 20.17 < 6 2 11 184.01 190.83 34.67 o 6 2 12 18.89 2.33 34.45 < 6 2 13 124.87 53.58 38.11 < 6 2 14 15.40 58.13 34.23 < 6 2 15 78.46 19.50 36.93 < 6 3 -5 39.80 -8.14 13.02 < 6 3 -3 65.86 -17.98 28.16 < 6 3 -2 2895.36 2820.29 149.02 o 6 3 -1 75.65 18.95 16.39 < 6 3 0 81242.40 84871.20 4003.41 o 6 3 1 75.29 0.52 17.28 < 6 3 2 2995.35 2882.21 150.75 o 6 3 3 66.32 41.78 27.90 < 6 3 4 49689.10 48826.10 2298.00 o 6 3 5 39.44 6.92 16.54 < 6 3 6 4873.91 4664.93 230.93 o 6 3 7 29.90 9.14 14.54 < 6 3 8 26239.80 25986.80 1230.65 o 6 3 9 17.49 14.80 20.65 < 6 3 10 2790.53 2805.31 145.38 o 6 3 11 14.49 -73.60 33.75 < 6 3 12 10864.80 11503.90 551.70 o 6 3 13 8.77 -27.27 33.04 < 6 3 14 1562.46 1449.26 119.58 o 6 4 -6 44.05 1.33 8.51 < 6 4 -5 337.07 468.01 44.00 o 6 4 -3 698.16 822.53 82.19 o 6 4 -2 24.55 -22.64 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77.70 60.90 < 6 5 14 38.71 -10.06 52.32 < 6 6 -7 20.75 5.14 13.54 < 6 6 -6 4434.63 4356.55 297.77 o 6 6 -5 44.21 -15.80 24.13 < 6 6 -4 28380.70 30294.20 1429.27 o 6 6 -3 32.31 12.88 42.11 < 6 6 -2 4434.04 4773.83 337.75 o 6 6 -1 51.76 -25.16 35.63 < 6 6 0 42273.20 43569.10 2904.80 o 6 6 1 53.23 -12.36 25.75 < 6 6 2 4511.14 4233.60 214.78 o 6 6 3 31.54 -7.84 18.76 < 6 6 4 28164.50 26490.60 1254.61 o 6 6 5 45.65 3.22 23.79 < 6 6 6 4438.84 4089.59 206.94 o 6 6 7 20.42 12.14 19.13 < 6 6 8 15882.00 14784.00 705.44 o 6 6 9 27.20 -5.85 25.60 < 6 6 10 2422.72 2372.40 127.30 o 6 6 11 13.22 -46.29 52.99 < 6 6 12 7044.79 7173.48 498.41 o 6 6 13 15.90 47.99 49.51 < 7 -13 -8 37.90 -6.11 17.83 < 7 -13 -7 217.64 233.41 33.19 o 7 -13 -6 49.29 -21.31 32.08 < 7 -13 -5 303.18 426.63 52.44 o 7 -13 -4 35.58 -18.13 15.73 < 7 -13 -3 355.67 380.84 38.56 o 7 -13 -2 24.12 -20.02 25.94 < 7 -13 -1 288.51 244.98 52.51 o 7 -13 0 29.91 -6.51 25.16 < 7 -13 1 292.86 252.65 51.88 o 7 -13 2 24.38 -2.52 26.49 < 7 -13 3 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64.53 < 7 -9 14 22.10 118.77 119.96 < 7 -8 -8 8461.84 8006.51 542.75 o 7 -8 -7 14.49 8.70 20.09 < 7 -8 -6 33214.80 35746.70 1687.45 o 7 -8 -5 20.61 9.47 20.94 < 7 -8 -4 15672.60 14673.30 699.15 o 7 -8 -3 25.93 -7.73 12.21 < 7 -8 -2 60787.00 58196.30 2737.30 o 7 -8 -1 33.88 13.65 21.20 < 7 -8 0 13176.50 12084.90 580.36 o 7 -8 1 32.54 12.06 14.32 < 7 -8 2 60145.20 65951.40 4390.39 o 7 -8 3 27.22 24.38 54.10 < 7 -8 4 15831.30 16465.90 1114.33 o 7 -8 5 19.78 -1.78 54.87 < 7 -8 6 33185.80 37280.20 2495.67 o 7 -8 7 15.35 -10.77 32.38 < 7 -8 8 8355.62 9830.16 678.22 o 7 -8 9 8.71 0.67 37.48 < 7 -8 10 14238.90 17199.60 1166.15 o 7 -8 11 9.90 -37.19 93.17 < 7 -8 12 3739.64 4494.44 339.92 o 7 -8 13 4.07 -1.30 111.11 < 7 -8 14 5264.00 6021.00 303.91 o 7 -8 15 5.72 -84.25 112.89 < 7 -7 -8 14.53 14.36 37.63 < 7 -7 -7 671.22 674.72 64.99 o 7 -7 -6 22.89 -11.21 13.25 < 7 -7 -5 542.84 688.10 50.48 o 7 -7 -4 6.84 -14.13 12.80 < 7 -7 -3 1139.68 1145.06 67.55 o 7 -7 -2 12.31 2.41 11.84 < 7 -7 -1 753.13 724.63 50.19 o 7 -7 0 14.81 -2.81 12.28 < 7 -7 1 755.54 819.23 60.44 o 7 -7 2 12.16 -5.88 15.13 < 7 -7 3 1147.51 1525.08 91.11 o 7 -7 4 7.82 -34.49 72.60 < 7 -7 5 542.82 374.43 70.76 o 7 -7 6 21.59 -13.76 32.01 < 7 -7 7 672.69 561.53 78.27 o 7 -7 8 15.34 -1.04 31.78 < 7 -7 9 193.24 190.02 62.72 o 7 -7 10 17.79 12.06 55.17 < 7 -7 11 308.50 282.37 74.19 o 7 -7 12 19.83 -7.92 32.15 < 7 -7 13 78.51 38.41 43.18 < 7 -7 14 16.00 19.54 60.39 < 7 -7 15 132.82 1.22 79.66 < 7 -6 -8 21.30 -11.69 26.64 < 7 -6 -7 685.85 521.44 64.11 o 7 -6 -6 17.73 13.88 16.95 < 7 -6 -5 551.75 661.40 49.07 o 7 -6 -4 14.39 5.99 21.16 < 7 -6 -3 1016.23 1035.56 63.87 o 7 -6 -2 14.83 4.33 11.25 < 7 -6 -1 662.07 653.75 46.29 o 7 -6 0 15.31 -10.84 15.36 < 7 -6 1 664.04 785.62 57.68 o 7 -6 2 14.70 -22.42 16.87 < 7 -6 3 1024.38 1334.23 82.43 o 7 -6 4 13.22 -9.58 15.76 < 7 -6 5 544.78 573.48 51.15 o 7 -6 6 16.56 11.51 30.42 < 7 -6 7 689.43 847.46 60.39 o 7 -6 8 20.23 -24.38 18.39 < 7 -6 9 232.46 240.94 39.89 o 7 -6 10 13.39 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24.87 o 7 0 10 17.78 9.77 16.84 < 7 0 11 308.30 221.21 27.49 o 7 0 12 19.85 14.99 18.61 < 7 0 13 78.80 97.46 45.44 < 7 0 14 16.02 -5.03 42.66 < 7 0 15 132.61 29.53 70.86 < 7 1 -5 46.14 5.03 29.27 < 7 1 -4 31690.70 29484.30 1398.53 o 7 1 -3 48.51 -0.04 51.73 < 7 1 -2 106183.00 98571.50 6558.02 o 7 1 -1 22.66 1.41 31.64 < 7 1 0 33629.60 36728.90 2453.67 o 7 1 1 23.37 8.33 14.80 < 7 1 2 105165.00 113189.00 5319.58 o 7 1 3 47.51 47.81 22.39 < 7 1 4 32218.30 32247.20 1521.39 o 7 1 5 46.24 -0.74 20.79 < 7 1 6 52437.00 53817.70 2532.36 o 7 1 7 65.91 8.29 15.28 < 7 1 8 12914.80 11040.00 527.90 o 7 1 9 45.08 26.05 17.87 < 7 1 10 19699.70 17032.70 813.38 o 7 1 11 47.05 29.56 24.35 < 7 1 12 4670.15 4055.05 201.05 o 7 1 13 31.76 26.97 32.15 < 7 1 14 6493.10 6291.29 310.01 o 7 1 15 27.00 -6.18 66.49 < 7 2 -6 39.21 -15.69 6.22 < 7 2 -5 306.75 267.60 36.93 o 7 2 -4 29.33 13.73 28.49 < 7 2 -3 540.81 616.71 84.87 o 7 2 -2 42.38 -7.70 28.90 < 7 2 -1 612.86 576.52 77.75 o 7 2 0 18.42 11.25 25.98 < 7 2 1 612.18 517.31 53.71 o 7 2 2 41.85 9.62 15.73 < 7 2 3 547.09 632.60 55.77 o 7 2 4 30.59 -0.96 27.83 < 7 2 5 304.96 262.64 33.27 o 7 2 6 38.54 0.26 13.84 < 7 2 7 396.66 295.25 34.38 o 7 2 8 34.86 11.84 21.61 < 7 2 9 119.27 128.21 35.41 o 7 2 10 41.28 18.35 23.46 < 7 2 11 196.91 211.58 36.97 o 7 2 12 28.19 15.36 22.39 < 7 2 13 44.03 31.97 28.53 < 7 2 14 28.80 31.04 38.85 < 7 3 -6 51.39 -3.44 10.21 < 7 3 -4 39.84 -51.06 31.08 < 7 3 -3 575.87 537.49 79.20 o 7 3 -2 24.58 -57.80 40.59 < 7 3 -1 373.65 460.95 48.70 o 7 3 0 26.71 -8.58 17.58 < 7 3 1 374.88 396.78 50.25 o 7 3 2 24.07 -9.73 26.01 < 7 3 3 578.74 521.04 51.89 o 7 3 4 40.12 33.41 21.83 < 7 3 5 292.14 283.98 35.82 o 7 3 6 50.33 -4.40 15.54 < 7 3 7 390.66 279.61 39.82 o 7 3 8 40.64 5.77 17.28 < 7 3 9 117.58 51.21 25.68 < 7 3 10 40.44 -23.50 37.22 < 7 3 11 203.22 141.53 39.59 o 7 3 12 34.87 20.02 36.11 < 7 3 13 47.61 -5.62 39.59 < 7 3 14 23.62 -17.61 36.34 < 7 4 -6 23951.40 23026.20 1533.36 o 7 4 -5 33.95 -11.03 9.73 < 7 4 -3 2.08 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3 10 34.07 19.02 27.27 < 8 3 11 62.16 99.31 42.00 < 8 3 12 33.64 -7.03 32.01 < 8 3 13 142.73 116.04 39.89 < 8 3 14 25.54 90.88 52.17 < 8 4 -7 281.35 275.88 22.80 o 8 4 -6 29.85 3.11 12.95 < 8 4 -3 414.47 361.69 88.12 o 8 4 -2 25.73 5.62 24.46 < 8 4 -1 503.48 503.86 51.06 o 8 4 0 36.26 -21.68 19.72 < 8 4 1 503.51 528.42 56.30 o 8 4 2 25.65 12.77 25.42 < 8 4 3 418.57 392.89 43.74 o 8 4 4 44.18 8.07 22.20 < 8 4 5 366.42 293.32 47.81 o 8 4 6 31.09 22.65 25.31 < 8 4 7 284.38 250.58 45.51 o 8 4 8 30.66 0.70 26.27 < 8 4 9 182.02 131.18 35.56 o 8 4 10 32.42 1.96 28.94 < 8 4 11 135.65 85.92 37.85 < 8 4 12 18.96 -14.13 33.38 < 8 4 13 94.00 -4.51 45.22 < 8 5 -7 27.25 56.72 23.64 < 8 5 -6 21245.60 21922.40 1461.88 o 8 5 -5 45.81 -18.24 20.54 < 8 5 -2 33429.30 34720.10 1656.56 o 8 5 -1 44.44 23.64 22.20 < 8 5 0 8984.56 9480.21 461.95 o 8 5 1 44.13 17.83 20.31 < 8 5 2 33482.00 33296.70 1575.84 o 8 5 3 36.88 33.49 33.78 < 8 5 4 9746.65 9390.57 455.21 o 8 5 5 45.09 28.27 41.74 < 8 5 6 21285.50 20286.50 964.53 o 8 5 7 26.73 21.68 33.86 < 8 5 8 5795.13 6009.56 297.77 o 8 5 9 31.59 51.40 30.49 < 8 5 10 10213.70 10229.60 494.52 o 8 5 11 19.45 40.55 29.01 < 8 5 12 2872.57 2798.05 151.43 o 8 5 13 20.82 -0.93 42.92 < 8 6 -7 94.38 196.81 35.45 o 8 6 -6 47.76 56.17 32.75 < 8 6 -5 221.46 257.32 44.88 o 8 6 -3 218.21 272.19 69.53 o 8 6 -2 40.73 -10.80 29.23 < 8 6 -1 290.47 279.76 44.26 o 8 6 0 27.35 45.66 33.75 < 8 6 1 291.43 325.63 50.84 o 8 6 2 40.62 22.27 21.76 < 8 6 3 212.61 145.02 39.00 o 8 6 4 34.21 -15.84 21.61 < 8 6 5 224.41 169.29 43.40 o 8 6 6 47.41 -13.99 29.19 < 8 6 7 93.83 55.95 31.90 < 8 6 8 41.89 -40.04 39.70 < 8 6 9 167.89 92.69 35.34 < 8 6 10 47.68 -30.30 42.48 < 8 6 11 46.39 3.18 43.14 < 8 6 12 35.61 -31.97 62.35 < 8 7 -8 42.29 6.07 20.83 < 8 7 -7 153.54 183.61 43.22 o 8 7 -6 43.98 -22.05 19.43 < 8 7 -5 220.95 271.07 42.22 o 8 7 -4 34.96 3.48 37.59 < 8 7 -3 213.12 254.89 61.43 o 8 7 -2 26.05 25.49 31.75 < 8 7 -1 270.90 338.82 61.46 o 8 7 0 26.13 1.96 28.12 < 8 7 1 275.98 209.53 52.18 o 8 7 2 25.09 -30.64 34.23 < 8 7 3 212.63 188.89 46.70 o 8 7 4 34.64 21.39 33.56 < 8 7 5 221.87 212.81 51.55 o 8 7 6 42.66 25.20 37.78 < 8 7 7 152.56 142.09 41.70 o 8 7 8 41.63 -33.93 29.56 < 8 7 9 114.70 158.45 44.11 o 8 7 10 56.73 105.12 62.35 < 8 7 11 67.34 102.09 65.16 < 8 7 12 41.59 60.35 56.72 < 8 8 -8 4384.44 3747.25 263.39 o 8 8 -7 17.14 22.24 34.23 < 8 8 -6 8568.21 8854.26 602.95 o 8 8 -5 15.19 36.71 25.53 < 8 8 -4 7666.60 8943.58 433.12 o 8 8 -3 22.86 -14.06 20.76 < 8 8 -2 12864.80 15147.80 1027.01 o 8 8 -1 24.94 2.92 32.49 < 8 8 0 8155.44 8478.66 586.00 o 8 8 1 24.44 -24.64 46.29 < 8 8 2 12871.50 12891.90 871.92 o 8 8 3 23.80 29.64 31.19 < 8 8 4 7757.79 7829.84 542.90 o 8 8 5 15.21 -45.07 35.15 < 8 8 6 8595.41 8522.81 588.85 o 8 8 7 18.19 1.37 53.99 < 8 8 8 4434.54 4600.19 329.31 o 8 8 9 8.62 90.99 60.35 < 8 8 10 4469.43 4750.36 341.54 o 8 8 11 9.53 3.07 58.57 < 9 -17 -9 111.34 161.77 49.66 o 9 -17 -8 39.76 18.20 48.47 < 9 -17 -7 78.97 94.32 46.33 < 9 -17 -6 49.66 9.55 41.18 < 9 -17 -5 158.10 125.40 58.76 < 9 -17 -4 33.03 -6.99 30.93 < 9 -17 -3 173.23 283.44 41.96 o 9 -17 -2 46.27 -44.03 38.89 < 9 -17 -1 221.18 211.62 53.54 o 9 -17 0 25.52 31.60 32.97 < 9 -17 1 221.69 225.31 63.42 o 9 -17 2 46.78 28.90 44.55 < 9 -17 3 171.93 191.38 60.57 o 9 -17 4 33.78 39.22 37.41 < 9 -17 5 159.87 120.81 61.24 < 9 -17 6 51.13 -27.68 41.29 < 9 -17 7 80.73 48.88 47.25 < 9 -17 8 41.03 70.56 49.77 < 9 -17 9 111.57 199.81 70.49 < 9 -17 10 49.23 -23.31 55.87 < 9 -17 11 28.32 104.16 74.67 < 9 -16 -9 84.02 99.28 48.62 < 9 -16 -8 42.03 28.86 29.34 < 9 -16 -7 180.31 126.58 48.07 < 9 -16 -6 35.49 9.29 31.30 < 9 -16 -5 185.03 256.32 39.59 o 9 -16 -4 30.81 10.88 21.83 < 9 -16 -3 269.49 354.23 52.36 o 9 -16 -2 15.19 -28.12 26.09 < 9 -16 -1 238.57 53.80 41.85 < 9 -16 0 22.01 -0.22 33.19 < 9 -16 1 240.27 234.78 74.93 o 9 -16 2 14.47 -2.48 31.19 < 9 -16 3 271.69 202.86 52.95 o 9 -16 4 30.68 43.18 48.14 < 9 -16 5 186.79 229.86 63.53 o 9 -16 6 33.24 -8.47 38.11 < 9 -16 7 181.86 158.60 62.91 < 9 -16 8 41.75 -47.25 45.44 < 9 -16 9 84.75 125.21 66.57 < 9 -16 10 46.00 29.93 65.23 < 9 -16 11 90.95 106.16 59.02 < 9 -15 -9 37.34 -51.28 38.89 < 9 -15 -8 15635.10 15995.90 1079.30 o 9 -15 -7 27.86 28.82 45.14 < 9 -15 -6 1705.76 1710.06 136.40 o 9 -15 -5 28.94 -7.18 28.45 < 9 -15 -4 28096.00 30510.20 1445.51 o 9 -15 -3 20.25 7.10 27.12 < 9 -15 -2 1601.92 1705.64 98.31 o 9 -15 -1 15.69 -23.64 33.34 < 9 -15 0 38921.00 39698.60 2649.01 o 9 -15 1 14.74 1.44 29.34 < 9 -15 2 1641.33 1921.16 155.54 o 9 -15 3 20.78 18.87 39.30 < 9 -15 4 28219.40 27404.90 1838.32 o 9 -15 5 28.10 -85.70 48.51 < 9 -15 6 1710.97 1498.73 131.11 o 9 -15 7 28.33 26.83 38.37 < 9 -15 8 15915.10 15372.60 1041.56 o 9 -15 9 37.15 -32.93 43.88 < 9 -15 10 1013.12 870.09 107.51 o 9 -15 11 28.37 -19.17 54.61 < 9 -15 12 6866.26 5840.36 419.23 o 9 -14 -9 293.19 122.37 44.77 < 9 -14 -8 35.74 -17.24 36.34 < 9 -14 -7 85.84 41.52 31.19 < 9 -14 -6 39.54 -2.00 28.53 < 9 -14 -5 369.01 425.97 43.26 o 9 -14 -4 33.58 -11.10 18.87 < 9 -14 -3 196.81 237.85 39.52 o 9 -14 -2 35.93 32.64 22.72 < 9 -14 -1 388.59 494.12 50.59 o 9 -14 0 25.12 -20.83 28.27 < 9 -14 1 385.92 322.36 75.11 o 9 -14 2 35.57 0.00 28.75 < 9 -14 3 192.82 156.93 50.62 o 9 -14 4 33.12 -5.51 30.05 < 9 -14 5 367.09 424.02 66.79 o 9 -14 6 39.12 -45.92 42.37 < 9 -14 7 81.60 72.56 72.34 < 9 -14 8 34.46 5.85 39.55 < 9 -14 9 295.69 234.74 64.01 o 9 -14 10 43.43 -4.85 45.66 < 9 -14 11 38.59 94.35 56.24 < 9 -14 12 28.79 -62.57 58.35 < 9 -13 -9 113.82 58.24 40.63 < 9 -13 -8 42.83 -25.09 23.98 < 9 -13 -7 209.48 169.03 35.86 o 9 -13 -6 46.17 5.11 25.31 < 9 -13 -5 260.57 342.33 40.19 o 9 -13 -4 44.08 -26.38 20.24 < 9 -13 -3 325.73 304.76 44.70 o 9 -13 -2 26.91 -8.29 18.28 < 9 -13 -1 341.42 343.49 42.56 o 9 -13 0 38.42 -27.42 21.05 < 9 -13 1 343.57 303.06 56.10 o 9 -13 2 26.24 -0.63 25.53 < 9 -13 3 326.75 265.66 63.83 o 9 -13 4 46.01 -3.55 28.05 < 9 -13 5 261.57 203.51 72.01 < 9 -13 6 45.30 22.05 32.64 < 9 -13 7 206.42 228.61 58.39 o 9 -13 8 45.39 -34.71 35.56 < 9 -13 9 114.94 20.17 40.15 < 9 -13 10 47.45 -15.95 61.02 < 9 -13 11 110.57 149.90 65.23 < 9 -13 12 37.22 -12.32 52.10 < 9 -13 13 47.27 140.05 68.71 < 9 -12 -9 27.18 52.47 44.70 < 9 -12 -8 14692.20 15617.10 1052.25 o 9 -12 -7 23.94 -0.04 31.49 < 9 -12 -6 4292.78 4426.72 221.85 o 9 -12 -5 35.88 4.74 20.17 < 9 -12 -4 25742.20 25339.70 1200.09 o 9 -12 -3 32.42 -8.81 30.82 < 9 -12 -2 4334.30 4200.33 210.89 o 9 -12 -1 38.53 -25.05 18.20 < 9 -12 0 37651.30 36987.30 1747.08 o 9 -12 1 38.73 35.82 19.65 < 9 -12 2 4398.96 3894.11 283.46 o 9 -12 3 32.13 -7.47 25.75 < 9 -12 4 25522.10 22158.60 1487.00 o 9 -12 5 35.91 5.51 27.05 < 9 -12 6 4296.64 3505.30 255.95 o 9 -12 7 23.64 62.94 46.95 < 9 -12 8 14678.40 13074.10 887.51 o 9 -12 9 27.00 -52.43 36.34 < 9 -12 10 2394.19 2337.20 185.31 o 9 -12 11 16.24 40.41 44.85 < 9 -12 12 6639.02 6084.57 435.60 o 9 -12 13 18.14 -71.30 71.41 < 9 -11 -9 203.03 201.11 40.33 o 9 -11 -8 35.33 -11.62 21.76 < 9 -11 -7 264.12 289.17 39.74 o 9 -11 -6 28.35 -4.70 20.50 < 9 -11 -5 355.21 332.24 36.12 o 9 -11 -4 42.46 26.23 15.58 < 9 -11 -3 429.65 518.83 45.03 o 9 -11 -2 25.89 2.66 19.13 < 9 -11 -1 525.65 623.55 53.41 o 9 -11 0 30.43 52.58 35.85 < 9 -11 1 524.47 532.37 47.40 o 9 -11 2 25.91 8.29 33.71 < 9 -11 3 428.24 323.78 61.73 o 9 -11 4 42.98 -7.55 22.64 < 9 -11 5 350.21 266.94 53.77 o 9 -11 6 29.53 52.62 39.96 < 9 -11 7 265.08 220.74 68.94 o 9 -11 8 35.29 -57.20 53.80 < 9 -11 9 198.95 360.48 84.74 o 9 -11 10 34.44 49.80 55.10 < 9 -11 11 137.74 114.38 63.64 < 9 -11 12 25.49 37.45 64.12 < 9 -11 13 104.20 162.03 59.31 < 9 -11 14 23.01 -70.23 106.75 < 9 -10 -9 144.66 71.68 46.70 < 9 -10 -8 23.86 -5.99 21.05 < 9 -10 -7 402.28 344.91 45.81 o 9 -10 -6 37.24 12.99 20.06 < 9 -10 -5 337.75 389.62 38.71 o 9 -10 -4 29.14 2.66 15.02 < 9 -10 -3 537.53 573.30 47.37 o 9 -10 -2 32.16 -29.19 17.58 < 9 -10 -1 516.99 564.69 47.74 o 9 -10 0 34.72 1.18 16.39 < 9 -10 1 527.53 536.14 47.55 o 9 -10 2 31.14 -15.28 16.61 < 9 -10 3 529.22 629.36 59.81 o 9 -10 4 31.02 41.37 28.90 < 9 -10 5 340.23 302.05 88.66 o 9 -10 6 35.81 16.61 33.41 < 9 -10 7 395.23 462.62 82.38 o 9 -10 8 24.76 -18.43 43.88 < 9 -10 9 145.94 231.70 78.59 < 9 -10 10 39.37 36.15 74.59 < 9 -10 11 222.65 224.79 52.66 o 9 -10 12 19.93 -41.26 46.18 < 9 -10 13 66.06 119.88 52.13 < 9 -10 14 25.93 61.79 64.05 < 9 -9 -9 12.96 42.51 45.14 < 9 -9 -8 20980.20 20734.40 1391.64 o 9 -9 -7 18.75 8.77 15.50 < 9 -9 -6 5611.65 6111.15 298.73 o 9 -9 -5 36.24 -4.55 13.47 < 9 -9 -4 40021.50 38436.90 1817.63 o 9 -9 -3 43.69 11.21 15.17 < 9 -9 -2 5634.43 4965.53 246.07 o 9 -9 -1 59.62 1.63 15.61 < 9 -9 0 63370.70 56991.00 2699.56 o 9 -9 1 61.28 6.11 21.91 < 9 -9 2 5760.46 5893.40 292.89 o 9 -9 3 42.75 -40.52 30.23 < 9 -9 4 39819.40 45298.40 2138.05 o 9 -9 5 37.85 -3.96 20.54 < 9 -9 6 5640.69 6513.75 322.11 o 9 -9 7 18.36 -40.66 30.34 < 9 -9 8 21098.80 23544.60 1119.59 o 9 -9 9 13.87 -10.69 30.90 < 9 -9 10 2808.26 3319.64 177.72 o 9 -9 11 8.19 37.70 44.77 < 9 -9 12 8706.88 10468.20 511.48 o 9 -9 13 5.82 -52.02 51.65 < 9 -9 14 1527.96 1796.02 119.55 o 9 -8 -9 228.20 202.15 54.32 o 9 -8 -8 54.38 -7.66 32.67 < 9 -8 -7 281.28 271.97 37.41 o 9 -8 -6 30.42 -1.89 18.43 < 9 -8 -5 479.05 553.15 49.41 o 9 -8 -4 63.13 -0.74 14.10 < 9 -8 -3 515.36 489.65 45.29 o 9 -8 -2 15.20 12.21 20.65 < 9 -8 -1 741.49 715.29 54.57 o 9 -8 0 42.22 -74.67 29.49 < 9 -8 1 751.28 816.64 64.31 o 9 -8 2 14.00 38.00 40.85 < 9 -8 3 512.93 521.21 59.62 o 9 -8 4 63.16 17.61 20.54 < 9 -8 5 485.67 553.27 55.84 o 9 -8 6 29.55 5.96 22.20 < 9 -8 7 281.01 409.24 46.81 o 9 -8 8 54.00 -15.39 27.12 < 9 -8 9 234.56 223.79 53.17 o 9 -8 10 47.09 -6.99 28.23 < 9 -8 11 119.97 148.68 45.36 o 9 -8 12 40.08 26.20 37.26 < 9 -8 13 92.46 150.00 48.25 o 9 -8 14 35.85 -8.40 64.46 < 9 -7 -9 118.67 140.54 46.29 o 9 -7 -8 34.33 13.21 38.04 < 9 -7 -7 388.80 398.82 38.45 o 9 -7 -6 39.15 -14.69 19.13 < 9 -7 -5 305.73 361.60 38.86 o 9 -7 -4 29.22 4.59 17.72 < 9 -7 -3 541.83 489.36 42.63 o 9 -7 -2 42.37 4.44 13.80 < 9 -7 -1 611.14 686.56 56.78 o 9 -7 0 18.42 -10.43 17.50 < 9 -7 1 613.98 577.41 53.43 o 9 -7 2 41.85 1.74 18.28 < 9 -7 3 546.05 475.08 49.71 o 9 -7 4 30.72 -0.07 23.20 < 9 -7 5 305.99 402.95 58.76 o 9 -7 6 38.60 0.41 21.94 < 9 -7 7 395.67 439.68 56.36 o 9 -7 8 34.94 -0.56 26.46 < 9 -7 9 119.57 179.64 42.26 o 9 -7 10 41.33 16.65 33.01 < 9 -7 11 196.61 173.32 39.56 o 9 -7 12 28.23 44.85 45.07 < 9 -7 13 44.11 166.73 63.35 < 9 -7 14 28.81 63.75 45.62 < 9 -6 -9 18.01 42.26 45.03 < 9 -6 -8 26297.70 25650.10 1720.27 o 9 -6 -7 29.53 18.13 22.02 < 9 -6 -6 4933.50 4540.49 226.51 o 9 -6 -5 39.90 -23.50 25.79 < 9 -6 -4 50188.30 49201.50 2325.53 o 9 -6 -3 65.81 29.64 30.49 < 9 -6 -2 2895.13 2824.58 152.20 o 9 -6 -1 75.79 -26.49 38.56 < 9 -6 0 81253.40 82324.50 3887.45 o 9 -6 1 75.14 52.88 31.53 < 9 -6 2 2995.74 2859.36 154.58 o 9 -6 3 66.37 27.79 27.53 < 9 -6 4 49660.90 52505.90 2475.49 o 9 -6 5 39.34 -6.77 25.46 < 9 -6 6 4873.65 4997.36 251.89 o 9 -6 7 29.87 20.54 19.54 < 9 -6 8 26236.00 27834.30 1320.06 o 9 -6 9 17.44 17.95 23.98 < 9 -6 10 2789.72 2916.74 159.24 o 9 -6 11 14.46 35.78 41.00 < 9 -6 12 10864.90 12050.40 585.23 o 9 -6 13 8.73 59.79 47.21 < 9 -6 14 1561.81 1767.13 128.21 o 9 -6 15 7.46 356.40 122.96 < 9 -5 -9 262.55 233.72 59.47 o 9 -5 -8 21.41 -15.43 28.05 < 9 -5 -7 393.37 444.62 39.56 o 9 -5 -6 16.39 -21.02 30.64 < 9 -5 -5 554.53 558.85 50.26 o 9 -5 -4 18.86 -10.84 22.20 < 9 -5 -3 620.95 724.98 59.17 o 9 -5 -2 6.17 -11.47 17.24 < 9 -5 -1 718.18 872.28 68.82 o 9 -5 0 12.54 0.52 21.46 < 9 -5 1 727.68 792.26 68.12 o 9 -5 2 5.41 -44.40 23.16 < 9 -5 3 618.54 559.73 51.38 o 9 -5 4 18.66 -7.73 18.43 < 9 -5 5 553.52 532.15 51.81 o 9 -5 6 15.36 -6.03 20.83 < 9 -5 7 390.87 372.23 47.04 o 9 -5 8 20.75 42.88 33.34 < 9 -5 9 261.39 295.17 45.62 o 9 -5 10 23.75 -6.99 30.01 < 9 -5 11 164.48 182.87 47.29 o 9 -5 12 21.32 31.53 34.26 < 9 -5 13 125.29 126.18 65.38 < 9 -5 14 21.84 38.11 45.25 < 9 -5 15 61.81 -18.13 118.92 < 9 -4 -8 30.79 -10.66 31.34 < 9 -4 -7 349.85 349.23 36.34 o 9 -4 -6 29.34 -4.29 16.76 < 9 -4 -5 584.49 684.82 53.67 o 9 -4 -4 19.99 -6.36 23.01 < 9 -4 -3 638.24 709.97 64.32 o 9 -4 -2 38.64 -18.91 29.31 < 9 -4 -1 947.38 999.17 69.20 o 9 -4 0 13.76 -14.39 18.94 < 9 -4 1 951.55 1042.26 75.61 o 9 -4 2 38.65 -6.85 18.24 < 9 -4 3 631.68 619.21 57.96 o 9 -4 4 20.47 18.06 19.06 < 9 -4 5 584.16 657.49 55.36 o 9 -4 6 29.02 0.19 20.35 < 9 -4 7 348.88 390.09 47.74 o 9 -4 8 30.56 -30.01 33.49 < 9 -4 9 297.18 379.50 59.50 o 9 -4 10 28.39 18.06 37.08 < 9 -4 11 147.98 96.65 42.70 < 9 -4 12 23.99 26.27 34.93 < 9 -4 13 131.66 95.09 44.29 < 9 -4 14 21.16 57.94 58.02 < 9 -4 15 54.03 -36.19 114.00 < 9 -3 -8 31642.40 28620.00 1921.92 o 9 -3 -7 45.18 28.23 21.68 < 9 -3 -6 4441.24 4163.87 209.45 o 9 -3 -5 54.53 -36.26 35.04 < 9 -3 -4 64666.10 67312.30 3171.57 o 9 -3 -3 94.29 4.77 18.35 < 9 -3 -2 2773.50 2843.82 153.90 o 9 -3 -1 105.78 13.40 18.50 < 9 -3 0 107013.00 114271.00 5390.69 o 9 -3 1 103.41 2.22 17.21 < 9 -3 2 2885.32 2657.90 142.93 o 9 -3 3 95.84 11.21 35.19 < 9 -3 4 64472.40 62830.30 2958.95 o 9 -3 5 52.52 -8.10 22.46 < 9 -3 6 4394.77 3862.10 199.84 o 9 -3 7 45.96 35.34 26.23 < 9 -3 8 31812.50 30992.20 1467.94 o 9 -3 9 27.06 -21.35 27.34 < 9 -3 10 2415.55 2396.75 136.58 o 9 -3 11 22.98 4.29 34.97 < 9 -3 12 12460.30 12810.30 619.74 o 9 -3 13 13.80 -40.96 49.69 < 9 -3 14 1345.17 1383.21 100.70 o 9 -3 15 11.54 243.80 117.07 < 9 -2 -8 44.16 25.86 34.23 < 9 -2 -7 356.59 383.24 46.96 o 9 -2 -6 45.39 34.49 26.79 < 9 -2 -5 352.67 437.85 46.89 o 9 -2 -4 36.89 -20.46 27.75 < 9 -2 -3 540.82 644.36 59.50 o 9 -2 -2 30.20 -40.37 30.93 < 9 -2 -1 490.80 495.23 52.97 o 9 -2 0 17.63 10.92 21.87 < 9 -2 1 498.85 561.40 56.47 o 9 -2 2 30.31 -8.81 23.09 < 9 -2 3 548.53 533.65 50.93 o 9 -2 4 35.63 64.35 37.56 < 9 -2 5 354.46 242.48 50.77 o 9 -2 6 46.03 -30.49 26.16 < 9 -2 7 359.94 285.14 47.66 o 9 -2 8 44.11 -16.72 22.39 < 9 -2 9 135.86 103.38 31.78 o 9 -2 10 37.17 -0.41 26.49 < 9 -2 11 156.09 271.27 63.27 o 9 -2 12 36.14 46.29 45.07 < 9 -2 13 62.14 5.33 51.40 < 9 -2 14 22.02 52.28 50.58 < 9 -1 -7 346.23 345.64 71.67 o 9 -1 -6 29.50 -4.26 17.76 < 9 -1 -5 334.83 428.08 51.81 o 9 -1 -4 31.91 5.25 19.61 < 9 -1 -3 582.82 659.31 58.28 o 9 -1 -2 26.80 -9.32 18.87 < 9 -1 -1 737.84 667.70 58.75 o 9 -1 0 20.79 23.61 36.63 < 9 -1 1 736.28 703.66 96.28 o 9 -1 2 27.93 -15.87 28.12 < 9 -1 3 579.53 675.65 90.31 o 9 -1 4 30.80 17.17 44.70 < 9 -1 5 331.68 277.44 45.40 o 9 -1 6 31.08 6.14 20.39 < 9 -1 7 350.58 402.82 64.36 o 9 -1 8 54.61 -32.23 30.79 < 9 -1 9 163.76 174.43 42.89 o 9 -1 10 27.51 13.54 38.52 < 9 -1 11 158.41 195.86 47.33 o 9 -1 12 39.54 -40.26 50.17 < 9 -1 13 69.84 55.72 44.33 < 9 -1 14 19.78 95.94 57.24 < 9 0 -7 18.78 0.56 36.15 < 9 0 -6 5610.51 5635.27 280.78 o 9 0 -5 36.17 23.27 19.39 < 9 0 -4 40011.90 38413.60 1815.12 o 9 0 -3 43.80 -18.17 17.98 < 9 0 -2 5634.44 4962.41 253.27 o 9 0 -1 59.47 -6.18 31.27 < 9 0 0 63359.10 66339.40 4421.14 o 9 0 1 61.44 -61.35 38.59 < 9 0 2 5760.37 5418.20 386.15 o 9 0 3 42.64 -8.07 54.69 < 9 0 4 39820.10 43714.80 2060.26 o 9 0 5 37.92 10.80 15.98 < 9 0 6 5641.83 5972.55 291.87 o 9 0 7 18.34 -5.92 14.65 < 9 0 8 21097.90 20058.40 956.91 o 9 0 9 13.89 -4.96 23.42 < 9 0 10 2810.18 2680.06 138.81 o 9 0 11 8.20 35.11 29.12 < 9 0 12 8707.01 7139.50 494.97 o 9 0 13 5.83 101.68 44.40 < 9 0 14 1529.15 1553.91 117.54 o 9 1 -6 48.71 34.86 26.01 < 9 1 -5 516.24 464.19 54.07 o 9 1 -4 20.79 5.07 27.75 < 9 1 -3 420.88 486.33 93.80 o 9 1 -2 32.39 -26.57 28.79 < 9 1 -1 468.89 436.38 72.84 o 9 1 0 14.97 13.43 40.41 < 9 1 1 469.21 656.50 87.55 o 9 1 2 33.08 17.28 18.61 < 9 1 3 427.57 417.87 42.93 o 9 1 4 20.70 -2.26 18.54 < 9 1 5 517.60 546.98 54.25 o 9 1 6 50.35 12.25 17.69 < 9 1 7 241.86 176.59 25.94 o 9 1 8 33.78 -1.22 20.91 < 9 1 9 223.77 119.22 32.60 o 9 1 10 34.33 -16.50 26.94 < 9 1 11 113.25 112.93 29.64 o 9 1 12 27.62 27.20 32.30 < 9 1 13 90.36 81.18 43.77 < 9 1 14 19.45 -67.16 80.51 < 9 2 -6 26.66 7.84 20.46 < 9 2 -5 497.73 483.60 54.96 o 9 2 -4 15.05 4.63 32.89 < 9 2 -3 320.85 322.45 89.84 o 9 2 -2 36.97 15.84 30.53 < 9 2 -1 637.88 508.06 77.84 o 9 2 0 16.76 -14.06 40.63 < 9 2 1 631.67 649.01 60.35 o 9 2 2 38.47 8.47 21.65 < 9 2 3 315.54 217.60 37.04 o 9 2 4 14.41 4.77 17.72 < 9 2 5 497.01 411.18 43.52 o 9 2 6 28.40 6.48 26.64 < 9 2 7 129.62 154.71 33.15 o 9 2 8 27.61 -8.18 25.24 < 9 2 9 357.05 273.08 41.89 o 9 2 10 26.10 6.62 24.01 < 9 2 11 64.92 68.45 35.48 < 9 2 12 26.28 24.94 38.56 < 9 2 13 173.92 31.53 38.52 < 9 2 14 23.25 135.61 55.83 < 9 3 -7 24.85 13.02 9.95 < 9 3 -6 3623.85 3318.64 232.77 o 9 3 -4 34703.40 32316.20 2171.86 o 9 3 -3 28.33 36.19 35.56 < 9 3 -2 3571.77 3228.67 247.10 o 9 3 -1 20.95 22.61 52.54 < 9 3 0 51554.10 52609.10 2487.54 o 9 3 1 19.90 17.83 23.01 < 9 3 2 3652.33 3464.71 179.79 o 9 3 3 28.96 -31.41 35.97 < 9 3 4 34701.90 35992.80 1701.07 o 9 3 5 14.41 0.41 21.20 < 9 3 6 3649.56 3891.16 197.85 o 9 3 7 25.21 10.69 25.83 < 9 3 8 18744.80 18398.50 875.83 o 9 3 9 16.72 8.92 33.63 < 9 3 10 1927.07 2002.56 118.08 o 9 3 11 17.63 -73.89 38.74 < 9 3 12 7837.34 7978.26 389.50 o 9 3 13 12.02 -7.92 59.91 < 9 4 -7 347.47 341.98 30.97 o 9 4 -6 51.98 2.18 25.16 < 9 4 -4 39.79 70.41 73.74 < 9 4 -3 478.80 365.45 88.11 o 9 4 -2 38.85 -18.57 35.34 < 9 4 -1 341.88 282.66 46.07 o 9 4 0 35.26 -16.54 20.09 < 9 4 1 344.99 346.34 45.99 o 9 4 2 38.36 -2.89 21.91 < 9 4 3 482.84 415.31 48.59 o 9 4 4 38.78 -10.69 28.27 < 9 4 5 308.73 223.64 39.67 o 9 4 6 50.08 -0.33 32.71 < 9 4 7 348.23 323.98 52.62 o 9 4 8 47.00 21.68 28.90 < 9 4 9 142.26 115.00 39.22 < 9 4 10 46.37 -25.09 38.52 < 9 4 11 177.27 133.58 47.55 < 9 4 12 50.40 -47.07 39.81 < 9 4 13 65.51 84.77 48.84 < 9 5 -7 178.74 192.04 29.16 o 9 5 -6 46.67 -15.76 30.71 < 9 5 -2 33.67 5.25 23.46 < 9 5 -1 325.11 310.70 50.62 o 9 5 0 21.56 2.89 22.50 < 9 5 1 323.20 249.29 44.62 o 9 5 2 34.06 6.88 22.16 < 9 5 3 266.03 258.56 43.67 o 9 5 4 27.70 1.81 22.68 < 9 5 5 214.82 199.33 45.29 o 9 5 6 46.92 8.07 23.57 < 9 5 7 179.51 80.04 36.26 < 9 5 8 45.76 3.11 42.18 < 9 5 9 162.55 120.48 35.93 o 9 5 10 45.61 -41.33 32.08 < 9 5 11 111.29 67.53 37.26 < 9 5 12 39.29 -2.81 41.52 < 9 6 -8 10724.10 9568.70 456.47 o 9 6 -7 19.26 -6.85 23.87 < 9 6 -6 2174.62 2192.60 159.47 o 9 6 -5 8.05 -5.55 19.72 < 9 6 -2 1832.47 2392.67 181.44 o 9 6 -1 5.91 4.26 33.04 < 9 6 0 23798.60 24062.50 1151.56 o 9 6 1 6.12 12.77 29.42 < 9 6 2 1850.70 1627.69 100.35 o 9 6 3 14.18 21.09 24.42 < 9 6 4 17372.50 16905.10 811.43 o 9 6 5 8.35 -20.28 38.11 < 9 6 6 2144.57 2314.69 135.23 o 9 6 7 19.42 -8.95 46.70 < 9 6 8 10681.00 10831.70 524.76 o 9 6 9 11.23 63.98 50.80 < 9 6 10 1488.01 1417.38 96.69 o 9 6 11 18.81 27.31 50.21 < 9 6 12 5244.06 4398.98 231.43 o 9 7 -8 49.08 -4.07 24.57 < 9 7 -7 188.52 170.69 48.99 o 9 7 -6 39.85 0.26 31.34 < 9 7 -5 142.15 351.93 59.09 o 9 7 -3 248.90 401.44 69.79 o 9 7 -2 27.88 -38.04 34.08 < 9 7 -1 163.89 87.22 38.15 < 9 7 0 44.60 7.29 32.71 < 9 7 1 163.25 124.18 34.78 o 9 7 2 27.79 68.79 52.65 < 9 7 3 252.61 283.27 52.92 o 9 7 4 49.51 -9.47 33.93 < 9 7 5 141.23 192.52 45.66 o 9 7 6 39.66 6.92 29.27 < 9 7 7 187.69 249.81 47.84 o 9 7 8 49.67 -26.01 50.66 < 9 7 9 64.59 76.00 40.74 < 9 7 10 34.69 35.26 42.96 < 9 7 11 110.86 43.77 94.13 < 9 8 -8 66.21 -37.67 32.15 < 9 8 -7 69.45 105.19 47.77 < 9 8 -6 51.10 -36.96 28.20 < 9 8 -5 126.30 153.71 48.18 o 9 8 -4 52.19 -11.47 27.49 < 9 8 -3 161.97 171.84 63.61 < 9 8 -2 41.87 -34.56 34.08 < 9 8 -1 200.35 293.33 58.98 o 9 8 0 41.77 32.86 51.14 < 9 8 1 199.97 160.62 60.79 < 9 8 2 42.21 -3.33 37.78 < 9 8 3 160.14 87.10 36.85 < 9 8 4 52.27 16.24 37.63 < 9 8 5 129.13 218.46 81.03 < 9 8 6 52.16 -22.24 60.20 < 9 8 7 71.95 43.14 69.75 < 9 8 8 66.97 -16.95 47.36 < 9 8 9 91.53 29.86 64.60 < 9 8 10 52.65 -3.92 56.13 < 9 8 11 28.36 124.21 79.70 < 9 9 -8 6782.48 5598.57 390.01 o 9 9 -7 13.35 -45.81 34.82 < 9 9 -6 1151.73 964.49 97.84 o 9 9 -5 5.75 34.67 43.59 < 9 9 -4 10281.20 11245.20 764.80 o 9 9 -3 4.17 27.60 34.78 < 9 9 -2 950.52 1067.61 116.01 o 9 9 -1 1.00 -49.95 39.44 < 9 9 0 13053.60 14768.20 1002.62 o 9 9 1 0.87 -32.67 43.55 < 9 9 2 952.83 1140.52 113.99 o 9 9 3 4.21 1.96 43.11 < 9 9 4 10159.70 11352.80 774.56 o 9 9 5 5.44 13.73 45.29 < 9 9 6 1123.41 997.99 104.27 o 9 9 7 13.19 -77.96 77.44 < 9 9 8 6703.08 6885.84 482.72 o 9 9 9 12.99 -27.97 55.76 < 9 9 10 864.93 888.43 109.73 o 10 -19 -9 28.01 0.63 73.45 < 10 -19 -8 49.39 -20.02 46.36 < 10 -19 -7 120.04 214.65 76.45 < 10 -19 -6 29.87 -9.21 48.43 < 10 -19 -5 71.88 133.58 65.35 < 10 -19 -4 53.94 -23.16 31.56 < 10 -19 -3 142.84 232.96 56.95 o 10 -19 -2 20.88 -77.74 34.30 < 10 -19 -1 91.99 109.42 67.42 < 10 -19 0 51.36 40.26 63.64 < 10 -19 1 92.06 52.95 63.68 < 10 -19 2 21.07 30.90 69.82 < 10 -19 3 144.71 192.04 71.49 < 10 -19 4 53.59 2.70 57.17 < 10 -19 5 73.11 87.43 75.00 < 10 -19 6 30.49 69.19 70.60 < 10 -19 7 119.04 99.87 56.95 < 10 -19 8 49.34 31.75 58.31 < 10 -19 9 27.65 40.04 65.12 < 10 -18 -9 64.82 0.81 62.13 < 10 -18 -8 45.64 50.88 48.40 < 10 -18 -7 136.65 105.31 46.11 < 10 -18 -6 31.68 -16.17 47.62 < 10 -18 -5 115.93 176.72 53.10 o 10 -18 -4 45.57 6.18 34.04 < 10 -18 -3 140.88 109.08 34.75 o 10 -18 -2 30.38 19.68 51.21 < 10 -18 -1 139.65 113.74 39.81 < 10 -18 0 40.63 0.37 46.14 < 10 -18 1 140.66 209.96 86.44 < 10 -18 2 30.57 121.55 89.10 < 10 -18 3 141.91 92.39 61.24 < 10 -18 4 45.54 62.09 65.75 < 10 -18 5 112.89 41.18 56.84 < 10 -18 6 32.45 -30.75 47.92 < 10 -18 7 137.04 172.72 70.52 < 10 -18 8 45.96 54.21 84.96 < 10 -18 9 62.25 119.15 60.46 < 10 -18 10 32.10 -58.43 71.78 < 10 -17 -9 7.67 -17.46 47.29 < 10 -17 -8 3435.47 2811.26 208.65 o 10 -17 -7 13.12 108.12 61.64 < 10 -17 -6 7662.87 6961.57 480.45 o 10 -17 -5 11.39 -9.77 31.27 < 10 -17 -4 5307.09 5988.07 297.70 o 10 -17 -3 17.08 8.33 25.20 < 10 -17 -2 11092.20 12347.70 594.30 o 10 -17 -1 14.65 -52.02 22.79 < 10 -17 0 5396.34 5676.70 395.39 o 10 -17 1 14.08 -10.88 36.37 < 10 -17 2 11099.00 11540.40 792.71 o 10 -17 3 18.05 -23.98 44.40 < 10 -17 4 5325.75 5526.82 392.36 o 10 -17 5 11.06 89.25 48.99 < 10 -17 6 7699.80 8255.92 573.01 o 10 -17 7 14.22 55.47 58.65 < 10 -17 8 3414.57 3575.13 266.08 o 10 -17 9 7.45 49.69 94.46 < 10 -17 10 4160.65 3989.36 299.43 o 10 -17 11 9.62 192.70 101.94 < 10 -16 -9 77.92 37.96 57.69 < 10 -16 -8 57.68 -2.29 38.89 < 10 -16 -7 175.77 118.37 58.50 < 10 -16 -6 55.78 -29.08 35.82 < 10 -16 -5 156.34 233.01 39.70 o 10 -16 -4 54.24 14.10 31.67 < 10 -16 -3 251.07 273.78 44.70 o 10 -16 -2 40.68 7.55 25.68 < 10 -16 -1 168.61 245.78 39.78 o 10 -16 0 45.95 145.34 69.90 < 10 -16 1 169.37 174.54 56.39 o 10 -16 2 40.13 -21.57 32.86 < 10 -16 3 254.15 225.98 57.13 o 10 -16 4 53.88 -32.34 33.41 < 10 -16 5 158.76 100.98 57.17 < 10 -16 6 54.41 106.08 74.48 < 10 -16 7 176.12 180.28 86.96 < 10 -16 8 57.70 76.63 60.13 < 10 -16 9 78.23 71.41 86.14 < 10 -16 10 54.01 69.67 60.98 < 10 -16 11 94.11 -105.05 101.50 < 10 -15 -9 119.51 98.09 57.61 < 10 -15 -8 42.24 25.72 35.56 < 10 -15 -7 129.19 79.33 38.67 < 10 -15 -6 39.05 -15.21 23.09 < 10 -15 -5 214.79 332.75 43.99 o 10 -15 -4 42.42 -20.50 24.01 < 10 -15 -3 184.52 184.02 36.89 o 10 -15 -2 27.98 19.94 22.87 < 10 -15 -1 232.25 318.88 41.77 o 10 -15 0 41.05 13.14 20.24 < 10 -15 1 233.10 272.92 63.17 o 10 -15 2 28.17 6.88 32.41 < 10 -15 3 189.80 104.68 52.28 < 10 -15 4 42.64 -31.19 30.71 < 10 -15 5 213.36 142.39 60.95 < 10 -15 6 39.80 -39.22 39.89 < 10 -15 7 131.70 144.19 65.05 < 10 -15 8 43.31 28.75 57.80 < 10 -15 9 119.35 119.67 51.58 < 10 -15 10 37.67 29.97 53.10 < 10 -15 11 58.74 46.55 56.50 < 10 -15 12 35.89 20.76 66.82 < 10 -14 -9 8.83 -69.41 34.78 < 10 -14 -8 4481.39 4701.62 331.90 o 10 -14 -7 12.89 -78.55 29.75 < 10 -14 -6 12956.60 13621.60 655.47 o 10 -14 -5 13.36 -2.18 28.53 < 10 -14 -4 7189.61 7663.35 372.48 o 10 -14 -3 15.14 -5.96 22.05 < 10 -14 -2 19076.90 19732.20 938.48 o 10 -14 -1 16.09 31.12 27.90 < 10 -14 0 6762.23 7367.83 359.04 o 10 -14 1 15.32 -7.55 21.20 < 10 -14 2 18993.00 18137.30 1222.27 o 10 -14 3 15.91 44.92 30.60 < 10 -14 4 7192.09 6577.03 459.47 o 10 -14 5 12.76 49.80 71.75 < 10 -14 6 12852.70 12517.30 850.02 o 10 -14 7 13.23 -23.24 37.45 < 10 -14 8 4408.74 4119.06 299.96 o 10 -14 9 8.37 -10.25 44.03 < 10 -14 10 6858.85 6957.19 486.53 o 10 -14 11 10.36 -30.53 66.08 < 10 -14 12 2290.62 2131.40 190.94 o 10 -13 -10 37.87 -66.60 34.52 < 10 -13 -9 105.62 67.79 40.37 < 10 -13 -8 29.15 -42.51 37.45 < 10 -13 -7 295.36 329.14 41.55 o 10 -13 -6 40.52 -29.82 21.91 < 10 -13 -5 252.21 261.91 44.00 o 10 -13 -4 23.67 25.38 27.94 < 10 -13 -3 452.46 462.44 44.11 o 10 -13 -2 24.28 0.63 18.17 < 10 -13 -1 298.05 299.85 38.74 o 10 -13 0 18.42 -10.36 20.65 < 10 -13 1 296.34 354.90 39.59 o 10 -13 2 24.11 -1.89 18.98 < 10 -13 3 459.33 340.54 61.80 o 10 -13 4 24.09 16.72 44.03 < 10 -13 5 252.94 276.75 60.28 o 10 -13 6 39.84 5.85 33.30 < 10 -13 7 296.18 208.67 68.75 o 10 -13 8 29.99 -26.49 36.45 < 10 -13 9 103.41 86.10 59.80 < 10 -13 10 36.66 50.91 49.17 < 10 -13 11 155.00 122.48 70.30 < 10 -13 12 32.48 -6.88 54.91 < 10 -13 13 40.95 -22.94 68.86 < 10 -12 -10 42.97 16.80 47.03 < 10 -12 -9 149.26 132.95 43.81 o 10 -12 -8 35.90 30.05 38.41 < 10 -12 -7 346.47 423.16 44.00 o 10 -12 -6 41.50 2.26 26.94 < 10 -12 -5 344.44 383.01 42.07 o 10 -12 -4 18.44 15.76 18.54 < 10 -12 -3 479.49 424.97 41.93 o 10 -12 -2 28.96 11.06 21.57 < 10 -12 -1 432.56 435.55 47.55 o 10 -12 0 11.50 -10.58 16.72 < 10 -12 1 437.79 317.10 38.79 o 10 -12 2 29.09 12.03 17.35 < 10 -12 3 481.62 536.32 47.07 o 10 -12 4 16.95 -0.93 17.95 < 10 -12 5 344.19 113.76 41.15 < 10 -12 6 40.99 71.56 48.21 < 10 -12 7 346.79 274.19 61.79 o 10 -12 8 34.09 -44.96 45.07 < 10 -12 9 148.42 202.45 77.41 < 10 -12 10 41.52 -14.06 55.95 < 10 -12 11 161.49 153.93 55.76 < 10 -12 12 42.20 -73.93 59.79 < 10 -12 13 65.40 22.42 46.44 < 10 -11 -10 9896.75 8868.12 606.09 o 10 -11 -9 31.00 17.80 38.78 < 10 -11 -8 7762.22 8031.93 553.95 o 10 -11 -7 18.91 19.13 22.64 < 10 -11 -6 20688.00 18829.30 897.92 o 10 -11 -5 48.72 7.40 16.35 < 10 -11 -4 14631.10 13377.60 640.43 o 10 -11 -3 33.54 -24.16 16.35 < 10 -11 -2 32981.00 31666.50 1496.96 o 10 -11 -1 50.62 -2.48 22.98 < 10 -11 0 14418.50 14016.60 671.64 o 10 -11 1 50.96 -17.46 26.75 < 10 -11 2 32860.70 32070.70 1519.11 o 10 -11 3 32.81 14.62 30.60 < 10 -11 4 14768.10 16349.10 780.49 o 10 -11 5 48.82 -1.78 24.83 < 10 -11 6 20661.30 23661.50 1126.66 o 10 -11 7 18.21 16.98 30.67 < 10 -11 8 7776.88 8814.31 431.90 o 10 -11 9 31.22 -4.00 29.16 < 10 -11 10 9911.49 11907.30 576.61 o 10 -11 11 11.11 59.98 53.91 < 10 -11 12 3468.66 4014.00 215.22 o 10 -11 13 18.63 -5.81 46.33 < 10 -10 -10 48.08 -1.67 29.68 < 10 -10 -9 145.04 80.07 31.60 < 10 -10 -8 34.09 -1.92 26.05 < 10 -10 -7 280.02 286.45 42.55 o 10 -10 -6 67.97 16.06 25.12 < 10 -10 -5 385.46 466.26 49.85 o 10 -10 -4 23.70 -7.40 15.43 < 10 -10 -3 499.46 529.29 52.81 o 10 -10 -2 46.82 33.97 22.09 < 10 -10 -1 401.31 345.00 41.00 o 10 -10 0 15.32 -16.35 16.76 < 10 -10 1 404.75 373.88 41.19 o 10 -10 2 46.60 0.56 20.17 < 10 -10 3 502.40 500.20 62.50 o 10 -10 4 25.72 1.18 19.50 < 10 -10 5 392.85 472.34 59.39 o 10 -10 6 67.72 -14.43 31.45 < 10 -10 7 273.34 228.38 43.48 o 10 -10 8 37.47 47.62 52.36 < 10 -10 9 149.34 252.47 49.29 o 10 -10 10 48.38 13.25 37.56 < 10 -10 11 130.34 83.55 50.77 < 10 -10 12 32.95 9.58 43.81 < 10 -10 13 50.36 138.53 56.61 < 10 -10 14 28.55 148.30 122.25 < 10 -9 -10 32.14 -64.53 45.29 < 10 -9 -9 221.87 207.03 65.68 o 10 -9 -8 32.41 23.57 21.98 < 10 -9 -7 247.56 267.73 35.86 o 10 -9 -6 48.52 -17.61 16.47 < 10 -9 -5 517.62 588.80 51.66 o 10 -9 -4 20.75 30.42 14.99 < 10 -9 -3 419.80 299.63 40.27 o 10 -9 -2 32.26 -18.43 16.21 < 10 -9 -1 470.47 375.32 42.85 o 10 -9 0 14.97 37.08 32.52 < 10 -9 1 467.66 544.85 56.33 o 10 -9 2 33.22 12.47 35.37 < 10 -9 3 428.71 447.85 52.95 o 10 -9 4 20.74 -10.92 23.83 < 10 -9 5 516.26 553.44 53.74 o 10 -9 6 50.54 8.84 22.42 < 10 -9 7 242.60 341.93 48.21 o 10 -9 8 33.78 43.07 51.51 < 10 -9 9 223.22 446.49 58.84 o 10 -9 10 34.41 75.19 58.35 < 10 -9 11 113.56 46.21 54.47 < 10 -9 12 27.61 -53.13 51.21 < 10 -9 13 90.21 185.20 71.12 < 10 -9 14 19.46 -19.72 64.12 < 10 -8 -10 12051.80 11200.50 765.67 o 10 -8 -9 15.50 -19.72 29.12 < 10 -8 -8 7199.39 7370.25 359.67 o 10 -8 -7 22.09 17.83 24.12 < 10 -8 -6 25567.90 26359.10 1248.27 o 10 -8 -5 29.18 8.81 16.84 < 10 -8 -4 13342.80 11565.50 555.29 o 10 -8 -3 45.99 -23.27 17.84 < 10 -8 -2 42306.40 36711.10 1732.31 o 10 -8 -1 50.42 -8.55 22.64 < 10 -8 0 11480.40 11589.30 562.96 o 10 -8 1 51.57 22.79 26.31 < 10 -8 2 42036.90 44506.20 2113.27 o 10 -8 3 44.84 -16.91 21.35 < 10 -8 4 13472.40 13367.30 642.77 o 10 -8 5 30.09 31.08 19.65 < 10 -8 6 25462.70 26584.20 1260.91 o 10 -8 7 21.20 29.16 31.93 < 10 -8 8 7142.45 7816.46 385.67 o 10 -8 9 16.15 -22.68 33.30 < 10 -8 10 12021.60 13945.60 670.90 o 10 -8 11 11.31 -9.84 38.96 < 10 -8 12 3272.40 3845.29 204.63 o 10 -8 13 8.04 -39.96 49.36 < 10 -8 14 4820.58 5086.78 273.44 o 10 -7 -9 121.58 19.65 46.40 < 10 -7 -8 39.53 11.03 22.20 < 10 -7 -7 393.93 391.26 41.26 o 10 -7 -6 51.20 -17.28 17.65 < 10 -7 -5 293.58 335.19 38.60 o 10 -7 -4 39.77 -0.63 20.09 < 10 -7 -3 576.06 524.56 45.74 o 10 -7 -2 24.51 -9.44 22.16 < 10 -7 -1 373.65 416.99 47.85 o 10 -7 0 26.71 -1.04 22.50 < 10 -7 1 374.84 353.60 46.92 o 10 -7 2 24.13 23.46 30.16 < 10 -7 3 578.57 662.49 57.96 o 10 -7 4 40.19 12.21 20.76 < 10 -7 5 292.26 406.82 59.91 o 10 -7 6 50.51 38.70 30.01 < 10 -7 7 390.73 342.14 44.59 o 10 -7 8 40.74 -8.81 32.67 < 10 -7 9 117.77 60.09 27.49 < 10 -7 10 40.58 -29.90 30.82 < 10 -7 11 203.10 179.02 42.11 o 10 -7 12 34.99 -56.28 42.74 < 10 -7 13 47.70 115.26 44.07 < 10 -7 14 23.70 52.99 58.31 < 10 -6 -9 127.49 129.58 53.88 < 10 -6 -8 44.81 -69.12 34.41 < 10 -6 -7 456.28 465.62 45.22 o 10 -6 -6 43.90 -19.54 22.61 < 10 -6 -5 337.41 357.28 44.37 o 10 -6 -4 33.28 0.30 26.60 < 10 -6 -3 696.92 779.76 60.19 o 10 -6 -2 24.48 -12.28 21.50 < 10 -6 -1 429.32 399.86 48.36 o 10 -6 0 19.92 44.44 26.46 < 10 -6 1 429.76 359.15 46.86 o 10 -6 2 24.45 -0.74 35.34 < 10 -6 3 708.98 747.49 61.58 o 10 -6 4 32.58 -21.09 23.98 < 10 -6 5 337.32 396.00 51.66 o 10 -6 6 43.50 19.50 21.31 < 10 -6 7 459.29 472.21 49.36 o 10 -6 8 45.23 -2.15 25.20 < 10 -6 9 123.10 83.40 32.78 < 10 -6 10 35.07 59.79 52.21 < 10 -6 11 215.14 145.09 46.99 o 10 -6 12 41.67 10.40 41.63 < 10 -6 13 54.92 152.71 72.30 < 10 -6 14 25.18 -12.84 49.88 < 10 -5 -9 20.39 49.62 37.63 < 10 -5 -8 10839.70 10810.20 520.14 o 10 -5 -7 23.27 -45.18 21.98 < 10 -5 -6 31063.30 30003.70 1418.85 o 10 -5 -5 28.34 -8.62 17.28 < 10 -5 -4 24439.10 23145.70 1106.78 o 10 -5 -3 19.37 7.73 28.27 < 10 -5 -2 56870.20 62174.50 2929.19 o 10 -5 -1 23.86 -18.20 37.52 < 10 -5 0 25913.30 24927.70 1191.65 o 10 -5 1 22.77 -50.29 24.12 < 10 -5 2 56659.40 57707.60 2722.71 o 10 -5 3 20.51 -5.88 24.94 < 10 -5 4 24814.70 23193.50 1102.38 o 10 -5 5 27.73 35.15 24.01 < 10 -5 6 31335.50 29363.00 1391.29 o 10 -5 7 24.36 11.51 21.09 < 10 -5 8 10939.10 10989.00 531.99 o 10 -5 9 20.24 -56.17 42.88 < 10 -5 10 12946.90 12998.30 627.61 o 10 -5 11 18.37 -34.23 41.15 < 10 -5 12 4252.30 4318.29 225.17 o 10 -5 13 12.85 76.81 53.65 < 10 -5 14 4589.25 4695.81 246.61 o 10 -4 -9 143.13 234.59 66.05 o 10 -4 -8 26.24 -3.26 19.94 < 10 -4 -7 491.26 497.87 45.93 o 10 -4 -6 11.16 -6.25 17.72 < 10 -4 -5 388.92 258.80 42.78 o 10 -4 -4 26.62 51.95 26.72 < 10 -4 -3 745.88 929.19 70.70 o 10 -4 -2 2.13 -8.99 24.05 < 10 -4 -1 612.23 746.56 63.72 o 10 -4 0 28.13 -3.96 19.61 < 10 -4 1 613.17 593.59 57.63 o 10 -4 2 1.62 -9.40 19.06 < 10 -4 3 752.95 766.05 63.21 o 10 -4 4 27.82 26.86 26.38 < 10 -4 5 388.10 413.52 48.85 o 10 -4 6 9.47 24.79 24.61 < 10 -4 7 497.38 471.17 50.92 o 10 -4 8 26.76 -12.84 31.30 < 10 -4 9 141.69 144.50 41.30 o 10 -4 10 21.70 -13.65 31.45 < 10 -4 11 242.51 270.67 53.69 o 10 -4 12 26.23 -78.22 40.92 < 10 -4 13 54.96 6.96 51.73 < 10 -4 14 20.95 -1.37 59.72 < 10 -3 -8 37.34 -6.88 17.95 < 10 -3 -7 474.82 477.57 46.59 o 10 -3 -6 47.94 16.24 17.83 < 10 -3 -5 286.96 333.28 49.95 o 10 -3 -4 32.41 -21.46 18.46 < 10 -3 -3 631.79 757.52 63.81 o 10 -3 -2 30.80 -21.13 23.68 < 10 -3 -1 306.05 331.33 52.77 o 10 -3 0 20.27 20.94 22.98 < 10 -3 1 306.00 193.99 39.38 o 10 -3 2 29.83 28.97 19.24 < 10 -3 3 639.52 675.69 69.17 o 10 -3 4 31.52 10.32 25.98 < 10 -3 5 285.30 306.52 43.85 o 10 -3 6 45.44 -7.84 19.76 < 10 -3 7 476.65 411.57 51.66 o 10 -3 8 36.84 45.44 27.09 < 10 -3 9 133.68 191.94 44.07 o 10 -3 10 36.38 -24.53 29.86 < 10 -3 11 259.31 207.33 48.84 o 10 -3 12 37.60 16.98 50.84 < 10 -3 13 65.92 167.18 57.13 < 10 -3 14 27.14 51.40 50.32 < 10 -2 -8 5856.81 5341.83 384.81 o 10 -2 -7 19.19 15.32 29.90 < 10 -2 -6 26999.10 24237.30 1151.20 o 10 -2 -5 37.37 47.88 27.38 < 10 -2 -4 7573.75 8160.61 402.80 o 10 -2 -3 5.30 36.74 23.46 < 10 -2 -2 44661.60 43664.00 2064.25 o 10 -2 -1 11.63 -14.80 21.16 < 10 -2 0 5121.36 5126.63 260.64 o 10 -2 1 11.89 1.89 22.13 < 10 -2 2 44321.20 46198.90 2190.18 o 10 -2 3 5.28 34.82 28.97 < 10 -2 4 7433.90 6679.14 330.29 o 10 -2 5 37.48 -10.18 28.42 < 10 -2 6 26885.10 23118.60 1548.46 o 10 -2 7 19.22 -23.61 30.12 < 10 -2 8 5561.85 4983.59 252.34 o 10 -2 9 35.84 -13.25 35.48 < 10 -2 10 12445.60 11901.80 576.91 o 10 -2 11 24.65 14.73 39.92 < 10 -2 12 3073.20 2917.41 164.30 o 10 -2 13 25.29 7.51 53.65 < 10 -2 14 4899.30 4606.98 249.93 o 10 -1 -7 401.58 384.61 42.85 o 10 -1 -6 37.41 -17.28 26.75 < 10 -1 -5 338.94 393.55 51.25 o 10 -1 -4 29.24 -20.35 37.93 < 10 -1 -3 537.04 436.56 49.96 o 10 -1 -2 32.24 5.33 30.34 < 10 -1 -1 518.33 538.11 57.43 o 10 -1 0 34.72 21.31 31.56 < 10 -1 1 526.13 411.99 71.03 o 10 -1 2 31.08 -3.63 26.35 < 10 -1 3 529.68 547.84 89.11 o 10 -1 4 30.92 -4.00 29.05 < 10 -1 5 339.05 376.63 58.36 o 10 -1 6 35.65 24.94 23.64 < 10 -1 7 395.88 288.29 61.72 o 10 -1 8 24.65 0.33 57.20 < 10 -1 9 145.38 102.35 31.86 o 10 -1 10 39.22 24.64 35.15 < 10 -1 11 222.93 114.89 40.96 < 10 -1 12 19.85 12.51 48.80 < 10 -1 13 65.78 42.26 55.58 < 10 -1 14 25.83 -49.06 76.59 < 10 0 -7 280.16 197.90 37.85 o 10 0 -6 68.27 -35.56 26.05 < 10 0 -5 385.27 379.20 52.88 o 10 0 -4 23.76 -5.74 34.23 < 10 0 -3 499.81 398.37 54.21 o 10 0 -2 46.95 6.85 27.90 < 10 0 -1 400.89 443.17 75.75 o 10 0 0 15.32 87.29 53.32 < 10 0 1 405.13 382.49 69.98 o 10 0 2 46.48 67.31 51.25 < 10 0 3 502.00 374.89 68.32 o 10 0 4 25.66 -31.19 30.49 < 10 0 5 393.02 375.56 67.39 o 10 0 6 67.42 -20.28 17.65 < 10 0 7 273.16 259.47 39.89 o 10 0 8 37.43 -10.69 25.42 < 10 0 9 149.32 215.80 36.71 o 10 0 10 48.20 8.66 44.44 < 10 0 11 130.33 205.73 93.84 < 10 0 12 32.92 72.04 69.78 < 10 0 13 50.34 8.07 56.61 < 10 0 14 28.47 -48.36 104.60 < 10 1 -7 41.72 8.51 16.02 < 10 1 -6 14426.10 13850.00 666.08 o 10 1 -5 16.77 -4.66 21.16 < 10 1 -4 15411.20 14555.20 700.17 o 10 1 -3 28.38 -6.55 21.35 < 10 1 -2 20700.60 19941.40 1348.95 o 10 1 -1 9.32 30.42 44.92 < 10 1 0 15144.80 15263.10 1037.94 o 10 1 1 10.14 -8.58 30.75 < 10 1 2 20476.20 22084.50 1489.27 o 10 1 3 27.36 8.10 51.28 < 10 1 4 15551.70 16339.20 778.82 o 10 1 5 17.24 -3.63 19.87 < 10 1 6 14116.10 14442.70 690.53 o 10 1 7 40.52 1.67 28.16 < 10 1 8 8154.05 9158.03 442.65 o 10 1 9 27.02 34.63 24.38 < 10 1 10 7765.32 8310.95 404.19 o 10 1 11 33.07 4.63 37.52 < 10 1 12 3674.56 3903.77 198.98 o 10 1 13 25.09 -95.46 85.92 < 10 2 -7 175.99 208.40 22.57 o 10 2 -6 50.78 1.04 24.01 < 10 2 -5 361.25 340.68 51.66 o 10 2 -4 27.80 -3.29 48.21 < 10 2 -3 304.98 271.55 68.54 o 10 2 -2 43.16 -21.02 33.08 < 10 2 -1 468.26 467.05 75.56 o 10 2 0 15.37 7.36 30.93 < 10 2 1 470.51 472.99 78.61 o 10 2 2 41.69 2.89 20.17 < 10 2 3 305.27 278.33 49.58 o 10 2 4 29.40 -58.80 42.44 < 10 2 5 361.91 376.02 44.56 o 10 2 6 48.34 -44.88 37.74 < 10 2 7 175.46 205.73 43.66 o 10 2 8 37.20 -40.15 25.86 < 10 2 9 195.82 252.36 51.62 o 10 2 10 57.88 -56.72 37.33 < 10 2 11 78.67 131.32 41.44 o 10 2 12 33.46 -7.70 44.55 < 10 2 13 95.22 40.81 45.14 < 10 3 -7 288.14 340.80 30.90 o 10 3 -6 42.04 60.05 41.22 < 10 3 -5 321.75 334.48 49.18 o 10 3 -4 24.92 56.91 66.90 < 10 3 -3 477.86 403.11 78.38 o 10 3 -2 20.92 -3.52 35.74 < 10 3 -1 376.01 248.97 70.72 o 10 3 0 22.70 16.91 45.10 < 10 3 1 377.18 304.40 44.85 o 10 3 2 20.21 -16.84 20.31 < 10 3 3 482.29 493.77 52.44 o 10 3 4 25.18 12.58 25.83 < 10 3 5 325.05 316.86 55.84 o 10 3 6 39.36 42.11 33.41 < 10 3 7 288.93 374.18 56.69 o 10 3 8 32.78 17.98 29.79 < 10 3 9 140.21 214.72 44.37 o 10 3 10 44.45 56.46 45.36 < 10 3 11 138.31 135.28 38.70 o 10 3 12 38.74 -20.87 46.55 < 10 3 13 55.73 4.33 58.80 < 10 4 -7 24.66 -17.87 21.57 < 10 4 -6 16594.20 14617.60 983.21 o 10 4 -4 9402.30 8836.32 621.11 o 10 4 -3 20.43 32.08 60.72 < 10 4 -2 26596.00 24694.30 1666.93 o 10 4 -1 11.67 -33.45 39.11 < 10 4 0 9789.18 10003.30 486.70 o 10 4 1 11.28 -10.51 28.34 < 10 4 2 26644.70 26670.40 1269.16 o 10 4 3 21.21 -24.35 21.79 < 10 4 4 9533.83 9540.01 465.05 o 10 4 5 12.66 -11.40 40.44 < 10 4 6 16780.40 17135.10 819.35 o 10 4 7 25.70 122.44 48.21 < 10 4 8 5108.61 5337.96 268.61 o 10 4 9 15.02 -5.81 44.88 < 10 4 10 7922.23 8327.68 407.52 o 10 4 11 19.48 -64.75 43.59 < 10 4 12 2347.08 2170.35 129.40 o 10 5 -7 202.62 244.41 30.53 o 10 5 -6 51.83 -28.97 27.08 < 10 5 -3 249.99 303.03 77.45 o 10 5 -2 49.87 -45.81 61.53 < 10 5 -1 275.42 240.03 46.62 o 10 5 0 29.43 37.45 40.00 < 10 5 1 277.64 284.57 46.78 o 10 5 2 49.66 -30.08 24.79 < 10 5 3 250.40 210.73 53.73 o 10 5 4 44.88 -19.39 40.74 < 10 5 5 140.29 152.31 41.96 o 10 5 6 52.08 -12.95 35.74 < 10 5 7 205.93 229.23 46.99 o 10 5 8 55.53 57.28 31.64 < 10 5 9 49.98 76.85 51.10 < 10 5 10 52.59 -72.30 43.55 < 10 5 11 115.98 61.50 47.99 < 10 5 12 45.51 18.72 46.66 < 10 6 -8 45.16 -26.05 25.94 < 10 6 -7 212.20 301.24 47.70 o 10 6 -6 51.21 -7.77 42.07 < 10 6 -5 144.08 155.52 39.44 o 10 6 -1 190.00 181.61 46.07 o 10 6 0 50.02 11.29 31.49 < 10 6 1 191.98 163.33 44.22 o 10 6 2 39.57 53.13 37.41 < 10 6 3 267.42 342.91 52.21 o 10 6 4 49.84 29.64 39.81 < 10 6 5 145.13 125.51 37.26 o 10 6 6 51.65 48.99 32.01 < 10 6 7 207.69 82.15 46.33 < 10 6 8 47.26 1.37 33.82 < 10 6 9 62.58 34.49 48.95 < 10 6 10 40.88 -51.21 42.00 < 10 6 11 134.04 72.63 46.81 < 10 7 -8 3079.53 2731.66 142.31 o 10 7 -7 21.25 15.28 33.75 < 10 7 -6 9382.69 9783.70 664.74 o 10 7 -5 23.19 39.00 37.33 < 10 7 -2 13247.00 16029.60 1078.44 o 10 7 -1 22.14 -13.84 32.23 < 10 7 0 4231.42 5207.53 371.84 o 10 7 1 22.26 -63.49 36.56 < 10 7 2 13234.60 14181.20 685.87 o 10 7 3 18.52 -20.35 28.27 < 10 7 4 4409.54 4575.87 237.07 o 10 7 5 22.80 -26.05 41.89 < 10 7 6 9389.17 9160.97 450.01 o 10 7 7 20.40 19.46 36.56 < 10 7 8 3011.90 3162.24 173.37 o 10 7 9 19.12 37.48 44.73 < 10 7 10 5201.48 4840.62 250.38 o 10 7 11 17.88 272.74 122.03 < 10 8 -8 43.78 18.83 36.48 < 10 8 -7 145.15 173.65 63.90 < 10 8 -6 40.92 36.56 48.81 < 10 8 -5 114.72 165.29 50.32 o 10 8 -4 39.42 -16.06 31.67 < 10 8 -2 42.14 -5.22 38.11 < 10 8 -1 153.61 175.13 65.90 < 10 8 0 36.34 -11.21 44.66 < 10 8 1 152.30 143.79 68.35 < 10 8 2 41.89 15.95 44.18 < 10 8 3 139.09 64.23 61.31 < 10 8 4 39.08 61.72 41.37 < 10 8 5 109.82 75.71 36.89 < 10 8 6 40.14 -28.27 36.15 < 10 8 7 146.88 162.14 66.45 < 10 8 8 42.45 10.55 50.65 < 10 8 9 69.97 52.88 64.98 < 10 8 10 37.67 -63.68 78.92 < 10 9 -8 35.83 19.50 51.95 < 10 9 -7 120.94 212.02 68.79 o 10 9 -6 44.26 -68.49 67.38 < 10 9 -5 66.46 15.98 38.15 < 10 9 -4 26.31 0.15 37.08 < 10 9 -3 134.50 242.66 46.62 o 10 9 -2 41.92 4.55 43.55 < 10 9 -1 94.14 114.26 86.99 < 10 9 0 19.73 18.43 90.99 < 10 9 1 91.14 141.53 90.91 < 10 9 2 42.38 21.42 60.31 < 10 9 3 137.87 81.52 68.16 < 10 9 4 25.58 -0.52 42.66 < 10 9 5 63.39 68.75 50.47 < 10 9 6 44.80 23.05 51.65 < 10 9 7 122.59 97.32 55.39 < 10 9 8 34.98 -49.43 55.06 < 10 9 9 31.14 92.50 96.65 < 10 10 -8 1245.07 789.02 112.20 o 10 10 -7 15.69 68.38 72.86 < 10 10 -6 5374.22 4635.00 333.55 o 10 10 -5 14.45 -3.55 54.61 < 10 10 -4 1783.67 1941.51 159.47 o 10 10 -3 19.16 52.87 39.96 < 10 10 -2 7419.09 8151.54 397.09 o 10 10 -1 18.27 6.44 54.61 < 10 10 0 1780.46 1839.59 164.30 o 10 10 1 18.80 -17.46 52.87 < 10 10 3 18.89 122.55 63.72 < 10 10 4 1785.40 2051.03 170.01 o 10 10 5 15.10 127.54 65.09 < 10 10 6 5396.97 5547.01 392.68 o 10 10 7 15.56 30.27 57.02 < 10 10 8 1220.82 940.12 119.03 o 11 -21 -6 42.27 64.20 98.46 < 11 -21 -5 87.98 -0.19 53.76 < 11 -21 -4 37.78 41.26 49.99 < 11 -21 -3 96.64 94.17 43.59 < 11 -21 -2 37.87 9.18 39.26 < 11 -21 -1 126.92 153.96 48.18 o 11 -21 0 35.27 -21.39 55.58 < 11 -21 1 129.12 99.83 60.35 < 11 -21 2 37.90 26.12 109.93 < 11 -21 3 95.99 85.69 50.21 < 11 -21 4 37.85 -56.46 56.02 < 11 -21 5 89.76 171.69 76.89 < 11 -21 6 42.35 209.54 79.70 < 11 -21 7 74.49 165.51 82.62 < 11 -20 -8 29.23 57.69 95.09 < 11 -20 -7 59.56 84.70 63.01 < 11 -20 -6 24.70 70.08 48.84 < 11 -20 -5 138.99 68.31 58.43 < 11 -20 -4 24.28 -4.59 39.92 < 11 -20 -3 115.46 112.34 41.40 < 11 -20 -2 22.49 -57.17 56.32 < 11 -20 -1 158.74 185.61 47.40 o 11 -20 0 23.44 30.05 54.24 < 11 -20 1 156.47 177.61 74.52 < 11 -20 2 22.50 15.36 84.22 < 11 -20 3 114.13 118.26 56.65 < 11 -20 4 24.15 -4.00 45.66 < 11 -20 5 139.95 44.22 85.55 < 11 -20 6 24.12 -63.01 58.43 < 11 -20 7 59.03 122.40 75.78 < 11 -20 8 27.59 98.46 91.76 < 11 -19 -9 14.70 -134.80 95.43 < 11 -19 -8 1914.19 1691.08 150.19 o 11 -19 -7 24.73 52.36 54.32 < 11 -19 -6 6660.94 6213.10 438.43 o 11 -19 -5 16.18 12.40 40.66 < 11 -19 -4 2748.39 3124.52 170.39 o 11 -19 -3 23.58 15.47 31.08 < 11 -19 -2 9174.00 10190.00 496.63 o 11 -19 -1 17.12 10.32 34.63 < 11 -19 0 2699.70 3206.37 173.84 o 11 -19 1 17.74 70.23 59.54 < 11 -19 2 9177.34 9857.05 681.83 o 11 -19 3 22.60 48.36 48.10 < 11 -19 4 2752.18 2995.63 244.80 o 11 -19 5 16.46 -16.54 47.25 < 11 -19 6 6686.95 7032.18 490.07 o 11 -19 7 23.85 125.51 75.37 < 11 -19 8 1893.61 2152.92 180.03 o 11 -19 9 14.97 36.89 84.73 < 11 -18 -9 52.51 -8.62 52.36 < 11 -18 -8 50.46 8.14 45.73 < 11 -18 -7 116.83 111.27 55.87 < 11 -18 -6 34.44 68.19 56.50 < 11 -18 -5 108.26 70.86 30.90 < 11 -18 -4 44.52 13.95 35.37 < 11 -18 -3 142.71 198.04 43.74 o 11 -18 -2 29.29 3.11 40.04 < 11 -18 -1 167.19 157.99 39.89 o 11 -18 0 42.57 -40.18 37.56 < 11 -18 1 166.58 70.79 47.07 < 11 -18 2 29.79 2.04 78.33 < 11 -18 3 142.75 164.84 63.31 < 11 -18 4 45.15 16.54 49.58 < 11 -18 5 105.61 78.82 65.16 < 11 -18 6 35.39 2.59 49.29 < 11 -18 7 118.10 236.07 72.78 o 11 -18 8 51.32 5.51 66.27 < 11 -18 9 50.76 62.20 60.05 < 11 -18 10 35.99 47.51 70.75 < 11 -17 -9 113.85 86.14 76.85 < 11 -17 -8 53.82 -56.13 46.03 < 11 -17 -7 86.19 62.75 46.40 < 11 -17 -6 37.34 7.07 29.31 < 11 -17 -5 133.59 189.82 44.26 o 11 -17 -4 42.17 3.40 25.86 < 11 -17 -3 163.17 150.71 34.78 o 11 -17 -2 22.61 25.49 29.31 < 11 -17 -1 188.58 180.80 35.41 o 11 -17 0 31.53 -8.25 26.94 < 11 -17 1 187.48 210.73 39.89 o 11 -17 2 22.68 3.52 39.74 < 11 -17 3 158.15 106.53 67.01 < 11 -17 4 42.39 -6.36 47.55 < 11 -17 5 134.27 64.09 48.10 < 11 -17 6 37.60 37.52 58.72 < 11 -17 7 84.93 126.14 63.16 < 11 -17 8 54.24 -12.88 64.94 < 11 -17 9 112.52 112.23 56.28 < 11 -17 10 42.90 -5.88 60.50 < 11 -16 -10 5272.96 4421.26 312.62 o 11 -16 -9 19.19 -4.18 40.15 < 11 -16 -8 3599.89 4208.61 312.19 o 11 -16 -7 19.65 -12.62 30.34 < 11 -16 -6 9761.49 9933.71 483.70 o 11 -16 -5 25.04 -45.07 25.27 < 11 -16 -4 5229.97 5699.34 285.32 o 11 -16 -3 21.65 27.79 23.01 < 11 -16 -2 14003.70 14854.20 710.62 o 11 -16 -1 24.94 -17.46 22.83 < 11 -16 0 4975.20 5245.52 262.72 o 11 -16 1 24.14 15.06 25.64 < 11 -16 2 13982.80 14450.30 691.48 o 11 -16 3 22.08 -6.70 38.48 < 11 -16 4 5214.31 5272.12 377.42 o 11 -16 5 23.98 15.69 51.73 < 11 -16 6 9738.21 9861.06 676.87 o 11 -16 7 19.81 -13.62 45.03 < 11 -16 8 3538.54 3636.28 272.98 o 11 -16 9 18.20 -35.26 52.10 < 11 -16 10 5256.51 4629.78 336.30 o 11 -16 11 15.33 -45.33 62.50 < 11 -15 -10 35.88 43.07 54.36 < 11 -15 -9 87.18 33.26 39.15 < 11 -15 -8 57.05 4.11 40.63 < 11 -15 -7 142.64 159.74 37.97 o 11 -15 -6 38.09 41.29 31.64 < 11 -15 -5 138.67 126.62 40.55 o 11 -15 -4 48.51 73.34 31.41 < 11 -15 -3 173.78 190.05 40.67 o 11 -15 -2 28.89 12.77 20.87 < 11 -15 -1 226.80 208.98 40.04 o 11 -15 0 46.85 8.29 20.76 < 11 -15 1 226.18 286.12 40.71 o 11 -15 2 29.26 1.04 28.71 < 11 -15 3 172.83 198.55 33.75 o 11 -15 4 48.64 -21.35 31.41 < 11 -15 5 135.45 64.39 49.51 < 11 -15 6 38.40 -31.04 39.48 < 11 -15 7 145.28 221.53 66.01 o 11 -15 8 57.54 89.73 80.96 < 11 -15 9 84.43 47.95 47.03 < 11 -15 10 36.58 59.09 52.95 < 11 -15 11 85.96 58.35 71.93 < 11 -15 12 40.72 63.35 80.66 < 11 -14 -10 54.53 29.71 41.04 < 11 -14 -9 146.91 24.94 42.29 < 11 -14 -8 60.92 12.62 48.40 < 11 -14 -7 98.81 97.69 34.30 < 11 -14 -6 51.97 -21.09 22.09 < 11 -14 -5 197.83 188.64 35.78 o 11 -14 -4 38.85 36.93 42.96 < 11 -14 -3 249.43 186.46 40.26 o 11 -14 -2 34.41 7.59 20.57 < 11 -14 -1 317.64 309.21 47.74 o 11 -14 0 21.62 -36.48 23.38 < 11 -14 1 314.31 357.93 43.55 o 11 -14 2 34.37 11.51 19.50 < 11 -14 3 247.57 232.68 44.92 o 11 -14 4 38.06 -19.57 29.38 < 11 -14 5 200.52 188.16 55.24 o 11 -14 6 52.08 25.83 38.48 < 11 -14 7 102.57 83.59 57.95 < 11 -14 8 60.27 -61.46 42.59 < 11 -14 9 146.72 112.45 61.50 < 11 -14 10 55.52 -35.41 50.10 < 11 -14 11 43.75 54.76 36.85 < 11 -14 12 51.19 -23.46 60.35 < 11 -13 -10 8007.79 7281.15 507.15 o 11 -13 -9 21.54 -41.63 55.43 < 11 -13 -8 5244.73 5725.10 406.03 o 11 -13 -7 27.19 -9.44 27.12 < 11 -13 -6 17529.10 17234.30 826.01 o 11 -13 -5 21.96 -8.33 19.35 < 11 -13 -4 10219.60 10156.30 490.46 o 11 -13 -3 24.36 32.34 35.23 < 11 -13 -2 28679.30 27748.20 1313.82 o 11 -13 -1 20.69 14.36 25.98 < 11 -13 0 10820.00 10707.90 517.35 o 11 -13 1 20.62 -3.55 19.13 < 11 -13 2 28813.50 27898.90 1324.67 o 11 -13 3 24.89 -5.81 21.50 < 11 -13 4 10381.80 9842.64 477.40 o 11 -13 5 22.24 11.40 27.05 < 11 -13 6 17771.10 17642.60 847.49 o 11 -13 7 28.14 -18.20 23.79 < 11 -13 8 5337.30 5689.67 285.39 o 11 -13 9 22.14 -13.69 42.40 < 11 -13 10 8187.38 8494.20 419.98 o 11 -13 11 21.65 -8.36 47.51 < 11 -13 12 2352.02 2257.18 132.18 o 11 -13 13 14.66 137.31 83.96 < 11 -12 -10 42.34 52.28 47.14 < 11 -12 -9 212.63 107.42 50.95 < 11 -12 -8 47.27 16.91 23.35 < 11 -12 -7 246.51 207.41 39.41 o 11 -12 -6 46.15 22.87 30.05 < 11 -12 -5 339.79 303.94 44.59 o 11 -12 -4 32.14 -2.22 26.35 < 11 -12 -3 373.32 424.33 44.30 o 11 -12 -2 40.94 0.59 17.35 < 11 -12 -1 508.80 508.86 46.99 o 11 -12 0 32.50 43.03 32.19 < 11 -12 1 505.40 501.34 48.19 o 11 -12 2 41.55 -3.44 24.12 < 11 -12 3 371.88 440.95 45.36 o 11 -12 4 30.76 15.17 28.31 < 11 -12 5 337.16 397.85 60.54 o 11 -12 6 46.28 -3.40 30.08 < 11 -12 7 250.14 310.55 50.58 o 11 -12 8 45.07 48.14 39.63 < 11 -12 9 212.62 352.87 56.39 o 11 -12 10 42.25 15.28 35.74 < 11 -12 11 131.67 130.65 42.88 o 11 -12 12 40.24 36.48 49.17 < 11 -12 13 105.82 197.07 77.70 < 11 -11 -10 26.87 41.15 47.66 < 11 -11 -9 332.76 291.59 71.94 o 11 -11 -8 37.15 13.47 29.49 < 11 -11 -7 101.29 139.90 34.19 o 11 -11 -6 23.84 -17.72 35.00 < 11 -11 -5 414.49 388.86 41.08 o 11 -11 -4 40.44 -17.61 22.98 < 11 -11 -3 307.80 242.67 39.93 o 11 -11 -2 16.34 -17.72 16.91 < 11 -11 -1 496.98 478.95 46.07 o 11 -11 0 39.11 -0.30 19.28 < 11 -11 1 492.92 495.17 49.14 o 11 -11 2 16.86 36.78 24.86 < 11 -11 3 299.26 256.45 47.07 o 11 -11 4 40.34 4.55 28.34 < 11 -11 5 417.75 473.06 51.81 o 11 -11 6 24.33 -4.29 33.19 < 11 -11 7 97.47 58.35 40.55 < 11 -11 8 36.30 -20.20 33.41 < 11 -11 9 337.55 403.63 72.93 o 11 -11 10 26.72 -39.37 44.81 < 11 -11 11 42.93 45.44 47.07 < 11 -11 12 26.08 3.77 63.83 < 11 -11 13 178.25 96.91 61.20 < 11 -10 -10 7991.30 7614.23 530.72 o 11 -10 -9 26.69 -36.48 48.25 < 11 -10 -8 8138.11 9134.08 442.49 o 11 -10 -7 41.70 30.08 37.96 < 11 -10 -6 14422.80 15163.90 724.31 o 11 -10 -5 16.77 8.70 19.50 < 11 -10 -4 15438.50 14573.80 695.26 o 11 -10 -3 28.37 -4.74 16.21 < 11 -10 -2 20678.00 19804.80 941.68 o 11 -10 -1 9.34 20.79 23.75 < 11 -10 0 15145.50 14857.40 711.37 o 11 -10 1 10.11 -6.29 22.13 < 11 -10 2 20500.40 21475.40 1025.25 o 11 -10 3 27.36 -4.44 20.02 < 11 -10 4 15529.60 17287.10 826.35 o 11 -10 5 17.23 -5.40 22.83 < 11 -10 6 14118.60 15807.00 757.47 o 11 -10 7 40.54 -45.77 26.97 < 11 -10 8 8159.98 9432.43 461.14 o 11 -10 9 27.03 39.15 46.18 < 11 -10 10 7763.15 8982.51 442.44 o 11 -10 11 33.09 24.12 59.83 < 11 -10 12 3684.41 4621.31 243.94 o 11 -10 13 25.11 14.50 49.47 < 11 -9 -10 24.99 -38.63 73.41 < 11 -9 -9 353.61 236.71 62.20 o 11 -9 -8 28.99 9.62 28.68 < 11 -9 -7 132.96 85.48 28.75 < 11 -9 -6 26.57 -12.99 23.42 < 11 -9 -5 498.84 520.57 50.10 o 11 -9 -4 14.98 4.77 15.98 < 11 -9 -3 320.16 250.05 43.41 o 11 -9 -2 36.87 -13.43 17.58 < 11 -9 -1 639.49 636.21 54.80 o 11 -9 0 16.76 23.94 26.31 < 11 -9 1 630.06 706.54 62.89 o 11 -9 2 38.58 5.66 26.34 < 11 -9 3 316.23 267.79 51.14 o 11 -9 4 14.46 76.41 32.27 < 11 -9 5 495.89 612.27 57.22 o 11 -9 6 28.50 5.40 23.16 < 11 -9 7 129.99 191.41 46.33 o 11 -9 8 27.71 -24.68 43.74 < 11 -9 9 356.46 355.21 58.76 o 11 -9 10 26.12 33.49 43.85 < 11 -9 11 65.07 77.15 38.89 < 11 -9 12 26.32 -0.67 52.95 < 11 -9 13 173.72 196.59 63.46 o 11 -9 14 23.23 -59.57 99.31 < 11 -8 -10 32.85 -70.60 54.98 < 11 -8 -9 302.75 247.74 64.09 o 11 -8 -8 47.31 -8.36 27.86 < 11 -8 -7 147.07 155.63 34.19 o 11 -8 -6 29.03 -1.44 17.95 < 11 -8 -5 433.83 414.68 44.11 o 11 -8 -4 47.34 -2.15 18.20 < 11 -8 -3 382.80 356.33 40.82 o 11 -8 -2 19.87 -0.59 20.05 < 11 -8 -1 633.93 723.27 66.21 o 11 -8 0 39.77 0.19 24.50 < 11 -8 1 620.62 657.35 61.73 o 11 -8 2 20.73 20.35 22.83 < 11 -8 3 380.93 434.85 57.28 o 11 -8 4 46.56 -2.92 40.74 < 11 -8 5 427.89 416.73 47.55 o 11 -8 6 30.61 23.27 22.13 < 11 -8 7 147.23 195.08 42.33 o 11 -8 8 46.44 -21.90 26.75 < 11 -8 9 301.01 375.11 52.14 o 11 -8 10 34.10 53.50 45.03 < 11 -8 11 62.10 33.71 34.89 < 11 -8 12 33.67 13.25 55.32 < 11 -8 13 142.76 -6.66 63.50 < 11 -8 14 25.55 124.58 63.61 < 11 -7 -10 11391.80 11166.00 766.90 o 11 -7 -9 32.01 68.34 54.36 < 11 -7 -8 4980.75 5092.55 254.67 o 11 -7 -7 13.02 -21.05 27.05 < 11 -7 -6 23905.30 23923.00 1135.33 o 11 -7 -5 33.96 -16.91 22.57 < 11 -7 -4 6443.33 6424.49 320.17 o 11 -7 -3 2.08 -17.95 16.10 < 11 -7 -2 38811.20 38072.40 1824.16 o 11 -7 -1 12.74 -20.65 19.72 < 11 -7 0 4600.69 4755.47 242.99 o 11 -7 1 12.86 -8.21 21.13 < 11 -7 2 38919.30 39852.60 1892.21 o 11 -7 3 2.23 39.48 34.74 < 11 -7 4 6338.28 6487.80 320.82 o 11 -7 5 34.00 11.51 20.39 < 11 -7 6 23927.90 24393.50 1159.47 o 11 -7 7 13.05 -1.52 29.75 < 11 -7 8 4733.46 4915.32 250.28 o 11 -7 9 31.78 -6.25 37.82 < 11 -7 10 11398.20 12308.50 595.89 o 11 -7 11 20.26 -12.77 61.57 < 11 -7 12 2680.67 2984.96 166.54 o 11 -7 13 21.72 69.97 72.45 < 11 -7 14 4595.45 4411.51 240.42 o 11 -6 -10 48.16 11.88 74.15 < 11 -6 -9 173.95 167.14 63.94 < 11 -6 -8 65.36 29.19 40.59 < 11 -6 -7 282.41 357.20 41.41 o 11 -6 -6 54.88 -10.18 17.58 < 11 -6 -5 297.95 331.47 40.63 o 11 -6 -4 25.36 6.66 16.72 < 11 -6 -3 572.10 611.08 68.88 o 11 -6 -2 51.81 24.27 26.86 < 11 -6 -1 673.74 654.04 64.95 o 11 -6 0 2.90 -10.51 33.82 < 11 -6 1 662.85 640.74 59.74 o 11 -6 2 53.09 -35.97 33.89 < 11 -6 3 574.38 616.48 60.50 o 11 -6 4 22.96 -19.98 19.24 < 11 -6 5 295.64 330.90 48.59 o 11 -6 6 56.92 21.68 32.78 < 11 -6 7 291.84 436.23 50.99 o 11 -6 8 63.22 50.29 38.30 < 11 -6 9 170.30 166.48 46.55 o 11 -6 10 50.59 22.39 40.59 < 11 -6 11 126.39 155.45 52.36 < 11 -6 12 55.35 7.03 39.04 < 11 -6 13 77.36 -15.32 56.39 < 11 -6 14 38.68 -22.72 56.95 < 11 -5 -9 219.17 267.16 73.41 o 11 -5 -8 54.04 18.50 30.82 < 11 -5 -7 261.32 326.67 45.96 o 11 -5 -6 31.43 28.12 22.72 < 11 -5 -5 408.20 413.82 45.00 o 11 -5 -4 54.23 11.43 24.94 < 11 -5 -3 557.27 588.37 62.03 o 11 -5 -2 16.49 -25.05 26.64 < 11 -5 -1 719.99 741.57 67.83 o 11 -5 0 42.58 29.56 34.04 < 11 -5 1 717.66 619.30 58.00 o 11 -5 2 17.19 4.74 28.42 < 11 -5 3 555.81 594.30 64.61 o 11 -5 4 53.09 9.44 19.76 < 11 -5 5 410.67 405.45 48.07 o 11 -5 6 33.38 -10.69 26.86 < 11 -5 7 265.88 242.00 46.77 o 11 -5 8 52.61 24.79 48.99 < 11 -5 9 221.36 182.80 47.62 o 11 -5 10 43.06 9.69 41.85 < 11 -5 11 108.07 176.50 53.87 o 11 -5 12 40.31 -57.91 63.05 < 11 -5 13 91.83 108.71 45.88 < 11 -5 14 31.37 47.51 80.74 < 11 -4 -9 16.59 20.35 59.91 < 11 -4 -8 8146.37 7886.27 383.27 o 11 -4 -7 16.06 5.25 25.86 < 11 -4 -6 30127.80 28042.00 1329.15 o 11 -4 -5 15.66 -2.37 18.24 < 11 -4 -4 16428.50 17172.40 821.95 o 11 -4 -3 10.99 24.20 29.34 < 11 -4 -2 52214.50 55105.70 2599.81 o 11 -4 -1 9.03 1.30 26.79 < 11 -4 0 16065.80 16381.00 786.82 o 11 -4 1 9.48 -14.43 28.16 < 11 -4 2 52535.50 49894.90 2361.05 o 11 -4 3 10.59 -25.53 28.60 < 11 -4 4 16548.30 15256.50 731.14 o 11 -4 5 15.92 19.80 26.57 < 11 -4 6 30400.60 28410.40 1347.47 o 11 -4 7 16.00 -36.11 27.01 < 11 -4 8 8143.91 7687.13 379.44 o 11 -4 9 16.88 -2.15 32.01 < 11 -4 10 13187.20 13374.60 647.72 o 11 -4 11 13.51 -17.91 35.97 < 11 -4 12 3477.69 3329.55 184.96 o 11 -4 13 11.75 -60.42 48.14 < 11 -4 14 4869.70 4742.39 252.88 o 11 -3 -9 210.96 219.31 72.30 o 11 -3 -8 47.49 -31.45 26.60 < 11 -3 -7 206.26 250.04 47.03 o 11 -3 -6 37.34 -25.60 24.79 < 11 -3 -5 279.64 245.30 41.15 o 11 -3 -4 31.90 -18.94 19.68 < 11 -3 -3 396.52 445.84 52.44 o 11 -3 -2 26.58 -3.70 21.50 < 11 -3 -1 481.89 504.80 61.32 o 11 -3 0 13.61 12.14 21.83 < 11 -3 1 475.60 484.26 55.59 o 11 -3 2 27.47 1.92 20.28 < 11 -3 3 390.30 320.97 47.29 o 11 -3 4 31.04 -5.22 19.65 < 11 -3 5 280.11 256.33 42.15 o 11 -3 6 39.00 13.21 22.28 < 11 -3 7 207.88 187.78 41.37 o 11 -3 8 46.75 2.44 32.67 < 11 -3 9 210.14 180.13 43.85 o 11 -3 10 37.27 28.60 31.93 < 11 -3 11 115.72 110.08 42.74 < 11 -3 12 35.55 -21.24 49.84 < 11 -3 13 103.71 107.60 55.65 < 11 -3 14 28.15 25.53 64.46 < 11 -2 -8 35.44 -9.32 43.62 < 11 -2 -7 263.30 226.77 48.51 o 11 -2 -6 28.45 -0.37 22.35 < 11 -2 -5 355.80 334.81 45.37 o 11 -2 -4 42.62 -5.62 20.72 < 11 -2 -3 428.95 457.12 53.11 o 11 -2 -2 25.95 -15.76 26.60 < 11 -2 -1 526.90 500.77 55.62 o 11 -2 0 30.43 -28.23 26.53 < 11 -2 1 523.20 581.74 63.33 o 11 -2 2 25.85 28.94 40.66 < 11 -2 3 428.91 558.21 60.39 o 11 -2 4 42.82 18.87 37.71 < 11 -2 5 349.67 356.74 46.04 o 11 -2 6 29.42 22.72 39.37 < 11 -2 7 265.89 232.45 44.18 o 11 -2 8 35.18 -3.77 25.79 < 11 -2 9 198.62 216.73 47.03 o 11 -2 10 34.34 23.24 45.03 < 11 -2 11 138.15 160.22 49.29 o 11 -2 12 25.43 -14.91 49.51 < 11 -2 13 103.96 62.31 63.57 < 11 -2 14 22.97 52.95 153.30 < 11 -1 -8 7758.32 6711.04 487.35 o 11 -1 -7 18.85 -14.65 21.53 < 11 -1 -6 20663.70 20986.50 999.63 o 11 -1 -5 48.78 22.61 22.09 < 11 -1 -4 14647.90 13220.30 638.41 o 11 -1 -3 33.46 21.54 30.79 < 11 -1 -2 32894.40 32398.30 1537.82 o 11 -1 -1 50.71 27.34 21.24 < 11 -1 0 14418.70 13906.50 675.61 o 11 -1 1 50.87 -17.87 31.19 < 11 -1 2 32942.50 35618.80 2382.90 o 11 -1 3 32.89 9.18 29.75 < 11 -1 4 14752.10 15746.90 1069.69 o 11 -1 5 48.77 6.14 55.24 < 11 -1 6 20681.30 22296.30 1501.09 o 11 -1 7 18.27 -6.73 25.97 < 11 -1 8 7781.50 6385.65 442.84 o 11 -1 9 31.22 -34.00 44.51 < 11 -1 10 9908.74 9208.44 456.58 o 11 -1 11 11.14 -10.21 38.67 < 11 -1 12 3477.00 3323.92 183.30 o 11 -1 13 18.65 -14.87 59.46 < 11 0 -7 101.14 35.26 26.31 < 11 0 -6 23.94 -18.80 22.76 < 11 0 -5 414.83 388.21 47.62 o 11 0 -4 40.54 -4.22 23.64 < 11 0 -3 307.27 231.06 44.07 o 11 0 -2 16.39 19.02 22.09 < 11 0 -1 497.37 430.67 76.82 o 11 0 0 39.12 -1.07 32.82 < 11 0 1 492.52 465.52 76.72 o 11 0 2 16.81 18.06 32.56 < 11 0 3 299.78 292.10 90.03 o 11 0 4 40.25 -9.18 32.15 < 11 0 5 417.37 386.60 89.70 o 11 0 6 24.24 -7.73 52.88 < 11 0 7 97.62 33.49 37.37 < 11 0 8 36.15 -15.80 42.26 < 11 0 9 337.40 420.66 106.24 o 11 0 10 26.64 -18.69 87.47 < 11 0 11 42.98 72.00 77.63 < 11 0 12 25.98 -5.70 63.42 < 11 0 13 178.26 170.88 66.27 < 11 1 -7 117.28 102.94 42.37 < 11 1 -6 34.07 26.75 26.12 < 11 1 -5 354.20 297.98 46.48 o 11 1 -4 39.86 28.31 23.31 < 11 1 -3 201.82 155.05 51.95 < 11 1 -2 22.79 -8.99 53.76 < 11 1 -1 369.33 312.74 72.52 o 11 1 0 28.54 -51.17 55.61 < 11 1 1 372.14 316.31 94.67 o 11 1 2 21.12 -30.42 34.41 < 11 1 3 198.53 27.31 57.65 < 11 1 4 40.38 0.70 36.11 < 11 1 5 353.94 263.26 42.11 o 11 1 6 31.94 -7.03 23.57 < 11 1 7 114.05 76.22 43.59 < 11 1 8 36.46 14.65 31.27 < 11 1 9 250.44 143.39 40.70 o 11 1 10 45.34 44.37 47.07 < 11 1 11 49.10 77.52 59.42 < 11 1 12 29.26 -7.73 65.05 < 11 1 13 146.67 111.19 125.92 < 11 2 -7 31.34 -21.20 41.29 < 11 2 -6 10943.60 10146.00 493.07 o 11 2 -5 31.18 -16.39 41.37 < 11 2 -4 11471.00 10221.30 500.45 o 11 2 -3 43.06 4.59 40.33 < 11 2 -2 16493.30 15774.60 1072.90 o 11 2 -1 48.79 -21.28 34.71 < 11 2 0 11899.50 11510.40 792.42 o 11 2 1 47.37 -47.10 57.83 < 11 2 2 16452.50 16885.60 1146.59 o 11 2 3 45.02 8.95 27.16 < 11 2 4 11574.50 12366.60 595.21 o 11 2 5 30.62 25.05 34.45 < 11 2 6 10875.90 11886.80 573.41 o 11 2 7 33.04 -18.46 37.26 < 11 2 8 6361.45 6701.35 332.22 o 11 2 9 15.71 -2.66 53.06 < 11 2 10 5653.77 6486.98 321.59 o 11 2 11 17.80 -21.28 60.90 < 11 2 12 2977.20 3064.47 171.38 o 11 3 -7 120.73 216.54 31.38 o 11 3 -6 34.88 13.88 27.05 < 11 3 -5 259.85 258.76 48.40 o 11 3 -4 49.19 18.87 44.25 < 11 3 -3 295.23 115.97 91.92 < 11 3 -2 21.21 -11.40 39.89 < 11 3 -1 383.21 260.67 73.31 o 11 3 0 41.99 -16.69 37.82 < 11 3 1 379.28 189.76 81.22 < 11 3 2 21.62 -10.43 32.82 < 11 3 3 293.79 262.91 44.37 o 11 3 4 48.73 9.07 29.71 < 11 3 5 260.14 218.39 44.00 o 11 3 6 35.77 23.50 34.67 < 11 3 7 123.26 153.89 43.40 o 11 3 8 55.10 11.62 36.41 < 11 3 9 181.56 106.38 43.74 < 11 3 10 37.33 -6.81 41.44 < 11 3 11 45.08 32.23 42.59 < 11 3 12 41.39 -32.56 62.79 < 11 4 -7 160.11 146.79 28.97 o 11 4 -6 35.52 13.28 30.34 < 11 4 -4 62.55 -38.93 47.36 < 11 4 -3 222.44 107.72 49.25 < 11 4 -2 24.99 10.47 43.18 < 11 4 -1 271.92 287.02 74.19 o 11 4 0 44.99 -6.66 40.52 < 11 4 1 276.23 218.59 42.93 o 11 4 2 24.22 9.58 29.01 < 11 4 3 222.07 181.64 39.30 o 11 4 4 62.88 36.11 26.35 < 11 4 5 179.64 267.94 47.55 o 11 4 6 35.10 13.76 28.60 < 11 4 7 161.19 213.50 46.99 o 11 4 8 63.35 24.13 48.36 < 11 4 9 87.54 94.13 46.62 < 11 4 10 48.54 -64.38 40.81 < 11 4 11 80.49 37.59 62.20 < 11 4 12 52.85 188.19 86.36 < 11 5 -8 2236.51 1990.94 103.18 o 11 5 -7 17.43 -28.53 27.57 < 11 5 -6 9803.76 10606.20 716.22 o 11 5 -3 19.14 51.25 46.88 < 11 5 -2 14060.00 12602.30 868.68 o 11 5 -1 16.42 -83.48 64.75 < 11 5 0 2646.85 3002.68 164.97 o 11 5 1 17.15 48.62 37.45 < 11 5 2 14041.90 14835.80 715.74 o 11 5 3 18.01 28.71 28.12 < 11 5 4 2967.33 3269.49 176.27 o 11 5 5 19.01 35.74 34.71 < 11 5 6 9788.73 10044.10 489.41 o 11 5 7 16.34 -16.91 39.15 < 11 5 8 2159.40 2793.70 162.39 o 11 5 9 19.14 -38.85 60.31 < 11 5 10 5446.40 5591.23 285.94 o 11 5 11 16.67 3.00 61.20 < 11 6 -8 46.64 10.10 25.35 < 11 6 -7 68.41 45.96 38.26 < 11 6 -6 43.13 -4.92 33.78 < 11 6 -1 260.65 200.15 78.49 < 11 6 0 38.98 5.74 44.51 < 11 6 1 254.49 269.19 64.20 o 11 6 2 38.44 -11.43 29.71 < 11 6 3 162.46 205.73 49.32 o 11 6 4 41.01 -18.98 31.27 < 11 6 5 227.13 157.82 62.68 < 11 6 6 43.19 2.29 48.18 < 11 6 7 67.84 115.26 43.18 < 11 6 8 45.14 43.51 51.43 < 11 6 9 185.28 235.26 58.20 o 11 6 10 44.61 -13.62 46.58 < 11 7 -8 30.19 -15.54 36.41 < 11 7 -7 114.45 61.54 48.99 < 11 7 -6 29.52 -21.31 32.75 < 11 7 -5 195.62 206.02 51.51 o 11 7 -1 211.74 157.62 80.40 < 11 7 0 25.25 -28.05 61.46 < 11 7 1 211.47 223.84 62.28 o 11 7 2 31.72 -1.81 34.60 < 11 7 3 157.21 174.98 43.48 o 11 7 4 29.89 -101.50 47.99 < 11 7 5 193.08 209.29 45.74 o 11 7 6 29.86 -40.96 37.30 < 11 7 7 115.17 60.72 47.47 < 11 7 8 29.41 1.67 54.65 < 11 7 9 124.78 83.22 55.47 < 11 7 10 29.31 -103.49 65.34 < 11 8 -8 2398.25 1827.84 110.66 o 11 8 -7 13.24 -45.07 61.31 < 11 8 -6 7252.15 6816.62 471.33 o 11 8 -5 18.09 -2.89 38.11 < 11 8 -4 3679.13 4139.15 297.41 o 11 8 -1 13.09 1.07 46.55 < 11 8 0 3770.19 4690.50 338.94 o 11 8 1 12.78 -1.55 59.72 < 11 8 2 10137.60 11910.60 816.58 o 11 8 3 10.78 -82.59 82.81 < 11 8 4 3704.24 3797.93 203.45 o 11 8 5 17.83 -19.39 38.48 < 11 8 6 7288.41 7017.69 351.63 o 11 8 7 13.52 3.03 62.31 < 11 8 8 2404.20 2345.31 193.29 o 11 8 9 17.06 42.55 75.30 < 11 9 -8 40.97 -123.70 80.44 < 11 9 -7 43.22 3.26 47.55 < 11 9 -6 60.18 -17.43 42.77 < 11 9 -5 87.48 61.87 46.07 < 11 9 -4 33.72 27.57 55.47 < 11 9 -3 94.27 45.44 43.11 < 11 9 -2 55.17 31.75 50.14 < 11 9 -1 116.07 98.57 54.84 < 11 9 0 29.65 -0.96 54.87 < 11 9 1 117.72 144.71 72.19 < 11 9 2 55.11 -17.83 68.19 < 11 9 3 91.25 128.54 61.02 < 11 9 4 33.63 -20.94 53.21 < 11 9 5 89.68 63.64 55.54 < 11 9 6 59.97 -39.59 54.76 < 11 9 7 42.57 83.22 99.24 < 11 9 8 40.88 -13.65 68.86 < 11 10 -6 55.98 -29.90 64.05 < 11 10 -5 75.89 67.38 54.76 < 11 10 -4 38.02 45.22 62.79 < 11 10 -3 88.09 152.23 88.18 < 11 10 -2 47.89 56.54 41.92 < 11 10 -1 102.19 -36.96 76.74 < 11 10 0 29.59 8.73 57.09 < 11 10 1 103.03 96.43 64.75 < 11 10 2 47.61 3.74 66.82 < 11 10 3 89.76 -7.84 53.95 < 11 10 4 37.57 -18.17 52.62 < 11 10 5 75.53 96.02 60.61 < 11 10 6 56.16 65.05 71.56 < 11 10 7 71.07 246.54 119.88 < 11 11 -4 1646.90 1488.74 153.49 o 11 11 -3 3.27 73.23 102.16 < 11 11 -2 4209.62 4413.71 230.24 o 11 11 -1 3.03 41.85 42.14 < 11 11 0 1668.11 2034.92 172.51 o 11 11 1 3.18 -52.69 60.13 < 11 11 2 4192.04 4985.74 362.98 o 11 11 3 3.19 11.80 55.65 < 11 11 4 1646.90 1833.93 158.28 o 11 11 5 2.21 -34.97 80.81 < 12 -23 -2 44.30 135.50 78.55 < 12 -23 -1 66.10 -38.11 64.09 < 12 -23 0 22.02 -97.68 66.16 < 12 -23 1 67.14 -34.71 80.55 < 12 -23 2 44.54 22.50 66.05 < 12 -22 -4 28.04 43.18 66.45 < 12 -22 -3 81.87 98.42 50.29 < 12 -22 -2 34.95 17.02 41.85 < 12 -22 -1 75.46 123.66 45.73 < 12 -22 0 22.31 -23.42 42.88 < 12 -22 1 74.68 118.07 45.25 < 12 -22 2 34.62 52.88 102.72 < 12 -22 3 84.10 107.49 60.76 < 12 -22 4 27.59 -21.39 71.56 < 12 -22 5 62.36 19.57 71.71 < 12 -21 -6 787.13 474.97 95.33 o 12 -21 -5 14.11 106.90 84.47 < 12 -21 -4 7337.47 7749.79 385.21 o 12 -21 -3 3.79 -11.10 39.33 < 12 -21 -2 889.45 867.10 75.38 o 12 -21 -1 5.48 65.90 44.44 < 12 -21 0 9292.39 9853.09 480.11 o 12 -21 1 5.90 4.26 47.32 < 12 -21 2 905.66 985.67 116.94 o 12 -21 3 3.65 56.98 53.80 < 12 -21 4 7405.75 7632.81 532.65 o 12 -21 5 14.96 -12.84 54.06 < 12 -21 6 803.94 687.34 97.99 o 12 -20 -7 53.66 68.90 91.28 < 12 -20 -6 49.47 78.92 74.19 < 12 -20 -5 159.95 84.25 47.81 < 12 -20 -4 36.73 -29.16 34.82 < 12 -20 -3 98.66 118.18 44.40 < 12 -20 -2 45.29 92.43 41.59 < 12 -20 -1 156.29 186.53 53.69 o 12 -20 0 32.27 32.75 53.32 < 12 -20 1 154.70 284.43 61.83 o 12 -20 2 45.03 22.87 54.24 < 12 -20 3 97.06 48.95 71.08 < 12 -20 4 35.64 28.94 47.10 < 12 -20 5 159.31 149.12 73.52 < 12 -20 6 48.75 -6.59 57.76 < 12 -20 7 51.59 111.38 78.78 < 12 -20 8 41.16 83.44 98.39 < 12 -19 -9 43.04 202.95 117.48 < 12 -19 -8 37.06 13.69 52.14 < 12 -19 -7 121.20 63.61 66.57 < 12 -19 -6 45.26 3.48 56.32 < 12 -19 -5 98.39 141.27 40.85 o 12 -19 -4 34.76 -37.56 31.90 < 12 -19 -3 149.08 195.56 45.44 o 12 -19 -2 44.58 38.81 49.73 < 12 -19 -1 132.97 128.51 41.70 o 12 -19 0 31.62 -23.83 32.04 < 12 -19 1 133.17 206.73 43.55 o 12 -19 2 45.05 11.84 30.71 < 12 -19 3 149.88 29.08 48.73 < 12 -19 4 35.50 49.80 60.90 < 12 -19 5 98.64 131.80 62.79 < 12 -19 6 46.41 -10.55 61.57 < 12 -19 7 120.10 44.70 61.13 < 12 -19 8 38.50 -50.95 60.28 < 12 -19 9 43.39 40.63 68.79 < 12 -18 -9 12.50 73.30 77.00 < 12 -18 -8 5932.70 4717.67 340.67 o 12 -18 -7 11.97 -7.36 69.71 < 12 -18 -6 1274.30 1431.71 93.28 o 12 -18 -5 7.60 16.98 31.30 < 12 -18 -4 9009.95 9649.70 470.98 o 12 -18 -3 3.77 19.43 38.48 < 12 -18 -2 1158.28 1322.49 85.68 o 12 -18 -1 1.77 -13.21 27.94 < 12 -18 0 11469.90 12628.30 606.48 o 12 -18 1 1.96 65.57 47.99 < 12 -18 2 1167.83 1327.63 96.26 o 12 -18 3 3.52 -10.32 34.71 < 12 -18 4 8917.95 8994.22 623.69 o 12 -18 5 7.62 -30.34 52.43 < 12 -18 6 1264.15 1401.95 128.81 o 12 -18 7 11.58 35.45 49.88 < 12 -18 8 5880.90 5447.32 392.17 o 12 -18 9 12.14 17.65 72.00 < 12 -18 10 931.92 1020.03 130.66 o 12 -17 -10 45.48 -12.40 61.35 < 12 -17 -9 101.62 69.42 64.12 < 12 -17 -8 36.16 -37.45 51.77 < 12 -17 -7 99.61 54.02 40.41 < 12 -17 -6 44.95 -4.77 34.30 < 12 -17 -5 144.46 114.15 41.85 < 12 -17 -4 29.66 17.72 27.27 < 12 -17 -3 154.61 123.88 39.41 o 12 -17 -2 45.22 -3.59 28.27 < 12 -17 -1 189.40 189.68 44.26 o 12 -17 0 22.07 -22.02 39.07 < 12 -17 1 190.70 185.19 39.78 o 12 -17 2 45.23 2.11 26.27 < 12 -17 3 152.34 180.50 39.56 o 12 -17 4 30.16 5.40 29.08 < 12 -17 5 144.36 57.17 68.71 < 12 -17 6 45.19 7.22 43.66 < 12 -17 7 99.88 117.48 55.32 < 12 -17 8 36.27 -21.83 68.19 < 12 -17 9 100.76 24.27 57.65 < 12 -17 10 45.43 9.40 63.49 < 12 -16 -10 41.01 25.31 47.44 < 12 -16 -9 58.99 35.11 69.71 < 12 -16 -8 37.84 -110.86 82.85 < 12 -16 -7 199.30 263.75 45.07 o 12 -16 -6 41.03 -14.47 27.57 < 12 -16 -5 125.40 116.41 33.82 o 12 -16 -4 33.03 2.89 23.98 < 12 -16 -3 217.57 192.78 43.51 o 12 -16 -2 40.19 47.95 37.96 < 12 -16 -1 171.10 237.30 41.44 o 12 -16 0 27.96 9.18 37.22 < 12 -16 1 172.30 149.56 31.82 o 12 -16 2 40.16 10.03 24.12 < 12 -16 3 216.59 205.74 42.70 o 12 -16 4 33.62 -0.63 27.38 < 12 -16 5 123.14 168.28 52.32 o 12 -16 6 40.86 -3.63 30.90 < 12 -16 7 198.25 151.16 86.85 < 12 -16 8 37.83 -43.48 60.05 < 12 -16 9 56.87 38.15 42.29 < 12 -16 10 40.26 113.08 50.03 < 12 -16 11 133.79 39.19 62.42 < 12 -15 -11 15.66 16.43 44.18 < 12 -15 -10 1492.42 1390.29 135.40 o 12 -15 -9 8.51 -7.40 41.70 < 12 -15 -8 8671.12 8820.49 615.16 o 12 -15 -7 18.33 -3.33 31.08 < 12 -15 -6 2217.63 2368.22 131.16 o 12 -15 -5 8.74 6.25 36.22 < 12 -15 -4 13771.40 13535.20 649.52 o 12 -15 -3 16.51 -5.11 27.97 < 12 -15 -2 2069.00 2126.65 120.33 o 12 -15 -1 12.12 27.60 23.05 < 12 -15 0 18372.70 18998.00 905.59 o 12 -15 1 12.28 62.87 36.00 < 12 -15 2 2087.53 1946.16 111.98 o 12 -15 3 16.84 -16.54 22.24 < 12 -15 4 13620.20 14036.70 675.95 o 12 -15 5 9.09 -9.55 26.34 < 12 -15 6 2199.21 2356.16 130.80 o 12 -15 7 18.72 -59.05 35.23 < 12 -15 8 8603.78 9123.73 445.45 o 12 -15 9 8.37 -59.39 46.88 < 12 -15 10 1471.75 1565.76 99.27 o 12 -15 11 15.81 35.71 53.10 < 12 -14 -11 60.25 13.88 64.75 < 12 -14 -10 59.68 74.48 54.02 < 12 -14 -9 117.07 72.45 60.76 < 12 -14 -8 60.51 7.36 43.03 < 12 -14 -7 143.27 118.81 36.67 o 12 -14 -6 46.40 -0.67 23.90 < 12 -14 -5 211.85 203.71 49.51 o 12 -14 -4 57.38 -22.83 21.79 < 12 -14 -3 257.36 194.67 40.92 o 12 -14 -2 34.01 12.32 21.09 < 12 -14 -1 340.58 366.77 54.88 o 12 -14 0 40.46 8.58 22.72 < 12 -14 1 345.03 357.66 45.70 o 12 -14 2 33.80 -3.48 22.16 < 12 -14 3 256.05 291.63 42.44 o 12 -14 4 58.17 -0.81 36.04 < 12 -14 5 215.01 195.70 50.73 o 12 -14 6 47.13 -6.59 23.05 < 12 -14 7 145.55 157.74 44.26 o 12 -14 8 61.37 -17.21 33.82 < 12 -14 9 118.85 90.73 39.04 < 12 -14 10 61.06 -9.47 33.97 < 12 -14 11 62.02 84.73 50.40 < 12 -14 12 51.29 13.69 50.21 < 12 -13 -11 143.07 52.39 59.87 < 12 -13 -10 47.58 -5.62 44.03 < 12 -13 -9 72.45 -6.03 40.59 < 12 -13 -8 40.60 -8.33 26.83 < 12 -13 -7 264.36 273.26 49.62 o 12 -13 -6 38.20 -20.17 24.13 < 12 -13 -5 187.70 193.01 36.67 o 12 -13 -4 34.97 -67.45 39.52 < 12 -13 -3 346.17 353.75 43.96 o 12 -13 -2 31.19 -7.47 23.01 < 12 -13 -1 339.47 233.70 39.45 o 12 -13 0 23.05 -30.82 23.90 < 12 -13 1 345.65 229.16 37.96 o 12 -13 2 30.49 16.47 19.68 < 12 -13 3 345.18 360.21 43.48 o 12 -13 4 36.88 21.46 27.60 < 12 -13 5 189.61 83.03 33.78 < 12 -13 6 37.18 -12.32 21.65 < 12 -13 7 266.21 265.98 51.44 o 12 -13 8 42.47 44.29 49.25 < 12 -13 9 72.28 56.39 40.37 < 12 -13 10 46.65 72.89 45.29 < 12 -13 11 145.79 98.20 49.36 < 12 -13 12 37.37 42.85 57.39 < 12 -12 -11 16.19 56.94 59.24 < 12 -12 -10 1262.73 1139.71 114.91 o 12 -12 -9 15.91 20.72 41.89 < 12 -12 -8 17418.70 18475.30 881.15 o 12 -12 -7 19.44 -1.85 24.46 < 12 -12 -6 1806.46 1860.57 107.93 o 12 -12 -5 14.42 8.18 23.75 < 12 -12 -4 31041.50 29346.80 1393.24 o 12 -12 -3 21.31 9.77 19.31 < 12 -12 -2 1231.24 1032.14 71.84 o 12 -12 -1 16.15 -21.02 21.87 < 12 -12 0 43784.70 39674.90 1873.22 o 12 -12 1 15.20 -8.07 23.35 < 12 -12 2 1258.80 1044.68 70.99 o 12 -12 3 22.10 5.44 24.72 < 12 -12 4 30992.70 34896.10 1658.53 o 12 -12 5 13.57 -42.77 36.71 < 12 -12 6 1765.44 1787.02 106.09 o 12 -12 7 20.07 -20.72 34.23 < 12 -12 8 17538.40 20170.60 963.76 o 12 -12 9 15.27 -9.73 33.86 < 12 -12 10 1208.62 1401.03 98.19 o 12 -12 11 16.76 -9.29 49.32 < 12 -12 12 7763.50 8782.39 436.33 o 12 -12 13 10.53 92.24 140.46 < 12 -11 -11 52.74 48.03 65.49 < 12 -11 -10 47.19 -60.87 59.31 < 12 -11 -9 247.05 179.43 64.13 < 12 -11 -8 36.37 -14.28 24.16 < 12 -11 -7 117.77 22.39 25.35 < 12 -11 -6 33.94 -10.62 32.38 < 12 -11 -5 353.26 355.89 41.82 o 12 -11 -4 39.72 0.74 24.94 < 12 -11 -3 202.49 188.82 36.37 o 12 -11 -2 22.71 -22.02 18.54 < 12 -11 -1 367.96 304.13 40.75 o 12 -11 0 28.54 -10.51 18.46 < 12 -11 1 373.53 347.37 41.70 o 12 -11 2 21.20 -8.18 21.90 < 12 -11 3 197.87 225.62 47.55 o 12 -11 4 40.51 14.84 23.50 < 12 -11 5 354.87 381.01 64.50 o 12 -11 6 32.07 -37.26 26.97 < 12 -11 7 113.56 114.49 35.89 o 12 -11 8 36.59 -26.64 31.60 < 12 -11 9 250.99 357.37 69.42 o 12 -11 10 45.49 74.52 54.32 < 12 -11 11 48.89 14.87 52.47 < 12 -11 12 29.34 -13.88 53.54 < 12 -11 13 146.95 272.22 71.45 o 12 -10 -11 82.75 -10.92 64.90 < 12 -10 -10 59.56 160.33 85.92 < 12 -10 -9 191.79 181.54 63.35 < 12 -10 -8 35.94 -44.74 27.38 < 12 -10 -7 176.52 129.69 36.85 o 12 -10 -6 50.58 23.98 26.49 < 12 -10 -5 360.19 441.64 49.00 o 12 -10 -4 27.67 -14.99 27.42 < 12 -10 -3 305.60 213.99 35.63 o 12 -10 -2 43.07 -11.99 16.87 < 12 -10 -1 466.96 373.28 50.78 o 12 -10 0 15.37 25.01 21.39 < 12 -10 1 471.84 421.32 57.91 o 12 -10 2 41.77 2.81 20.98 < 12 -10 3 304.65 268.22 43.44 o 12 -10 4 29.53 0.04 22.83 < 12 -10 5 362.97 600.33 62.64 o 12 -10 6 48.52 13.99 30.30 < 12 -10 7 174.94 273.60 48.44 o 12 -10 8 37.33 55.95 35.30 < 12 -10 9 196.23 274.48 54.32 o 12 -10 10 58.08 -34.00 48.29 < 12 -10 11 78.47 160.11 47.88 o 12 -10 12 33.56 -11.54 46.10 < 12 -10 13 95.35 85.44 56.95 < 12 -9 -11 17.32 39.63 55.83 < 12 -9 -10 1933.02 1821.29 174.28 o 12 -9 -9 17.08 -152.74 75.48 < 12 -9 -8 18520.80 19543.60 931.96 o 12 -9 -7 24.92 13.43 22.16 < 12 -9 -6 3622.64 3794.08 197.45 o 12 -9 -5 15.23 -21.53 26.68 < 12 -9 -4 34701.50 29686.90 1405.03 o 12 -9 -3 28.42 18.32 16.95 < 12 -9 -2 3571.65 3430.10 178.13 o 12 -9 -1 20.88 -4.66 34.97 < 12 -9 0 51550.90 54668.80 2602.93 o 12 -9 1 19.98 -32.60 23.94 < 12 -9 2 3652.24 3687.75 194.43 o 12 -9 3 28.87 2.52 29.12 < 12 -9 4 34701.10 36716.40 1739.34 o 12 -9 5 14.43 -24.86 24.42 < 12 -9 6 3650.60 3612.61 189.70 o 12 -9 7 25.14 0.44 25.05 < 12 -9 8 18744.20 20181.60 964.51 o 12 -9 9 16.72 5.25 41.00 < 12 -9 10 1928.33 2124.52 128.28 o 12 -9 11 17.59 15.80 51.88 < 12 -9 12 7837.63 8616.44 427.67 o 12 -9 13 12.02 -36.00 63.49 < 12 -8 -10 31.01 -8.07 45.03 < 12 -8 -9 184.92 245.52 40.30 o 12 -8 -8 29.63 41.18 30.53 < 12 -8 -7 282.32 345.89 48.95 o 12 -8 -6 29.80 -16.54 28.38 < 12 -8 -5 370.37 357.09 43.67 o 12 -8 -4 43.14 -14.28 33.71 < 12 -8 -3 415.66 288.70 39.78 o 12 -8 -2 25.71 0.30 36.93 < 12 -8 -1 501.64 529.65 55.81 o 12 -8 0 36.25 9.25 35.04 < 12 -8 1 505.37 455.05 56.80 o 12 -8 2 25.68 -3.85 21.20 < 12 -8 3 417.37 377.75 46.15 o 12 -8 4 44.31 1.41 21.98 < 12 -8 5 367.55 401.70 60.28 o 12 -8 6 31.14 16.21 31.90 < 12 -8 7 283.40 331.98 52.73 o 12 -8 8 30.74 -7.96 41.85 < 12 -8 9 182.54 248.17 54.02 o 12 -8 10 32.47 -41.63 38.96 < 12 -8 11 135.28 267.27 57.58 o 12 -8 12 18.99 -7.96 43.37 < 12 -8 13 94.24 60.61 57.76 < 12 -7 -10 30.44 -0.85 48.03 < 12 -7 -9 129.19 78.74 34.75 < 12 -7 -8 23.52 -17.65 25.01 < 12 -7 -7 356.93 335.06 42.85 o 12 -7 -6 33.93 22.24 23.39 < 12 -7 -5 254.99 230.07 39.23 o 12 -7 -4 16.92 30.27 28.64 < 12 -7 -3 424.89 483.71 60.65 o 12 -7 -2 36.83 -23.61 19.13 < 12 -7 -1 462.50 495.95 59.00 o 12 -7 0 10.27 5.59 24.86 < 12 -7 1 469.93 481.07 63.50 o 12 -7 2 36.56 12.03 23.46 < 12 -7 3 416.38 435.40 53.22 o 12 -7 4 17.84 -27.12 29.01 < 12 -7 5 253.58 194.37 45.29 o 12 -7 6 33.47 -0.78 23.27 < 12 -7 7 353.76 346.89 59.54 o 12 -7 8 23.60 -23.64 28.57 < 12 -7 9 127.69 73.48 44.14 < 12 -7 10 29.98 30.27 34.41 < 12 -7 11 213.55 161.96 54.88 < 12 -7 12 17.23 43.96 50.88 < 12 -7 13 67.69 60.16 74.67 < 12 -7 14 20.20 390.62 128.17 o 12 -6 -10 2437.83 2377.20 200.50 o 12 -6 -9 26.58 8.84 24.31 < 12 -6 -8 15883.30 16360.00 781.79 o 12 -6 -7 20.75 14.02 20.79 < 12 -6 -6 4430.02 4198.55 216.04 o 12 -6 -5 44.31 34.71 29.49 < 12 -6 -4 28389.30 30210.20 1432.28 o 12 -6 -3 32.32 12.77 26.38 < 12 -6 -2 4432.89 4676.40 240.83 o 12 -6 -1 51.83 16.98 28.97 < 12 -6 0 42273.30 41285.20 1965.24 o 12 -6 1 53.16 3.74 31.30 < 12 -6 2 4511.83 4278.73 223.95 o 12 -6 3 31.53 17.35 26.38 < 12 -6 4 28155.50 27204.50 1291.51 o 12 -6 5 45.54 0.85 26.90 < 12 -6 6 4443.13 4401.99 229.26 o 12 -6 7 20.41 1.44 27.64 < 12 -6 8 15880.30 16424.90 785.22 o 12 -6 9 27.13 -10.84 48.95 < 12 -6 10 2426.81 2540.18 144.67 o 12 -6 11 13.23 54.21 44.18 < 12 -6 12 7045.59 7628.10 383.42 o 12 -6 13 15.86 -76.37 47.84 < 12 -6 14 1361.91 1576.25 193.10 o 12 -5 -10 36.14 -73.08 51.77 < 12 -5 -9 161.40 161.15 37.52 o 12 -5 -8 44.07 9.21 22.13 < 12 -5 -7 254.90 208.76 38.52 o 12 -5 -6 34.67 -11.29 21.02 < 12 -5 -5 365.35 315.23 42.71 o 12 -5 -4 31.80 -19.17 25.01 < 12 -5 -3 362.05 348.45 49.36 o 12 -5 -2 24.30 -21.87 29.38 < 12 -5 -1 417.16 323.73 52.67 o 12 -5 0 12.15 0.81 22.16 < 12 -5 1 419.14 409.20 51.95 o 12 -5 2 24.10 -8.44 22.31 < 12 -5 3 365.94 385.47 50.15 o 12 -5 4 31.03 4.14 23.94 < 12 -5 5 363.00 341.20 52.40 o 12 -5 6 35.05 10.36 37.82 < 12 -5 7 252.91 365.20 50.84 o 12 -5 8 43.80 14.99 26.83 < 12 -5 9 161.21 230.48 49.62 o 12 -5 10 36.86 101.94 46.73 < 12 -5 11 125.65 149.75 46.51 o 12 -5 12 37.00 73.26 52.36 < 12 -5 13 68.25 55.28 60.02 < 12 -5 14 25.32 366.94 123.66 < 12 -4 -9 140.98 -88.73 67.72 < 12 -4 -8 54.96 0.07 24.90 < 12 -4 -7 199.25 145.79 35.63 o 12 -4 -6 34.96 -5.14 27.64 < 12 -4 -5 284.13 346.90 55.14 o 12 -4 -4 44.70 40.18 23.31 < 12 -4 -3 315.12 268.23 52.77 o 12 -4 -2 23.53 -3.00 21.76 < 12 -4 -1 458.71 487.03 63.96 o 12 -4 0 42.69 90.51 46.47 < 12 -4 1 457.18 535.79 59.17 o 12 -4 2 24.39 5.99 22.42 < 12 -4 3 315.51 315.59 55.18 o 12 -4 4 44.36 -6.22 22.27 < 12 -4 5 282.50 179.27 46.66 o 12 -4 6 36.33 -6.92 24.64 < 12 -4 7 201.67 223.62 48.11 o 12 -4 8 54.10 -23.46 36.48 < 12 -4 9 142.20 156.26 50.95 o 12 -4 10 41.90 -39.15 36.96 < 12 -4 11 99.21 122.33 59.39 < 12 -4 12 43.54 34.52 42.88 < 12 -4 13 57.09 14.06 51.40 < 12 -3 -9 27.17 -58.57 49.40 < 12 -3 -8 14691.30 14590.30 698.25 o 12 -3 -7 23.95 -7.77 22.79 < 12 -3 -6 4297.27 4023.23 207.70 o 12 -3 -5 35.84 17.02 22.79 < 12 -3 -4 25739.90 26128.80 1242.46 o 12 -3 -3 32.39 -5.07 29.42 < 12 -3 -2 4335.40 4273.33 222.67 o 12 -3 -1 38.54 15.21 22.39 < 12 -3 0 37653.90 40608.80 1926.37 o 12 -3 1 38.73 13.69 26.79 < 12 -3 2 4398.46 4562.05 237.76 o 12 -3 3 32.15 3.18 24.09 < 12 -3 4 25526.70 23276.20 1109.23 o 12 -3 5 35.95 -32.71 25.60 < 12 -3 6 4292.48 4044.00 211.99 o 12 -3 7 23.63 -19.02 48.29 < 12 -3 8 14679.60 13383.50 647.59 o 12 -3 9 27.02 11.10 44.99 < 12 -3 10 2389.84 2359.75 144.03 o 12 -3 11 16.22 56.61 40.89 < 12 -3 12 6638.19 6819.81 345.55 o 12 -3 13 18.15 -1.22 49.62 < 12 -2 -8 35.98 0.30 25.27 < 12 -2 -7 347.46 337.68 47.33 o 12 -2 -6 41.68 41.52 24.68 < 12 -2 -5 343.18 286.11 50.85 o 12 -2 -4 18.52 -34.34 30.05 < 12 -2 -3 480.68 466.06 58.69 o 12 -2 -2 29.05 -29.75 22.64 < 12 -2 -1 430.96 466.55 55.07 o 12 -2 0 11.50 -1.04 22.87 < 12 -2 1 439.40 404.50 52.80 o 12 -2 2 29.00 -2.92 23.27 < 12 -2 3 480.42 443.44 60.66 o 12 -2 4 16.87 -16.95 29.27 < 12 -2 5 345.45 389.33 60.42 o 12 -2 6 40.80 -12.10 23.61 < 12 -2 7 345.80 266.07 46.74 o 12 -2 8 34.02 48.62 37.15 < 12 -2 9 149.02 153.04 47.32 o 12 -2 10 41.37 14.99 38.96 < 12 -2 11 161.09 102.09 46.88 < 12 -2 12 42.13 -10.29 42.59 < 12 -2 13 65.67 84.44 61.64 < 12 -1 -8 47.45 89.91 70.49 < 12 -1 -7 247.49 157.07 32.23 o 12 -1 -6 46.35 -3.48 26.16 < 12 -1 -5 338.78 380.91 51.33 o 12 -1 -4 32.23 -2.66 23.64 < 12 -1 -3 374.53 357.92 57.91 o 12 -1 -2 41.04 60.65 24.75 < 12 -1 -1 507.09 454.05 55.26 o 12 -1 0 32.51 -91.32 49.06 < 12 -1 1 507.11 440.99 58.24 o 12 -1 2 41.45 41.48 56.95 < 12 -1 3 370.67 342.47 70.61 o 12 -1 4 30.68 -17.06 50.77 < 12 -1 5 338.14 335.91 71.34 o 12 -1 6 46.08 -21.02 37.56 < 12 -1 7 249.16 133.81 70.64 < 12 -1 8 44.91 -57.13 53.21 < 12 -1 9 213.19 204.77 75.41 < 12 -1 10 42.06 -13.84 51.06 < 12 -1 11 131.15 148.90 65.38 < 12 -1 12 40.12 39.48 62.27 < 12 -1 13 106.12 -5.40 70.78 < 12 0 -7 19.43 -8.84 38.37 < 12 0 -6 1804.79 1732.50 105.29 o 12 0 -5 14.43 38.78 28.08 < 12 0 -4 31045.10 30276.40 1437.33 o 12 0 -3 21.30 -5.81 34.97 < 12 0 -2 1230.60 1191.52 84.10 o 12 0 -1 16.18 4.37 24.20 < 12 0 0 43785.40 46225.10 3090.49 o 12 0 1 15.17 17.80 37.56 < 12 0 2 1259.19 1474.86 137.69 o 12 0 3 22.12 -28.64 73.00 < 12 0 4 30989.80 32922.30 2209.13 o 12 0 5 13.56 0.67 38.78 < 12 0 6 1767.05 1616.36 155.75 o 12 0 7 20.09 26.27 59.24 < 12 0 8 17537.90 18980.50 1286.32 o 12 0 9 15.28 45.84 95.83 < 12 0 10 1209.59 1087.47 144.37 o 12 0 11 16.77 3.15 62.38 < 12 0 12 7763.64 7674.91 389.61 o 12 0 13 10.55 -46.36 110.26 < 12 1 -7 175.43 77.00 32.89 < 12 1 -6 56.72 -23.94 34.71 < 12 1 -5 185.29 158.41 42.67 o 12 1 -4 55.42 30.27 37.00 < 12 1 -3 249.29 267.97 48.32 o 12 1 -2 37.61 3.44 37.26 < 12 1 -1 209.72 210.97 66.65 o 12 1 0 48.23 106.79 66.60 < 12 1 1 212.16 165.62 67.53 < 12 1 2 37.72 33.30 86.77 < 12 1 3 254.47 260.59 89.63 < 12 1 4 54.14 19.50 58.13 < 12 1 5 186.06 204.36 72.26 < 12 1 6 56.82 13.95 43.85 < 12 1 7 176.64 265.20 79.52 o 12 1 8 60.89 -32.89 50.06 < 12 1 9 84.14 82.70 72.93 < 12 1 10 49.46 5.59 61.46 < 12 1 11 85.57 16.21 101.87 < 12 1 12 52.82 -24.46 121.59 < 12 2 -7 136.32 175.05 49.69 o 12 2 -6 53.35 -13.32 28.60 < 12 2 -5 179.14 182.58 49.25 o 12 2 -4 52.83 5.92 27.60 < 12 2 -3 244.66 183.01 71.04 < 12 2 -2 48.63 19.46 53.24 < 12 2 -1 315.82 286.65 73.72 o 12 2 0 42.60 10.51 44.36 < 12 2 1 314.58 454.75 83.77 o 12 2 2 49.53 13.51 41.70 < 12 2 3 243.55 416.19 83.37 o 12 2 4 52.16 75.37 64.24 < 12 2 5 178.36 77.26 39.81 < 12 2 6 55.05 -11.14 43.74 < 12 2 7 140.07 211.58 45.07 o 12 2 8 74.98 -38.45 30.49 < 12 2 9 111.22 100.50 39.33 < 12 2 10 48.36 -37.74 35.19 < 12 2 11 61.01 200.51 122.22 < 12 2 12 56.66 -3.18 99.50 < 12 3 -7 5.14 25.90 34.86 < 12 3 -6 1709.29 1793.85 154.04 o 12 3 -5 9.40 12.62 39.00 < 12 3 -4 14784.90 13851.50 954.19 o 12 3 -3 3.10 57.20 62.79 < 12 3 -2 1305.13 1239.07 130.54 o 12 3 -1 6.33 -82.14 59.68 < 12 3 0 19669.40 19519.70 1323.87 o 12 3 1 6.13 30.60 43.29 < 12 3 2 1320.90 1102.68 129.33 o 12 3 3 3.23 13.80 43.74 < 12 3 4 14628.40 16067.20 769.91 o 12 3 5 9.07 -8.07 29.23 < 12 3 6 1686.58 1966.50 115.89 o 12 3 7 5.13 -5.48 42.85 < 12 3 8 9206.00 9979.54 488.10 o 12 3 9 10.58 6.51 43.66 < 12 3 10 1238.22 1247.21 88.90 o 12 3 11 7.93 50.65 67.31 < 12 4 -8 38.56 6.59 21.24 < 12 4 -7 159.82 167.54 33.82 o 12 4 -6 31.56 14.36 33.63 < 12 4 -5 141.32 150.97 56.84 < 12 4 -4 41.77 -26.12 51.95 < 12 4 -3 193.71 126.55 54.50 < 12 4 -2 21.18 28.49 47.25 < 12 4 -1 154.39 178.91 76.23 < 12 4 0 42.69 20.05 47.58 < 12 4 1 155.14 79.52 48.66 < 12 4 2 21.79 -1.41 38.19 < 12 4 3 196.16 220.14 50.84 o 12 4 4 41.41 -36.85 29.68 < 12 4 5 142.20 115.26 37.82 o 12 4 6 32.86 18.43 47.40 < 12 4 7 157.34 138.39 47.73 < 12 4 8 38.85 -10.36 48.95 < 12 4 9 61.55 80.44 45.33 < 12 4 10 27.23 -80.52 64.16 < 12 4 11 97.56 -59.54 59.76 < 12 5 -8 32.93 -5.77 23.98 < 12 5 -7 77.88 41.52 31.60 < 12 5 -6 24.52 46.55 24.24 < 12 5 -3 143.37 67.64 54.10 < 12 5 -2 25.65 -16.80 68.90 < 12 5 -1 223.10 194.98 98.91 < 12 5 0 28.74 -39.63 48.21 < 12 5 1 222.01 237.70 50.69 o 12 5 2 26.27 20.98 50.14 < 12 5 3 139.85 102.79 39.11 < 12 5 4 26.79 37.63 33.45 < 12 5 5 195.68 201.51 59.79 o 12 5 6 24.87 5.99 40.44 < 12 5 7 75.55 12.91 39.78 < 12 5 8 31.46 27.68 46.92 < 12 5 9 161.28 133.06 52.28 < 12 5 10 26.57 83.55 62.75 < 12 6 -8 7202.41 6303.44 308.40 o 12 6 -7 11.12 -10.47 49.47 < 12 6 -6 1387.72 1594.63 129.09 o 12 6 -1 4.91 2.55 55.65 < 12 6 0 16073.60 14520.00 996.58 o 12 6 1 5.19 -14.25 34.63 < 12 6 2 1634.91 1570.09 116.00 o 12 6 3 7.45 -41.11 48.69 < 12 6 4 12276.70 12600.00 616.50 o 12 6 5 14.57 77.96 51.36 < 12 6 6 1421.59 1470.59 109.07 o 12 6 7 11.32 24.61 52.62 < 12 6 8 7360.29 7238.21 362.96 o 12 6 9 19.04 -54.87 58.98 < 12 6 10 818.71 971.99 134.07 o 12 7 -8 54.07 24.31 40.63 < 12 7 -7 117.10 50.54 51.17 < 12 7 -6 49.27 -40.07 49.58 < 12 7 -5 136.98 256.43 67.97 o 12 7 0 48.53 34.34 45.22 < 12 7 1 149.61 239.73 55.32 o 12 7 2 36.65 3.63 47.03 < 12 7 3 176.90 166.81 53.14 o 12 7 4 51.70 -48.92 53.28 < 12 7 5 138.36 101.16 42.88 < 12 7 6 49.08 64.79 47.99 < 12 7 7 118.87 88.69 64.83 < 12 7 8 53.95 -30.82 70.53 < 12 7 9 70.04 117.85 79.70 < 12 8 -8 51.79 10.55 55.91 < 12 8 -7 59.77 29.75 52.28 < 12 8 -6 46.11 -18.09 54.61 < 12 8 -5 99.47 62.09 45.33 < 12 8 -4 43.02 -32.49 41.89 < 12 8 0 37.91 44.14 54.06 < 12 8 1 122.98 54.80 57.61 < 12 8 2 33.77 61.87 64.23 < 12 8 3 97.51 30.75 84.70 < 12 8 4 42.34 -3.40 50.43 < 12 8 5 98.39 16.76 45.40 < 12 8 6 45.64 32.64 55.50 < 12 8 7 60.18 106.68 70.60 < 12 8 8 50.88 -9.25 72.89 < 12 9 -6 684.90 490.51 85.93 o 12 9 -5 5.44 -48.40 52.58 < 12 9 -4 5472.86 6244.81 443.34 o 12 9 -3 5.23 37.59 47.69 < 12 9 -1 4.65 -23.13 53.47 < 12 9 0 6653.03 7784.96 548.13 o 12 9 1 4.50 -17.83 57.24 < 12 9 2 505.78 586.95 82.22 o 12 9 3 5.31 -54.76 58.79 < 12 9 4 5428.32 5929.45 418.37 o 12 9 5 5.20 -9.81 55.61 < 12 9 6 667.87 666.66 95.95 o 12 10 -4 42.40 9.92 63.46 < 12 10 -3 105.88 0.37 59.35 < 12 10 -2 31.88 -63.24 67.42 < 12 10 -1 70.21 4.70 51.28 < 12 10 0 41.75 33.45 52.47 < 12 10 1 70.87 35.56 105.12 < 12 10 2 31.67 24.72 55.58 < 12 10 3 104.74 95.17 78.44 < 12 10 4 42.41 -19.43 61.72 < 12 10 5 61.46 -0.11 69.12 < 12 11 -1 76.68 36.22 64.72 < 12 11 0 38.38 -41.89 63.68 < 12 11 1 77.65 -5.03 75.70 < 12 11 2 31.01 83.66 72.86 < 13 -23 -2 2683.60 2860.07 227.73 o 13 -23 -1 9.16 72.23 77.78 < 13 -23 0 1766.70 1824.49 163.18 o 13 -23 1 8.81 -23.61 66.79 < 13 -23 2 2666.52 3048.50 242.18 o 13 -22 -4 46.84 67.05 49.25 < 13 -22 -3 92.20 87.06 55.87 < 13 -22 -2 31.38 -62.53 48.43 < 13 -22 -1 79.36 123.77 52.36 < 13 -22 0 43.16 -50.73 46.77 < 13 -22 1 79.15 28.42 48.32 < 13 -22 2 31.55 -4.70 40.33 < 13 -22 3 94.23 46.66 57.09 < 13 -22 4 46.96 -6.48 43.81 < 13 -22 5 74.50 179.42 84.07 < 13 -21 -6 29.36 -41.37 87.21 < 13 -21 -5 108.69 105.82 61.98 < 13 -21 -4 29.35 -18.24 39.04 < 13 -21 -3 77.46 8.99 46.51 < 13 -21 -2 22.01 4.44 38.56 < 13 -21 -1 106.54 141.83 44.07 o 13 -21 0 27.45 35.34 37.96 < 13 -21 1 106.24 62.02 42.92 < 13 -21 2 21.86 -25.27 41.03 < 13 -21 3 79.04 131.72 50.99 < 13 -21 4 29.34 63.49 37.00 < 13 -21 5 107.36 192.23 76.22 < 13 -21 6 29.13 58.91 89.32 < 13 -20 -7 14.09 -95.24 94.13 < 13 -20 -6 5566.00 4357.93 321.90 o 13 -20 -5 12.58 26.38 46.70 < 13 -20 -4 2901.01 3018.36 166.70 o 13 -20 -3 9.64 37.15 43.00 < 13 -20 -2 7351.31 7852.85 387.57 o 13 -20 -1 9.77 -21.53 32.97 < 13 -20 0 2958.58 3489.65 186.54 o 13 -20 1 9.87 10.36 48.21 < 13 -20 2 7336.97 7578.30 374.93 o 13 -20 3 9.18 48.29 45.96 < 13 -20 4 2900.84 3211.33 172.45 o 13 -20 5 12.46 -60.16 42.63 < 13 -20 6 5546.92 6216.90 437.43 o 13 -20 7 13.36 -100.16 68.56 < 13 -20 8 1932.35 2016.47 180.98 o 13 -19 -8 41.35 0.41 93.02 < 13 -19 -7 108.21 52.28 87.29 < 13 -19 -6 31.97 -19.43 52.39 < 13 -19 -5 85.22 68.01 39.07 < 13 -19 -4 42.40 14.47 39.41 < 13 -19 -3 138.15 79.70 52.76 < 13 -19 -2 25.66 10.29 31.12 < 13 -19 -1 95.61 95.54 40.00 < 13 -19 0 37.60 -27.38 41.70 < 13 -19 1 92.05 117.67 49.32 < 13 -19 2 25.68 0.56 32.41 < 13 -19 3 142.59 195.45 49.73 o 13 -19 4 42.19 39.07 50.54 < 13 -19 5 83.54 130.47 40.22 o 13 -19 6 32.21 15.76 43.55 < 13 -19 7 108.94 165.58 47.88 o 13 -19 8 41.38 76.70 51.10 < 13 -19 9 46.44 241.17 91.06 < 13 -18 -9 42.76 260.93 118.81 < 13 -18 -8 46.85 -7.03 101.05 < 13 -18 -7 122.91 115.97 43.96 < 13 -18 -6 39.44 32.71 37.96 < 13 -18 -5 107.70 78.52 39.67 < 13 -18 -4 35.10 -42.70 33.63 < 13 -18 -3 151.31 157.45 40.00 o 13 -18 -2 22.83 -12.88 30.08 < 13 -18 -1 152.58 146.34 58.31 < 13 -18 0 28.98 4.03 27.75 < 13 -18 1 156.23 158.37 39.96 o 13 -18 2 22.69 -1.48 34.89 < 13 -18 3 152.77 212.65 55.24 o 13 -18 4 33.98 42.55 48.06 < 13 -18 5 110.02 61.05 44.96 < 13 -18 6 38.99 10.66 37.30 < 13 -18 7 124.19 7.96 44.51 < 13 -18 8 45.65 8.36 37.48 < 13 -18 9 44.62 45.85 54.54 < 13 -17 -10 4690.84 3503.62 279.49 o 13 -17 -9 13.94 105.68 90.99 < 13 -17 -8 2366.18 2616.62 215.09 o 13 -17 -7 13.35 36.74 40.29 < 13 -17 -6 8899.43 9267.00 456.43 o 13 -17 -5 9.51 -5.70 35.08 < 13 -17 -4 3949.80 4235.84 218.60 o 13 -17 -3 6.06 57.43 37.74 < 13 -17 -2 13045.90 13527.10 651.37 o 13 -17 -1 3.19 -5.55 38.04 < 13 -17 0 4109.68 4425.03 227.37 o 13 -17 1 3.53 7.40 29.53 < 13 -17 2 13078.90 14097.30 678.87 o 13 -17 3 5.50 8.29 32.52 < 13 -17 4 4010.00 4299.63 222.40 o 13 -17 5 9.74 -5.92 30.60 < 13 -17 6 8991.69 9626.86 471.69 o 13 -17 7 13.01 11.47 37.78 < 13 -17 8 2399.33 2559.00 142.57 o 13 -17 9 14.42 -24.49 39.85 < 13 -17 10 4777.01 4193.82 224.01 o 13 -16 -11 121.47 -31.49 86.66 < 13 -16 -10 35.52 -93.76 86.03 < 13 -16 -9 57.81 110.45 68.75 < 13 -16 -8 42.46 27.53 75.63 < 13 -16 -7 196.15 200.85 50.43 o 13 -16 -6 42.07 5.74 40.70 < 13 -16 -5 139.87 174.95 42.40 o 13 -16 -4 43.59 -4.40 26.46 < 13 -16 -3 258.55 216.54 45.51 o 13 -16 -2 32.27 -40.15 29.49 < 13 -16 -1 168.72 223.94 42.15 o 13 -16 0 39.29 1.96 25.53 < 13 -16 1 170.57 155.41 33.93 o 13 -16 2 32.33 31.90 29.60 < 13 -16 3 258.05 206.44 38.96 o 13 -16 4 44.25 -16.10 34.71 < 13 -16 5 142.70 138.54 33.08 o 13 -16 6 42.35 30.05 50.84 < 13 -16 7 191.91 268.34 45.85 o 13 -16 8 44.06 30.86 34.60 < 13 -16 9 57.88 101.46 46.58 < 13 -16 10 35.59 -42.40 45.81 < 13 -16 11 119.29 0.00 76.08 < 13 -15 -11 121.35 121.37 88.62 < 13 -15 -10 27.83 16.95 58.50 < 13 -15 -9 99.77 151.15 88.47 < 13 -15 -8 34.39 -19.46 37.93 < 13 -15 -7 194.47 214.70 50.81 o 13 -15 -6 36.04 22.50 34.74 < 13 -15 -5 196.27 208.10 41.77 o 13 -15 -4 31.41 29.12 27.64 < 13 -15 -3 222.32 217.88 41.26 o 13 -15 -2 31.90 16.02 30.79 < 13 -15 -1 207.55 214.98 41.40 o 13 -15 0 29.70 29.53 24.09 < 13 -15 1 205.29 218.70 41.89 o 13 -15 2 32.78 -3.29 21.50 < 13 -15 3 226.58 258.71 42.26 o 13 -15 4 30.92 -12.69 45.44 < 13 -15 5 191.12 233.57 47.51 o 13 -15 6 37.87 -24.75 34.00 < 13 -15 7 193.96 103.97 34.08 o 13 -15 8 34.53 -5.70 46.03 < 13 -15 9 96.04 140.65 51.14 < 13 -15 10 29.41 -27.97 42.59 < 13 -15 11 120.65 132.84 50.10 < 13 -14 -11 17.47 28.93 53.50 < 13 -14 -10 5740.60 5499.54 399.45 o 13 -14 -9 14.79 -7.10 71.56 < 13 -14 -8 3153.24 3404.24 181.82 o 13 -14 -7 17.91 14.80 30.90 < 13 -14 -6 10789.60 10346.10 502.83 o 13 -14 -5 13.01 19.17 24.01 < 13 -14 -4 4481.86 4409.40 226.42 o 13 -14 -3 16.96 8.47 24.16 < 13 -14 -2 15864.80 15791.70 755.56 o 13 -14 -1 12.56 -3.48 27.71 < 13 -14 0 4157.09 3895.83 201.29 o 13 -14 1 12.80 -26.75 21.65 < 13 -14 2 15853.10 15419.60 739.98 o 13 -14 3 16.43 16.35 23.46 < 13 -14 4 4451.07 4550.33 231.23 o 13 -14 5 12.88 -24.53 28.12 < 13 -14 6 10812.20 11075.70 537.65 o 13 -14 7 17.44 -24.57 29.08 < 13 -14 8 3055.29 3120.94 167.15 o 13 -14 9 14.48 33.52 42.22 < 13 -14 10 5775.13 6050.84 304.22 o 13 -14 11 17.09 9.44 44.70 < 13 -14 12 1781.36 1694.78 186.64 o 13 -13 -11 135.62 -68.79 89.77 < 13 -13 -10 54.10 -7.66 70.23 < 13 -13 -9 66.26 73.97 64.61 < 13 -13 -8 44.50 36.19 30.12 < 13 -13 -7 230.74 299.83 48.44 o 13 -13 -6 63.76 -4.74 29.49 < 13 -13 -5 147.64 115.34 30.90 o 13 -13 -4 40.49 -4.85 28.23 < 13 -13 -3 303.40 272.16 44.29 o 13 -13 -2 48.25 -11.91 34.34 < 13 -13 -1 173.79 141.72 33.60 o 13 -13 0 33.81 -27.83 21.02 < 13 -13 1 175.42 158.18 40.78 o 13 -13 2 47.91 22.79 28.79 < 13 -13 3 303.72 290.67 44.22 o 13 -13 4 40.84 20.65 39.00 < 13 -13 5 149.31 186.05 44.29 o 13 -13 6 62.84 23.20 30.12 < 13 -13 7 227.86 262.68 53.21 o 13 -13 8 45.68 -33.23 34.60 < 13 -13 9 64.78 118.26 55.13 < 13 -13 10 52.91 -17.32 43.00 < 13 -13 11 136.18 89.32 50.88 < 13 -13 12 44.28 -42.18 74.00 < 13 -12 -11 84.12 91.58 83.96 < 13 -12 -10 48.97 -114.56 59.68 < 13 -12 -9 85.78 67.12 38.48 < 13 -12 -8 60.56 9.66 39.63 < 13 -12 -7 174.94 162.07 40.11 o 13 -12 -6 56.49 -17.83 38.19 < 13 -12 -5 185.95 190.48 43.81 o 13 -12 -4 55.21 -16.35 23.98 < 13 -12 -3 248.60 253.60 40.74 o 13 -12 -2 37.51 11.32 23.24 < 13 -12 -1 210.51 145.38 36.67 o 13 -12 0 48.23 2.85 19.94 < 13 -12 1 211.34 198.27 42.63 o 13 -12 2 37.83 -3.92 20.24 < 13 -12 3 255.16 240.92 46.10 o 13 -12 4 54.35 10.21 27.86 < 13 -12 5 185.40 137.47 36.15 o 13 -12 6 57.06 -4.07 32.08 < 13 -12 7 177.13 187.41 48.36 o 13 -12 8 61.16 43.22 39.44 < 13 -12 9 83.89 125.25 46.14 < 13 -12 10 49.67 -48.43 58.76 < 13 -12 11 85.69 154.70 60.20 < 13 -12 12 53.04 18.32 57.72 < 13 -11 -11 16.91 56.06 55.50 < 13 -11 -10 5717.71 5857.53 422.86 o 13 -11 -9 15.86 10.43 34.00 < 13 -11 -8 6324.27 6980.44 345.00 o 13 -11 -7 31.31 -18.61 48.40 < 13 -11 -6 10944.40 11476.10 554.43 o 13 -11 -5 31.16 -13.02 20.20 < 13 -11 -4 11467.20 10249.00 496.49 o 13 -11 -3 43.06 13.54 23.79 < 13 -11 -2 16504.20 15027.30 720.39 o 13 -11 -1 48.77 11.14 26.16 < 13 -11 0 11899.50 10822.20 524.91 o 13 -11 1 47.40 1.26 24.50 < 13 -11 2 16442.30 18328.40 880.82 o 13 -11 3 45.02 -5.70 23.94 < 13 -11 4 11577.40 12678.30 613.98 o 13 -11 5 30.64 2.78 33.38 < 13 -11 6 10875.70 12303.00 594.50 o 13 -11 7 33.08 -21.09 39.26 < 13 -11 8 6355.22 7316.99 364.11 o 13 -11 9 15.71 5.22 36.78 < 13 -11 10 5657.57 6950.99 349.88 o 13 -11 11 17.82 35.26 49.14 < 13 -11 12 2969.84 3379.29 190.11 o 13 -11 13 8.96 323.21 182.30 < 13 -10 -11 135.94 107.42 60.91 < 13 -10 -10 47.97 -35.00 50.06 < 13 -10 -9 139.33 127.29 34.37 o 13 -10 -8 32.44 -23.68 32.38 < 13 -10 -7 287.95 262.91 43.89 o 13 -10 -6 41.85 20.28 29.23 < 13 -10 -5 322.02 333.73 51.51 o 13 -10 -4 24.86 1.44 26.79 < 13 -10 -3 477.83 421.02 46.52 o 13 -10 -2 20.86 -20.31 18.91 < 13 -10 -1 376.21 326.64 41.45 o 13 -10 0 22.71 47.84 37.56 < 13 -10 1 376.99 373.94 48.96 o 13 -10 2 20.26 -19.43 31.04 < 13 -10 3 482.34 495.36 54.14 o 13 -10 4 25.25 3.00 47.40 < 13 -10 5 324.81 416.15 55.14 o 13 -10 6 39.54 13.54 27.16 < 13 -10 7 289.13 412.58 52.69 o 13 -10 8 32.84 3.92 35.08 < 13 -10 9 140.09 141.02 49.29 < 13 -10 10 44.59 2.63 51.21 < 13 -10 11 138.40 172.35 60.13 < 13 -10 12 38.79 16.76 65.86 < 13 -10 13 55.67 185.38 124.92 < 13 -9 -11 172.77 161.70 85.85 < 13 -9 -10 49.12 -33.97 70.34 < 13 -9 -9 143.43 147.49 42.00 o 13 -9 -8 47.83 25.75 45.55 < 13 -9 -7 346.70 315.58 45.15 o 13 -9 -6 51.90 -11.51 30.45 < 13 -9 -5 308.14 267.82 45.85 o 13 -9 -4 39.76 -23.16 34.86 < 13 -9 -3 477.81 445.95 45.48 o 13 -9 -2 38.82 30.19 34.41 < 13 -9 -1 343.07 303.60 51.10 o 13 -9 0 35.26 -23.13 22.76 < 13 -9 1 343.80 303.57 53.11 o 13 -9 2 38.40 6.55 23.01 < 13 -9 3 483.85 538.66 57.61 o 13 -9 4 38.79 40.89 29.97 < 13 -9 5 307.60 269.63 45.89 o 13 -9 6 50.16 0.37 35.89 < 13 -9 7 348.99 296.98 47.51 o 13 -9 8 46.99 -4.22 29.49 < 13 -9 9 141.66 28.05 45.88 < 13 -9 10 46.44 -11.58 49.69 < 13 -9 11 177.60 83.29 42.81 < 13 -9 12 50.39 14.32 58.39 < 13 -9 13 65.23 47.29 57.61 < 13 -8 -11 19.73 27.08 72.74 < 13 -8 -10 10179.70 9603.53 669.28 o 13 -8 -9 31.95 9.84 39.70 < 13 -8 -8 5889.21 5985.70 297.73 o 13 -8 -7 27.22 -9.07 33.71 < 13 -8 -6 21268.00 20591.70 981.75 o 13 -8 -5 45.65 -4.11 23.98 < 13 -8 -4 9746.88 9759.62 476.67 o 13 -8 -3 37.30 -16.87 21.39 < 13 -8 -2 33508.00 32832.50 1567.69 o 13 -8 -1 44.34 -11.84 25.05 < 13 -8 0 8984.52 9112.62 449.02 o 13 -8 1 44.22 -19.28 22.83 < 13 -8 2 33410.70 32893.90 1561.64 o 13 -8 3 36.87 -0.74 33.63 < 13 -8 4 9747.80 9638.97 471.10 o 13 -8 5 45.25 27.42 29.34 < 13 -8 6 21263.50 22176.10 1057.54 o 13 -8 7 26.76 5.51 26.57 < 13 -8 8 5789.86 6195.17 311.51 o 13 -8 9 31.71 -13.99 33.19 < 13 -8 10 10216.30 11200.90 545.71 o 13 -8 11 19.49 77.92 63.94 < 13 -8 12 2865.95 3047.52 172.07 o 13 -8 13 20.90 87.73 63.42 < 13 -7 -10 43.68 -20.98 54.17 < 13 -7 -9 75.15 120.92 42.70 < 13 -7 -8 36.37 -14.62 32.52 < 13 -7 -7 255.05 282.12 50.44 o 13 -7 -6 48.79 13.14 22.72 < 13 -7 -5 204.63 216.35 45.25 o 13 -7 -4 31.21 19.98 20.83 < 13 -7 -3 348.82 402.51 53.99 o 13 -7 -2 30.55 -20.83 23.64 < 13 -7 -1 260.33 271.56 45.66 o 13 -7 0 27.59 -3.33 22.35 < 13 -7 1 259.33 212.82 43.48 o 13 -7 2 30.54 -6.11 22.24 < 13 -7 3 353.28 309.87 48.99 o 13 -7 4 31.96 35.30 34.37 < 13 -7 5 204.54 298.62 46.63 o 13 -7 6 48.65 43.07 46.36 < 13 -7 7 254.70 278.18 51.69 o 13 -7 8 37.31 -6.48 33.30 < 13 -7 9 75.04 87.99 40.00 < 13 -7 10 43.57 45.07 47.14 < 13 -7 11 148.05 138.61 53.69 < 13 -7 12 33.79 -9.25 48.03 < 13 -7 13 26.30 47.03 56.02 < 13 -6 -10 39.15 11.06 57.61 < 13 -6 -9 122.44 196.92 44.33 o 13 -6 -8 37.99 33.23 34.74 < 13 -6 -7 217.30 225.43 49.21 o 13 -6 -6 49.38 6.11 31.41 < 13 -6 -5 303.89 344.90 45.74 o 13 -6 -4 35.65 104.94 44.33 < 13 -6 -3 355.20 438.19 53.18 o 13 -6 -2 24.15 -2.37 24.31 < 13 -6 -1 289.17 337.98 51.43 o 13 -6 0 29.91 16.43 22.50 < 13 -6 1 292.20 258.78 43.82 o 13 -6 2 24.35 -12.28 21.94 < 13 -6 3 357.29 343.54 49.40 o 13 -6 4 36.58 0.41 23.20 < 13 -6 5 309.37 325.20 48.18 o 13 -6 6 50.17 0.15 27.34 < 13 -6 7 209.85 134.43 43.03 o 13 -6 8 40.38 8.66 32.27 < 13 -6 9 125.67 163.81 58.76 < 13 -6 10 40.43 29.19 53.28 < 13 -6 11 107.14 101.50 56.80 < 13 -6 12 34.01 -20.83 46.62 < 13 -6 13 42.94 29.71 70.49 < 13 -5 -10 8238.16 7498.35 536.18 o 13 -5 -9 22.77 39.92 38.48 < 13 -5 -8 5257.55 5117.53 256.80 o 13 -5 -7 23.92 40.41 41.18 < 13 -5 -6 15223.20 14230.70 687.69 o 13 -5 -5 23.74 4.40 24.50 < 13 -5 -4 8944.22 9497.27 465.30 o 13 -5 -3 28.50 16.24 31.23 < 13 -5 -2 22554.60 22911.40 1092.93 o 13 -5 -1 25.73 20.54 25.46 < 13 -5 0 8113.98 8673.79 430.66 o 13 -5 1 26.95 -1.37 31.19 < 13 -5 2 22409.80 19421.00 928.99 o 13 -5 3 27.17 44.51 35.34 < 13 -5 4 9005.39 8246.74 409.34 o 13 -5 5 24.70 -5.44 27.42 < 13 -5 6 15045.00 14658.70 705.74 o 13 -5 7 22.65 -13.69 26.64 < 13 -5 8 5224.11 5368.37 279.23 o 13 -5 9 23.46 -6.81 47.25 < 13 -5 10 8123.25 8237.99 414.59 o 13 -5 11 17.13 13.99 52.13 < 13 -5 12 2601.52 2639.12 155.75 o 13 -5 13 17.31 4.85 52.95 < 13 -4 -9 114.01 97.31 42.26 < 13 -4 -8 42.86 1.55 26.05 < 13 -4 -7 209.18 204.52 44.22 o 13 -4 -6 46.27 -7.29 22.31 < 13 -4 -5 261.12 412.32 53.32 o 13 -4 -4 44.12 6.59 24.46 < 13 -4 -3 325.58 324.50 50.77 o 13 -4 -2 26.95 -7.14 33.67 < 13 -4 -1 341.92 319.79 56.32 o 13 -4 0 38.42 10.29 24.27 < 13 -4 1 343.03 361.36 54.73 o 13 -4 2 26.20 32.12 26.35 < 13 -4 3 326.89 223.21 47.62 o 13 -4 4 45.96 8.03 33.15 < 13 -4 5 261.02 296.18 47.37 o 13 -4 6 45.21 -43.48 42.77 < 13 -4 7 206.70 164.81 53.25 o 13 -4 8 45.35 -41.96 37.37 < 13 -4 9 114.75 110.56 42.15 < 13 -4 10 47.34 -9.55 56.54 < 13 -4 11 110.64 126.29 51.88 < 13 -4 12 37.22 -77.59 45.99 < 13 -4 13 47.20 78.55 76.89 < 13 -3 -9 105.64 114.00 61.28 < 13 -3 -8 29.18 27.42 51.36 < 13 -3 -7 295.13 333.96 46.29 o 13 -3 -6 40.63 -3.40 26.75 < 13 -3 -5 252.43 214.62 44.33 o 13 -3 -4 23.73 8.55 28.68 < 13 -3 -3 451.88 433.72 54.96 o 13 -3 -2 24.32 4.55 24.57 < 13 -3 -1 298.52 352.27 52.58 o 13 -3 0 18.41 29.56 28.12 < 13 -3 1 295.88 290.05 51.88 o 13 -3 2 24.08 4.22 26.38 < 13 -3 3 459.93 376.08 64.79 o 13 -3 4 24.03 -24.50 33.75 < 13 -3 5 252.72 181.99 44.59 o 13 -3 6 39.73 15.73 27.38 < 13 -3 7 296.43 283.11 49.21 o 13 -3 8 29.96 50.88 43.37 < 13 -3 9 103.39 110.71 47.14 < 13 -3 10 36.59 16.65 40.81 < 13 -3 11 155.01 148.53 47.66 o 13 -3 12 32.46 -56.95 57.20 < 13 -3 13 40.98 47.58 91.54 < 13 -2 -9 21.54 -34.00 58.09 < 13 -2 -8 5250.60 4882.91 248.42 o 13 -2 -7 27.22 -15.87 25.46 < 13 -2 -6 17537.40 17844.60 856.03 o 13 -2 -5 21.97 -3.00 38.22 < 13 -2 -4 10218.00 10342.40 505.50 o 13 -2 -3 24.38 -6.03 33.97 < 13 -2 -2 28714.50 27898.70 1327.70 o 13 -2 -1 20.70 26.20 42.66 < 13 -2 0 10820.10 11048.50 540.22 o 13 -2 1 20.61 30.45 28.82 < 13 -2 2 28777.50 27656.80 1320.16 o 13 -2 3 24.88 27.27 27.42 < 13 -2 4 10382.70 10915.60 537.21 o 13 -2 5 22.23 28.23 37.11 < 13 -2 6 17763.80 18000.20 865.47 o 13 -2 7 28.12 14.99 32.38 < 13 -2 8 5331.11 5670.70 295.01 o 13 -2 9 22.14 -58.98 36.45 < 13 -2 10 8190.90 7379.02 372.81 o 13 -2 11 21.63 -22.61 40.85 < 13 -2 12 2345.46 2652.84 165.10 o 13 -2 13 14.67 -20.09 134.54 < 13 -1 -8 40.73 8.58 32.04 < 13 -1 -7 263.79 245.78 58.39 o 13 -1 -6 38.35 -5.70 31.27 < 13 -1 -5 188.26 115.48 34.60 o 13 -1 -4 35.12 55.65 32.71 < 13 -1 -3 345.48 371.69 58.47 o 13 -1 -2 31.26 -37.30 31.34 < 13 -1 -1 340.38 280.63 51.17 o 13 -1 0 23.04 9.03 35.19 < 13 -1 1 344.69 319.48 61.84 o 13 -1 2 30.43 -39.74 43.14 < 13 -1 3 345.88 359.41 78.08 o 13 -1 4 36.73 -26.01 59.91 < 13 -1 5 189.03 207.85 93.99 < 13 -1 6 37.03 -29.12 44.88 < 13 -1 7 266.81 209.80 77.85 < 13 -1 8 42.33 62.46 55.13 < 13 -1 9 72.17 103.20 50.84 < 13 -1 10 46.53 -1.11 48.36 < 13 -1 11 145.90 126.55 57.72 < 13 -1 12 37.30 5.81 66.68 < 13 0 -8 44.69 -15.32 24.01 < 13 0 -7 230.60 296.91 53.03 o 13 0 -6 64.03 -0.56 53.10 < 13 0 -5 147.76 83.44 34.60 < 13 0 -4 40.65 14.25 38.22 < 13 0 -3 303.15 203.15 47.66 o 13 0 -2 48.34 8.14 27.27 < 13 0 -1 173.95 188.12 47.70 o 13 0 0 33.81 -4.59 28.08 < 13 0 1 175.25 179.39 71.16 < 13 0 2 47.82 -39.67 57.17 < 13 0 3 303.96 265.50 99.84 < 13 0 4 40.67 11.03 63.57 < 13 0 5 149.18 95.80 47.73 < 13 0 6 62.58 -15.58 49.14 < 13 0 7 227.99 342.42 85.99 o 13 0 8 45.48 145.64 77.67 < 13 0 9 64.72 22.76 55.10 < 13 0 10 52.68 -14.32 78.85 < 13 0 11 136.28 26.35 59.54 < 13 0 12 44.12 -46.33 69.42 < 13 1 -8 3744.32 2996.24 207.56 o 13 1 -7 16.79 -16.95 44.22 < 13 1 -6 10245.70 9592.66 471.73 o 13 1 -5 20.29 5.74 29.23 < 13 1 -4 5157.35 5090.33 264.12 o 13 1 -3 14.42 10.06 28.90 < 13 1 -2 14866.40 14166.00 685.60 o 13 1 -1 16.38 -75.70 43.85 < 13 1 0 4726.21 4965.90 363.64 o 13 1 1 16.25 5.70 43.44 < 13 1 2 14843.40 16018.20 1092.17 o 13 1 3 14.45 -8.10 44.29 < 13 1 4 5105.75 5576.94 408.93 o 13 1 5 19.81 16.39 47.55 < 13 1 6 10247.90 10993.50 760.11 o 13 1 7 16.63 -4.29 70.93 < 13 1 8 3630.37 3581.28 282.88 o 13 1 9 17.63 0.96 86.21 < 13 1 10 5492.33 5713.14 423.43 o 13 1 11 16.48 2.89 72.26 < 13 2 -8 38.77 -28.16 17.28 < 13 2 -7 260.40 278.09 50.92 o 13 2 -6 36.70 -2.44 36.37 < 13 2 -5 177.54 178.46 56.43 o 13 2 -4 38.94 -0.67 31.23 < 13 2 -3 269.16 314.35 67.68 o 13 2 -2 40.84 -49.88 46.36 < 13 2 -1 246.10 167.58 99.39 < 13 2 0 35.48 -24.79 43.62 < 13 2 1 247.99 239.53 74.08 o 13 2 2 40.31 -17.21 46.18 < 13 2 3 265.65 177.91 100.94 < 13 2 4 39.36 -12.17 48.84 < 13 2 5 173.14 118.49 57.80 < 13 2 6 35.65 -121.40 75.52 < 13 2 7 258.96 170.91 64.46 < 13 2 8 37.94 75.78 64.68 < 13 2 9 94.08 -12.10 65.75 < 13 2 10 36.16 -25.86 73.74 < 13 2 11 179.51 44.03 109.60 < 13 3 -8 37.97 -26.86 24.83 < 13 3 -7 193.35 187.79 64.57 < 13 3 -6 42.54 -12.54 46.10 < 13 3 -5 114.01 175.21 44.59 o 13 3 -4 35.65 -6.81 34.08 < 13 3 -3 239.16 308.08 85.88 o 13 3 -2 34.73 40.26 50.10 < 13 3 -1 152.44 164.85 76.71 < 13 3 0 33.10 27.20 47.40 < 13 3 1 151.47 202.70 77.52 < 13 3 2 34.85 48.55 69.01 < 13 3 3 241.22 276.23 85.11 o 13 3 4 35.83 -18.46 71.23 < 13 3 5 114.00 -25.68 69.90 < 13 3 6 42.39 -17.65 43.26 < 13 3 7 192.14 172.40 51.91 o 13 3 8 38.87 3.55 37.85 < 13 3 9 48.42 -16.87 43.88 < 13 3 10 33.68 191.45 99.31 < 13 4 -8 2484.89 2372.01 124.94 o 13 4 -7 24.81 4.26 27.57 < 13 4 -6 7770.20 7414.65 521.04 o 13 4 -5 24.61 42.03 58.94 < 13 4 -4 3789.34 3728.96 294.11 o 13 4 -3 29.75 2.48 53.91 < 13 4 -2 10649.40 10107.10 710.50 o 13 4 -1 31.56 82.59 75.04 < 13 4 0 3728.01 3632.02 290.83 o 13 4 1 32.58 -52.10 71.34 < 13 4 2 10611.40 11410.80 793.29 o 13 4 3 28.93 -36.34 53.28 < 13 4 4 3787.13 4371.99 228.00 o 13 4 5 25.59 -4.14 34.86 < 13 4 6 7710.77 7747.95 385.57 o 13 4 7 24.01 6.96 41.96 < 13 4 8 2445.36 2673.24 151.10 o 13 4 9 19.64 -15.24 43.51 < 13 4 10 4473.75 4224.88 225.87 o 13 5 -8 51.65 10.73 31.27 < 13 5 -7 75.35 39.30 46.70 < 13 5 -6 51.71 85.51 62.38 < 13 5 -3 109.69 145.27 86.03 < 13 5 -2 43.90 72.63 79.22 < 13 5 -1 165.83 -2.00 56.09 < 13 5 0 33.81 28.60 56.80 < 13 5 1 166.23 -122.78 109.97 < 13 5 2 43.28 -48.92 57.61 < 13 5 3 111.51 75.78 43.11 < 13 5 4 42.86 -17.80 47.62 < 13 5 5 132.09 168.55 50.51 o 13 5 6 50.81 -35.08 46.62 < 13 5 7 76.49 18.24 56.24 < 13 5 8 50.89 -106.12 53.13 < 13 5 9 75.21 66.46 54.02 < 13 6 -8 48.62 -13.73 41.00 < 13 6 -7 85.49 77.30 43.44 < 13 6 -6 53.89 -28.16 39.52 < 13 6 -1 132.98 162.51 87.07 < 13 6 0 36.28 -18.35 107.71 < 13 6 1 132.47 38.67 64.72 < 13 6 2 32.78 -60.57 46.07 < 13 6 3 149.87 127.40 43.03 < 13 6 4 39.97 4.40 48.18 < 13 6 5 123.45 87.69 51.51 < 13 6 6 52.01 78.41 44.07 < 13 6 7 86.69 8.21 60.24 < 13 6 8 48.49 2.85 67.01 < 13 7 -8 1809.85 1392.20 170.12 o 13 7 -7 10.59 88.95 56.28 < 13 7 -6 3989.11 3934.49 289.17 o 13 7 -5 10.59 3.37 52.25 < 13 7 1 11.75 66.57 123.99 < 13 7 2 5400.11 5445.23 280.29 o 13 7 3 15.15 43.25 58.20 < 13 7 4 2734.30 2906.42 165.57 o 13 7 5 10.21 4.37 69.16 < 13 7 6 3971.72 4191.31 227.01 o 13 7 7 11.26 -36.82 72.12 < 13 8 -6 40.81 44.25 69.01 < 13 8 -5 59.02 202.69 92.98 < 13 8 -4 36.09 -12.62 48.25 < 13 8 1 97.86 155.52 69.01 < 13 8 2 43.00 21.83 70.04 < 13 8 3 92.87 11.47 53.54 < 13 8 4 37.37 104.12 71.04 < 13 8 5 58.21 116.70 69.34 < 13 8 6 41.31 31.38 98.09 < 13 9 -4 32.66 -90.76 62.46 < 13 9 -3 120.00 129.32 75.71 < 13 9 1 85.07 10.51 65.34 < 13 9 2 36.25 20.79 64.53 < 13 9 3 119.22 91.39 68.19 < 13 9 4 33.57 44.36 66.31 < 13 9 5 62.26 92.13 82.62 < 13 10 1 10.24 -64.35 59.79 < 13 10 2 4593.80 5057.43 367.98 o 14 -23 -1 80.62 72.89 88.29 < 14 -23 0 35.74 31.41 103.53 < 14 -23 1 80.18 256.75 78.92 o 14 -22 -4 1836.57 1749.25 129.55 o 14 -22 -3 4.54 13.02 51.73 < 14 -22 -2 3711.86 3407.94 191.95 o 14 -22 -1 7.46 -17.28 43.22 < 14 -22 0 1889.50 1956.73 118.58 o 14 -22 1 6.92 -14.65 56.72 < 14 -22 2 3696.08 3596.38 193.23 o 14 -22 3 4.86 48.55 57.76 < 14 -22 4 1854.22 1974.56 175.94 o 14 -21 -6 37.81 35.85 75.63 < 14 -21 -5 69.96 134.87 55.58 < 14 -21 -4 42.94 64.79 63.46 < 14 -21 -3 62.84 84.18 45.51 < 14 -21 -2 32.76 21.72 58.17 < 14 -21 -1 85.78 43.92 52.50 < 14 -21 0 43.30 -21.79 42.55 < 14 -21 1 84.12 38.15 43.33 < 14 -21 2 32.83 -41.29 54.50 < 14 -21 3 63.88 53.10 41.59 < 14 -21 4 42.77 -43.07 39.81 < 14 -21 5 67.21 98.35 54.36 < 14 -21 6 37.64 -66.82 67.90 < 14 -20 -7 24.79 -6.73 92.36 < 14 -20 -6 48.26 19.72 46.84 < 14 -20 -5 82.95 53.06 53.13 < 14 -20 -4 40.11 1.44 38.52 < 14 -20 -3 72.70 37.22 40.29 < 14 -20 -2 41.73 11.54 40.26 < 14 -20 -1 95.67 89.69 55.72 < 14 -20 0 33.36 45.29 40.52 < 14 -20 1 96.06 92.10 59.83 < 14 -20 2 41.65 -29.45 37.22 < 14 -20 3 69.88 9.95 38.41 < 14 -20 4 40.44 -14.50 47.03 < 14 -20 5 85.56 132.13 56.72 < 14 -20 6 48.49 4.37 58.46 < 14 -20 7 23.89 44.70 46.62 < 14 -19 -8 1484.48 1298.19 159.60 o 14 -19 -7 15.46 55.69 41.22 < 14 -19 -6 5297.41 5626.83 286.15 o 14 -19 -5 21.21 -17.76 37.00 < 14 -19 -4 2191.81 2276.32 134.63 o 14 -19 -3 25.81 -29.19 34.04 < 14 -19 -2 7431.14 7789.94 384.62 o 14 -19 -1 28.64 -16.02 33.67 < 14 -19 0 2247.01 2480.46 139.92 o 14 -19 1 28.86 -40.26 43.18 < 14 -19 2 7434.80 8032.86 397.34 o 14 -19 3 26.35 -41.48 36.19 < 14 -19 4 2206.93 2479.91 145.56 o 14 -19 5 22.07 -31.90 39.67 < 14 -19 6 5313.12 5778.69 292.48 o 14 -19 7 16.16 29.82 54.91 < 14 -19 8 1474.49 1466.46 100.47 o 14 -18 -9 85.13 -45.62 123.92 < 14 -18 -8 48.21 68.79 71.27 < 14 -18 -7 117.96 42.81 37.19 < 14 -18 -6 49.45 38.44 35.67 < 14 -18 -5 145.18 95.09 41.96 < 14 -18 -4 36.26 12.54 35.82 < 14 -18 -3 161.07 233.86 55.69 o 14 -18 -2 41.58 -39.81 32.97 < 14 -18 -1 209.27 147.30 39.41 o 14 -18 0 34.55 -74.52 47.14 < 14 -18 1 210.04 130.85 42.89 o 14 -18 2 41.65 -9.10 36.19 < 14 -18 3 160.77 261.52 47.99 o 14 -18 4 35.89 14.47 37.00 < 14 -18 5 146.04 202.70 51.77 o 14 -18 6 48.91 -70.34 45.22 < 14 -18 7 120.23 114.26 45.29 < 14 -18 8 47.42 -15.54 49.21 < 14 -18 9 87.13 58.72 47.29 < 14 -17 -10 35.59 -72.15 101.90 < 14 -17 -9 171.76 180.83 119.15 < 14 -17 -8 32.11 -7.33 42.40 < 14 -17 -7 72.04 33.41 41.70 < 14 -17 -6 33.44 25.98 33.45 < 14 -17 -5 206.58 119.67 52.32 < 14 -17 -4 27.26 51.10 38.56 < 14 -17 -3 169.16 206.51 45.66 o 14 -17 -2 32.22 -29.90 27.16 < 14 -17 -1 238.54 280.11 48.25 o 14 -17 0 24.20 -25.01 42.81 < 14 -17 1 235.22 152.93 36.93 o 14 -17 2 32.57 30.19 29.49 < 14 -17 3 166.81 137.65 47.59 < 14 -17 4 27.12 18.28 37.82 < 14 -17 5 207.92 209.84 47.18 o 14 -17 6 33.83 -25.46 38.93 < 14 -17 7 70.85 71.52 42.26 < 14 -17 8 30.69 -27.34 44.96 < 14 -17 9 174.60 233.00 56.61 o 14 -17 10 35.48 29.42 74.00 < 14 -16 -10 5105.53 4062.94 321.94 o 14 -16 -9 26.19 69.56 97.91 < 14 -16 -8 3022.21 3274.54 180.61 o 14 -16 -7 36.95 25.20 36.71 < 14 -16 -6 8854.75 9095.02 447.61 o 14 -16 -5 32.07 -1.30 29.68 < 14 -16 -4 4715.42 4962.35 254.00 o 14 -16 -3 39.20 16.58 32.64 < 14 -16 -2 12169.30 12604.90 608.75 o 14 -16 -1 37.43 6.29 31.45 < 14 -16 0 4682.52 5079.87 256.81 o 14 -16 1 38.73 16.35 36.11 < 14 -16 2 12134.10 12434.60 598.22 o 14 -16 3 37.66 -18.69 31.82 < 14 -16 4 4728.84 5177.70 265.00 o 14 -16 5 32.95 43.81 46.95 < 14 -16 6 8803.67 9221.04 453.81 o 14 -16 7 35.48 102.09 47.32 < 14 -16 8 3003.95 3213.26 176.23 o 14 -16 9 26.87 25.75 51.69 < 14 -16 10 5074.45 4928.90 255.62 o 14 -15 -11 66.54 -28.49 115.04 < 14 -15 -10 28.35 23.16 60.61 < 14 -15 -9 117.03 73.93 76.19 < 14 -15 -8 41.02 -9.95 41.33 < 14 -15 -7 105.16 82.18 56.65 < 14 -15 -6 26.76 16.54 38.19 < 14 -15 -5 176.87 101.35 35.89 < 14 -15 -4 33.26 -25.94 32.34 < 14 -15 -3 158.78 103.24 35.86 < 14 -15 -2 23.67 -0.67 24.79 < 14 -15 -1 230.93 323.02 51.76 o 14 -15 0 36.09 -36.85 29.34 < 14 -15 1 228.78 359.39 48.25 o 14 -15 2 24.90 -30.60 28.93 < 14 -15 3 157.61 114.71 32.75 o 14 -15 4 33.04 -22.46 28.71 < 14 -15 5 175.66 158.67 51.62 o 14 -15 6 28.42 -24.72 28.93 < 14 -15 7 104.90 107.82 40.29 < 14 -15 8 40.32 39.89 37.74 < 14 -15 9 117.99 120.04 42.52 < 14 -15 10 29.88 -26.38 43.85 < 14 -15 11 64.41 17.69 71.41 < 14 -14 -11 41.88 22.02 108.82 < 14 -14 -10 36.54 -39.63 58.31 < 14 -14 -9 155.90 183.09 50.95 o 14 -14 -8 51.86 -6.33 40.00 < 14 -14 -7 86.69 105.86 47.69 < 14 -14 -6 34.04 -49.73 41.11 < 14 -14 -5 197.88 226.20 43.52 o 14 -14 -4 42.16 -13.14 30.71 < 14 -14 -3 201.23 232.74 46.73 o 14 -14 -2 26.67 -5.62 27.34 < 14 -14 -1 269.93 340.43 46.74 o 14 -14 0 33.78 19.31 23.16 < 14 -14 1 263.28 348.16 51.77 o 14 -14 2 27.49 6.62 28.75 < 14 -14 3 199.87 125.74 37.85 o 14 -14 4 42.10 -4.59 33.12 < 14 -14 5 195.71 246.77 51.77 o 14 -14 6 35.61 28.05 35.15 < 14 -14 7 87.32 190.71 47.73 o 14 -14 8 51.76 -59.46 40.92 < 14 -14 9 154.17 209.62 59.68 o 14 -14 10 38.14 25.57 49.69 < 14 -14 11 42.34 -39.37 65.75 < 14 -13 -11 16.71 -66.20 87.06 < 14 -13 -10 5477.56 5037.47 378.12 o 14 -13 -9 18.33 20.09 56.87 < 14 -13 -8 3740.03 3967.37 209.59 o 14 -13 -7 16.83 28.45 30.71 < 14 -13 -6 10246.60 11256.10 546.05 o 14 -13 -5 20.31 5.40 25.27 < 14 -13 -4 5154.54 4780.32 241.85 o 14 -13 -3 14.44 15.28 23.68 < 14 -13 -2 14860.20 14032.10 673.86 o 14 -13 -1 16.39 -29.86 40.92 < 14 -13 0 4726.36 4578.62 234.29 o 14 -13 1 16.24 17.50 22.79 < 14 -13 2 14849.10 13811.90 664.16 o 14 -13 3 14.42 1.07 36.56 < 14 -13 4 5108.81 5821.30 293.80 o 14 -13 5 19.79 37.45 33.49 < 14 -13 6 10247.00 11568.80 568.32 o 14 -13 7 16.59 -30.42 50.91 < 14 -13 8 3634.77 4151.56 225.57 o 14 -13 9 17.60 18.43 50.32 < 14 -13 10 5487.15 6109.74 311.26 o 14 -13 11 16.44 96.28 70.78 < 14 -13 12 2130.58 2472.48 232.48 o 14 -12 -11 58.90 -40.04 63.31 < 14 -12 -10 45.38 -45.99 81.18 < 14 -12 -9 114.30 103.60 39.70 < 14 -12 -8 74.45 -22.02 35.15 < 14 -12 -7 135.87 82.52 36.11 < 14 -12 -6 53.15 -7.07 33.01 < 14 -12 -5 179.74 175.76 44.73 o 14 -12 -4 52.63 52.39 29.42 < 14 -12 -3 243.93 199.16 44.85 o 14 -12 -2 48.51 -0.85 22.76 < 14 -12 -1 316.95 223.16 41.85 o 14 -12 0 42.59 -6.55 26.53 < 14 -12 1 313.45 248.76 44.81 o 14 -12 2 49.66 43.99 28.49 < 14 -12 3 244.28 285.10 49.88 o 14 -12 4 52.37 -14.95 41.89 < 14 -12 5 177.75 259.77 48.59 o 14 -12 6 55.25 22.94 36.45 < 14 -12 7 140.54 161.73 51.25 o 14 -12 8 75.26 127.32 71.01 < 14 -12 9 110.96 62.68 39.44 < 14 -12 10 48.51 -17.02 41.66 < 14 -12 11 61.17 -11.54 63.46 < 14 -12 12 56.83 37.41 66.31 < 14 -11 -11 43.21 27.57 62.75 < 14 -11 -10 35.93 -74.37 77.52 < 14 -11 -9 182.88 115.15 47.51 < 14 -11 -8 55.19 15.21 41.37 < 14 -11 -7 120.71 185.71 40.44 o 14 -11 -6 34.76 -8.47 27.42 < 14 -11 -5 259.82 211.33 52.73 o 14 -11 -4 49.03 -17.32 34.52 < 14 -11 -3 295.39 240.52 40.48 o 14 -11 -2 21.14 49.55 38.22 < 14 -11 -1 383.41 351.39 44.41 o 14 -11 0 41.99 44.96 48.66 < 14 -11 1 379.11 354.99 58.88 o 14 -11 2 21.69 28.71 26.38 < 14 -11 3 293.65 427.32 54.77 o 14 -11 4 48.87 -19.13 28.19 < 14 -11 5 260.20 227.24 47.18 o 14 -11 6 35.90 -10.55 33.75 < 14 -11 7 123.31 185.38 56.32 o 14 -11 8 55.32 -52.13 64.42 < 14 -11 9 181.63 160.04 55.21 < 14 -11 10 37.44 -75.82 66.71 < 14 -11 11 45.12 30.30 48.69 < 14 -11 12 41.53 -15.87 56.72 < 14 -10 -11 18.35 8.58 108.82 < 14 -10 -10 7768.37 7475.25 534.62 o 14 -10 -9 14.79 29.71 43.18 < 14 -10 -8 5043.98 5298.30 268.43 o 14 -10 -7 24.68 -28.79 26.75 < 14 -10 -6 16587.30 17386.40 833.02 o 14 -10 -5 12.79 -13.88 25.57 < 14 -10 -4 9402.40 9577.04 467.22 o 14 -10 -3 20.45 -10.25 27.60 < 14 -10 -2 26565.00 22970.00 1092.20 o 14 -10 -1 11.65 -21.20 37.00 < 14 -10 0 9789.15 10135.00 500.57 o 14 -10 1 11.30 -1.30 26.05 < 14 -10 2 26674.00 25043.20 1212.29 o 14 -10 3 21.18 -23.90 31.27 < 14 -10 4 9534.09 10089.90 495.23 o 14 -10 5 12.65 40.63 34.26 < 14 -10 6 16787.00 17212.80 829.09 o 14 -10 7 25.68 12.47 35.11 < 14 -10 8 5114.92 5446.70 281.90 o 14 -10 9 15.00 19.54 88.58 < 14 -10 10 7918.28 8528.67 427.21 o 14 -10 11 19.46 -29.08 47.92 < 14 -10 12 2353.72 2557.87 154.83 o 14 -9 -11 108.97 12.88 65.42 < 14 -9 -10 45.01 6.44 75.26 < 14 -9 -9 163.48 97.02 36.00 < 14 -9 -8 47.90 19.80 28.08 < 14 -9 -7 177.99 145.87 44.92 o 14 -9 -6 46.58 43.81 45.99 < 14 -9 -5 215.26 192.37 46.22 o 14 -9 -4 29.28 -6.44 30.42 < 14 -9 -3 270.64 238.87 39.15 o 14 -9 -2 33.65 -19.87 29.53 < 14 -9 -1 326.01 341.27 50.77 o 14 -9 0 21.55 41.11 30.12 < 14 -9 1 322.30 273.07 49.48 o 14 -9 2 34.09 -43.59 49.58 < 14 -9 3 266.91 331.91 61.46 o 14 -9 4 27.77 38.96 29.82 < 14 -9 5 214.40 245.52 54.40 o 14 -9 6 47.00 -22.02 27.31 < 14 -9 7 180.25 99.98 39.52 < 14 -9 8 45.90 -30.67 34.41 < 14 -9 9 162.19 28.94 44.51 < 14 -9 10 45.72 34.82 51.25 < 14 -9 11 111.75 174.76 57.35 o 14 -9 12 39.43 15.61 51.65 < 14 -9 13 88.77 303.31 127.21 < 14 -8 -11 45.82 -13.62 70.93 < 14 -8 -10 48.10 -58.54 61.31 < 14 -8 -9 166.01 167.77 37.11 o 14 -8 -8 42.84 -28.57 36.41 < 14 -8 -7 94.13 71.53 41.66 < 14 -8 -6 47.67 -29.12 36.56 < 14 -8 -5 221.50 236.89 43.89 o 14 -8 -4 34.67 -60.65 32.71 < 14 -8 -3 218.09 262.87 57.21 o 14 -8 -2 40.69 -18.69 34.67 < 14 -8 -1 290.78 352.94 49.84 o 14 -8 0 27.35 15.61 33.30 < 14 -8 1 291.11 302.03 61.43 o 14 -8 2 40.66 -18.87 23.64 < 14 -8 3 212.70 235.71 51.21 o 14 -8 4 34.25 12.58 27.94 < 14 -8 5 224.41 206.62 58.32 o 14 -8 6 47.49 7.33 26.09 < 14 -8 7 94.08 114.41 39.18 < 14 -8 8 41.98 -41.22 44.62 < 14 -8 9 167.81 157.11 46.81 o 14 -8 10 47.75 -3.15 37.59 < 14 -8 11 46.55 89.43 52.10 < 14 -8 12 35.67 53.73 75.26 < 14 -8 13 93.11 270.82 161.18 < 14 -7 -11 10.40 60.53 86.10 < 14 -7 -10 6748.90 6706.96 487.47 o 14 -7 -9 15.05 -1.18 40.33 < 14 -7 -8 5326.97 5612.09 282.13 o 14 -7 -7 12.55 -14.43 25.31 < 14 -7 -6 12666.40 12477.20 603.13 o 14 -7 -5 13.98 14.73 25.75 < 14 -7 -4 9525.14 10505.00 513.88 o 14 -7 -3 10.43 35.63 33.63 < 14 -7 -2 18848.10 21683.40 1037.36 o 14 -7 -1 11.64 15.10 37.78 < 14 -7 0 9469.68 8781.99 434.13 o 14 -7 1 12.39 24.90 28.79 < 14 -7 2 18789.70 18651.40 894.53 o 14 -7 3 9.69 35.04 38.70 < 14 -7 4 9623.37 9585.62 471.13 o 14 -7 5 14.62 27.57 34.63 < 14 -7 6 12570.00 12468.20 603.72 o 14 -7 7 11.85 51.84 44.77 < 14 -7 8 5367.68 5602.89 290.81 o 14 -7 9 15.64 41.52 49.17 < 14 -7 10 6672.07 6995.64 352.50 o 14 -7 11 9.82 -27.97 59.28 < 14 -7 12 2541.88 2739.63 159.75 o 14 -7 13 12.09 -23.09 109.93 < 14 -6 -10 24.39 -92.61 64.94 < 14 -6 -9 343.89 312.19 51.55 o 14 -6 -8 21.18 -26.83 41.11 < 14 -6 -7 100.72 108.53 35.56 o 14 -6 -6 24.39 3.07 24.20 < 14 -6 -5 416.42 291.96 57.95 o 14 -6 -4 19.27 -5.48 27.05 < 14 -6 -3 266.35 283.76 57.32 o 14 -6 -2 28.94 -23.57 25.53 < 14 -6 -1 478.52 536.70 62.02 o 14 -6 0 18.35 30.27 48.43 < 14 -6 1 470.34 440.80 54.48 o 14 -6 2 29.56 19.50 30.05 < 14 -6 3 261.47 197.93 50.40 o 14 -6 4 19.87 -27.38 57.72 < 14 -6 5 415.48 450.33 63.98 o 14 -6 6 24.76 31.01 31.12 < 14 -6 7 96.48 48.29 35.82 < 14 -6 8 20.46 -59.79 36.37 < 14 -6 9 347.47 357.98 60.13 o 14 -6 10 23.84 58.06 64.64 < 14 -6 11 52.12 74.30 51.47 < 14 -6 12 19.27 29.82 51.80 < 14 -6 13 183.47 115.78 116.30 < 14 -5 -10 44.25 -0.63 85.51 < 14 -5 -9 293.62 267.49 49.55 o 14 -5 -8 35.87 19.46 37.70 < 14 -5 -7 85.56 62.31 31.01 < 14 -5 -6 39.63 4.59 35.97 < 14 -5 -5 369.73 491.73 59.13 o 14 -5 -4 33.68 -11.91 32.82 < 14 -5 -3 196.36 217.03 49.40 o 14 -5 -2 35.98 -40.22 26.57 < 14 -5 -1 389.70 324.11 53.21 o 14 -5 0 25.12 -44.77 31.97 < 14 -5 1 384.81 394.61 69.76 o 14 -5 2 35.53 -16.10 24.68 < 14 -5 3 193.26 233.30 47.10 o 14 -5 4 33.01 27.01 44.99 < 14 -5 5 366.37 395.07 54.40 o 14 -5 6 39.04 -48.40 27.09 < 14 -5 7 81.88 135.68 48.84 < 14 -5 8 34.34 -1.78 37.26 < 14 -5 9 295.25 111.38 45.51 < 14 -5 10 43.31 64.53 48.36 < 14 -5 11 38.71 7.51 58.83 < 14 -5 12 28.68 -6.81 52.51 < 14 -5 13 168.02 159.74 113.78 < 14 -4 -10 6935.40 6352.45 465.16 o 14 -4 -9 8.81 -7.66 35.15 < 14 -4 -8 4475.26 4220.78 217.64 o 14 -4 -7 12.85 33.97 36.15 < 14 -4 -6 12953.90 12285.20 597.13 o 14 -4 -5 13.34 5.62 28.08 < 14 -4 -4 7186.74 7709.97 385.02 o 14 -4 -3 15.11 57.65 34.93 < 14 -4 -2 19063.30 20045.20 961.27 o 14 -4 -1 16.10 9.07 27.75 < 14 -4 0 6762.19 7092.53 356.70 o 14 -4 1 15.31 -0.44 35.11 < 14 -4 2 19007.20 20323.20 980.60 o 14 -4 3 15.95 -7.29 37.41 < 14 -4 4 7194.55 6738.14 338.77 o 14 -4 5 12.79 4.14 28.08 < 14 -4 6 12855.10 12522.30 605.05 o 14 -4 7 13.28 -48.03 30.42 < 14 -4 8 4414.88 4238.14 227.47 o 14 -4 9 8.39 -9.81 63.49 < 14 -4 10 6855.16 6785.42 347.62 o 14 -4 11 10.41 -18.61 45.03 < 14 -4 12 2296.60 2142.54 134.74 o 14 -3 -9 147.02 151.34 48.58 o 14 -3 -8 61.12 26.60 31.49 < 14 -3 -7 98.85 53.73 31.49 < 14 -3 -6 52.12 -20.72 41.22 < 14 -3 -5 198.08 214.76 52.62 o 14 -3 -4 38.99 4.66 30.19 < 14 -3 -3 249.29 248.67 53.10 o 14 -3 -2 34.47 -16.28 27.31 < 14 -3 -1 317.92 196.82 49.62 o 14 -3 0 21.62 33.08 43.77 < 14 -3 1 314.02 374.38 57.62 o 14 -3 2 34.31 14.50 38.93 < 14 -3 3 247.72 234.01 52.69 o 14 -3 4 37.93 -6.96 50.14 < 14 -3 5 200.26 181.61 53.62 o 14 -3 6 51.93 -1.63 52.21 < 14 -3 7 102.55 125.81 45.62 < 14 -3 8 60.07 19.54 38.70 < 14 -3 9 146.59 211.95 53.95 o 14 -3 10 55.34 -18.80 52.95 < 14 -3 11 43.68 1.55 54.32 < 14 -3 12 51.02 102.31 50.54 < 14 -2 -9 117.31 44.85 88.03 < 14 -2 -8 60.75 -6.55 43.18 < 14 -2 -7 142.93 143.53 35.60 o 14 -2 -6 46.58 9.73 32.30 < 14 -2 -5 212.51 141.75 44.70 o 14 -2 -4 57.61 17.76 28.64 < 14 -2 -3 256.77 243.75 54.51 o 14 -2 -2 34.11 -6.25 54.39 < 14 -2 -1 341.77 397.25 67.75 o 14 -2 0 40.46 -26.94 32.71 < 14 -2 1 343.80 498.15 69.87 o 14 -2 2 33.70 -32.52 30.01 < 14 -2 3 256.63 116.71 33.89 o 14 -2 4 57.94 33.71 32.30 < 14 -2 5 214.33 247.37 54.88 o 14 -2 6 46.95 32.15 41.26 < 14 -2 7 145.90 208.76 56.98 o 14 -2 8 61.13 48.77 57.02 < 14 -2 9 118.57 208.32 51.03 o 14 -2 10 60.87 91.28 54.84 < 14 -2 11 62.09 55.32 57.54 < 14 -2 12 51.13 66.27 74.56 < 14 -1 -8 3149.43 2821.62 156.12 o 14 -1 -7 17.87 34.12 37.30 < 14 -1 -6 10789.70 10885.40 532.43 o 14 -1 -5 12.96 101.53 61.16 < 14 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50.51 60.76 < 14 0 9 153.98 180.94 73.26 < 14 0 10 38.05 67.05 63.38 < 14 0 11 42.47 112.30 68.49 < 14 1 -8 36.40 -2.15 36.96 < 14 1 -7 170.52 149.24 53.62 < 14 1 -6 27.80 -9.88 37.08 < 14 1 -5 236.23 85.36 42.40 < 14 1 -4 38.21 38.04 46.44 < 14 1 -3 232.34 226.39 50.07 o 14 1 -2 33.91 8.33 32.82 < 14 1 -1 290.23 192.71 58.24 o 14 1 0 29.84 37.41 58.02 < 14 1 1 287.46 277.87 81.78 o 14 1 2 34.03 -40.04 48.18 < 14 1 3 235.05 153.41 78.63 < 14 1 4 38.32 39.04 55.13 < 14 1 5 231.22 227.87 84.48 < 14 1 6 28.89 -37.22 56.58 < 14 1 7 173.35 117.26 65.23 < 14 1 8 35.54 86.10 67.86 < 14 1 9 144.51 213.28 91.91 < 14 1 10 29.42 73.00 90.88 < 14 2 -8 3169.60 3289.92 165.86 o 14 2 -7 27.15 17.76 39.55 < 14 2 -6 10913.50 10141.80 498.43 o 14 2 -5 29.03 -18.39 40.55 < 14 2 -4 5308.88 5037.28 265.62 o 14 2 -3 19.43 24.75 42.81 < 14 2 -2 16028.40 15078.20 730.91 o 14 2 -1 17.22 20.50 50.58 < 14 2 0 5537.85 5655.89 412.88 o 14 2 1 17.05 21.35 48.06 < 14 2 2 16078.40 16571.10 1132.69 o 14 2 3 19.13 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14 4 1 142.29 146.75 84.55 < 14 4 2 52.21 41.44 58.54 < 14 4 3 93.70 42.44 61.68 < 14 4 4 41.50 52.95 62.94 < 14 4 5 135.39 371.51 94.65 o 14 4 6 59.44 -19.83 87.36 < 14 4 7 63.39 -42.55 71.71 < 14 4 8 49.17 48.69 77.41 < 14 4 9 93.98 19.24 148.86 < 14 5 -8 2284.73 1688.06 105.99 o 14 5 -7 6.40 -91.06 45.36 < 14 5 -6 3974.79 3499.97 269.99 o 14 5 -5 4.22 23.87 58.20 < 14 5 -3 5.17 -34.12 66.01 < 14 5 -2 5161.21 4482.44 340.66 o 14 5 -1 6.15 -15.06 65.38 < 14 5 0 3615.43 4133.88 329.50 o 14 5 1 5.90 1.48 61.31 < 14 5 2 5119.29 4728.15 359.29 o 14 5 3 5.85 120.25 69.56 < 14 5 4 3512.53 3635.71 287.92 o 14 5 5 4.32 30.34 86.55 < 14 5 6 3892.44 4377.97 231.43 o 14 5 7 6.98 -31.34 70.41 < 14 5 8 2308.57 2286.90 143.51 o 14 6 -7 33.08 11.40 52.02 < 14 6 -6 42.52 -31.34 48.58 < 14 6 -1 125.57 -14.50 72.01 < 14 6 0 31.20 -20.39 67.01 < 14 6 1 124.38 18.24 122.59 < 14 6 2 44.02 25.86 69.01 < 14 6 3 85.91 95.95 111.86 < 14 6 4 31.91 22.87 52.95 < 14 6 5 118.65 22.94 52.47 < 14 6 6 43.14 -71.30 49.80 < 14 6 7 32.03 47.07 68.97 < 14 7 -6 34.53 -32.82 55.87 < 14 7 -5 71.16 -33.63 90.25 < 14 7 1 89.95 143.83 80.33 < 14 7 2 35.90 33.52 75.89 < 14 7 3 73.97 30.19 77.44 < 14 7 4 42.07 121.66 67.53 < 14 7 5 70.53 54.24 55.80 < 14 7 6 35.08 -39.07 62.35 < 14 8 -4 1366.79 1160.73 132.49 o 14 8 3 4.77 29.12 59.76 < 14 8 4 1357.18 1569.68 145.70 o 15 -22 -4 22.77 -12.17 74.30 < 15 -22 -3 84.71 58.43 50.66 < 15 -22 -2 32.38 24.24 47.69 < 15 -22 -1 71.97 31.38 50.32 < 15 -22 0 18.42 2.66 59.13 < 15 -22 1 71.44 52.13 55.61 < 15 -22 2 32.44 14.65 52.73 < 15 -22 3 85.42 4.07 52.99 < 15 -22 4 22.80 80.33 74.96 < 15 -21 -6 569.87 736.88 116.82 o 15 -21 -5 5.78 -24.38 48.18 < 15 -21 -4 5244.89 4861.11 258.84 o 15 -21 -3 4.51 1.81 42.48 < 15 -21 -2 458.35 461.13 61.83 o 15 -21 -1 3.61 -0.93 37.89 < 15 -21 0 6356.49 6130.81 310.67 o 15 -21 1 3.22 -31.23 44.36 < 15 -21 2 458.52 370.30 55.62 o 15 -21 3 4.81 -1.33 44.92 < 15 -21 4 5212.49 4934.17 256.99 o 15 -21 5 5.32 -62.94 68.56 < 15 -21 6 557.79 1065.54 145.69 o 15 -20 -7 39.86 95.72 117.18 < 15 -20 -6 51.01 -38.26 45.11 < 15 -20 -5 86.55 74.82 47.70 < 15 -20 -4 30.49 -0.63 45.51 < 15 -20 -3 80.20 147.82 50.10 < 15 -20 -2 49.29 42.48 36.00 < 15 -20 -1 110.14 160.15 47.25 o 15 -20 0 23.65 -21.72 41.66 < 15 -20 1 110.45 30.30 48.43 < 15 -20 2 49.53 -9.99 37.59 < 15 -20 3 80.56 63.35 43.96 < 15 -20 4 31.36 -36.37 47.95 < 15 -20 5 86.85 61.24 45.40 < 15 -20 6 52.17 3.26 47.81 < 15 -20 7 41.34 95.69 107.49 < 15 -19 -8 35.64 95.28 117.41 < 15 -19 -7 106.86 1.96 47.77 < 15 -19 -6 38.85 27.12 40.37 < 15 -19 -5 81.67 -19.50 57.43 < 15 -19 -4 27.75 -38.63 36.08 < 15 -19 -3 132.26 154.85 44.29 o 15 -19 -2 28.03 -8.47 34.63 < 15 -19 -1 122.20 124.74 46.66 < 15 -19 0 19.83 -54.13 35.41 < 15 -19 1 124.74 94.02 41.26 < 15 -19 2 27.67 4.51 36.82 < 15 -19 3 131.48 106.83 52.06 < 15 -19 4 28.13 -21.42 38.00 < 15 -19 5 82.76 40.04 44.88 < 15 -19 6 38.25 -28.05 43.74 < 15 -19 7 106.58 82.59 41.37 < 15 -19 8 36.17 -35.00 71.49 < 15 -18 -8 6660.85 7014.53 358.09 o 15 -18 -7 6.79 -50.47 48.62 < 15 -18 -6 874.76 861.37 75.24 o 15 -18 -5 9.94 -25.27 38.44 < 15 -18 -4 10783.90 10504.70 511.66 o 15 -18 -3 2.03 68.79 52.84 < 15 -18 -2 815.92 820.62 68.72 o 15 -18 -1 1.79 16.76 31.97 < 15 -18 0 13808.90 14121.60 680.60 o 15 -18 1 1.82 -3.77 29.97 < 15 -18 2 827.06 873.50 72.79 o 15 -18 3 1.87 11.25 33.41 < 15 -18 4 10838.10 10923.70 532.99 o 15 -18 5 10.06 32.23 58.94 < 15 -18 6 871.29 797.70 73.16 o 15 -18 7 6.71 -1.33 43.11 < 15 -18 8 6778.56 6421.40 322.99 o 15 -18 9 15.37 -31.60 85.51 < 15 -17 -9 151.86 -229.64 109.90 < 15 -17 -8 46.71 61.46 50.73 < 15 -17 -7 55.64 54.10 37.67 < 15 -17 -6 50.05 6.25 34.56 < 15 -17 -5 179.14 121.00 55.10 < 15 -17 -4 40.24 -26.01 32.30 < 15 -17 -3 92.57 98.02 59.31 < 15 -17 -2 45.57 48.21 48.18 < 15 -17 -1 163.16 202.70 47.62 o 15 -17 0 29.69 -5.99 35.45 < 15 -17 1 164.25 128.95 38.48 o 15 -17 2 44.86 -6.85 34.93 < 15 -17 3 89.48 22.76 32.27 < 15 -17 4 39.45 28.08 41.63 < 15 -17 5 179.14 201.99 44.85 o 15 -17 6 49.17 -24.90 35.74 < 15 -17 7 51.94 84.44 36.85 < 15 -17 8 45.04 68.67 60.61 < 15 -17 9 154.68 121.88 62.53 < 15 -16 -10 54.03 3.11 83.00 < 15 -16 -9 60.63 104.35 120.40 < 15 -16 -8 47.24 1.55 45.55 < 15 -16 -7 88.48 108.49 41.81 < 15 -16 -6 51.77 -17.50 41.92 < 15 -16 -5 127.24 85.81 33.89 < 15 -16 -4 38.80 14.13 36.04 < 15 -16 -3 127.17 140.64 38.44 o 15 -16 -2 42.59 63.94 36.26 < 15 -16 -1 160.87 111.34 42.07 < 15 -16 0 28.24 -1.00 26.97 < 15 -16 1 160.28 169.39 55.43 o 15 -16 2 42.03 5.11 37.67 < 15 -16 3 130.75 123.03 46.85 < 15 -16 4 39.47 51.65 50.28 < 15 -16 5 127.86 124.21 54.28 < 15 -16 6 51.19 -35.85 38.26 < 15 -16 7 89.91 80.04 41.92 < 15 -16 8 47.96 9.55 42.11 < 15 -16 9 63.31 -1.70 41.37 < 15 -16 10 54.10 90.69 57.83 < 15 -15 -10 1031.08 962.63 140.08 o 15 -15 -9 9.83 -15.95 72.19 < 15 -15 -8 7197.61 8261.46 409.93 o 15 -15 -7 9.77 -13.95 44.51 < 15 -15 -6 1676.93 1680.08 109.20 o 15 -15 -5 8.60 47.81 35.11 < 15 -15 -4 11850.70 11193.00 543.97 o 15 -15 -3 7.94 26.27 35.30 < 15 -15 -2 1792.91 1760.44 107.20 o 15 -15 -1 5.59 -8.84 27.23 < 15 -15 0 15732.60 15881.60 762.65 o 15 -15 1 6.02 43.74 39.63 < 15 -15 2 1824.95 1666.94 102.34 o 15 -15 3 7.51 17.98 26.86 < 15 -15 4 11820.90 11938.40 578.52 o 15 -15 5 9.12 -35.85 30.79 < 15 -15 6 1703.03 1672.46 106.33 o 15 -15 7 9.47 -61.42 33.82 < 15 -15 8 7233.58 6985.41 346.58 o 15 -15 9 10.28 -32.49 43.29 < 15 -15 10 1042.14 856.85 75.42 o 15 -14 -11 97.09 -2.55 95.54 < 15 -14 -10 28.88 -86.58 118.26 < 15 -14 -9 147.12 130.69 46.55 < 15 -14 -8 36.25 -6.25 38.41 < 15 -14 -7 171.23 182.08 44.51 o 15 -14 -6 27.68 -30.97 35.30 < 15 -14 -5 235.65 223.95 45.96 o 15 -14 -4 38.06 -37.15 33.82 < 15 -14 -3 233.09 308.96 53.10 o 15 -14 -2 33.85 -11.62 25.24 < 15 -14 -1 289.25 264.51 51.70 o 15 -14 0 29.83 -1.92 27.46 < 15 -14 1 288.43 165.03 36.78 o 15 -14 2 34.09 -1.89 32.75 < 15 -14 3 234.30 205.12 39.71 o 15 -14 4 38.46 -62.09 37.41 < 15 -14 5 231.76 215.80 56.13 o 15 -14 6 29.01 22.76 41.44 < 15 -14 7 172.63 145.27 57.84 < 15 -14 8 35.70 -31.23 46.25 < 15 -14 9 144.85 142.64 64.23 < 15 -14 10 29.54 17.98 61.46 < 15 -14 11 98.39 41.37 129.54 < 15 -13 -11 178.93 -52.06 90.47 < 15 -13 -10 37.84 35.89 71.41 < 15 -13 -9 96.65 81.37 48.55 < 15 -13 -8 38.63 30.01 36.37 < 15 -13 -7 261.07 226.34 53.95 o 15 -13 -6 36.60 33.34 44.59 < 15 -13 -5 176.79 96.51 35.12 < 15 -13 -4 38.81 1.37 36.26 < 15 -13 -3 269.78 343.53 48.73 o 15 -13 -2 40.79 35.41 30.60 < 15 -13 -1 245.23 206.86 42.15 o 15 -13 0 35.48 -2.15 24.24 < 15 -13 1 248.87 190.48 43.00 o 15 -13 2 40.35 22.94 32.27 < 15 -13 3 265.04 324.27 55.14 o 15 -13 4 39.50 9.14 34.49 < 15 -13 5 173.86 269.63 55.65 o 15 -13 6 35.74 0.26 37.63 < 15 -13 7 258.31 186.68 53.06 o 15 -13 8 38.08 -10.10 42.85 < 15 -13 9 94.48 150.34 58.72 < 15 -13 10 36.25 145.12 64.83 < 15 -13 11 179.15 93.17 64.35 < 15 -12 -11 8.05 20.54 105.71 < 15 -12 -10 1261.91 1299.38 145.23 o 15 -12 -9 11.37 -3.11 48.80 < 15 -12 -8 9280.96 9829.06 481.44 o 15 -12 -7 5.14 37.22 35.89 < 15 -12 -6 1708.32 1725.30 106.86 o 15 -12 -5 9.42 -6.18 30.01 < 15 -12 -4 14786.60 13901.90 667.38 o 15 -12 -3 3.09 10.43 24.38 < 15 -12 -2 1304.58 1177.74 79.65 o 15 -12 -1 6.35 -15.54 23.68 < 15 -12 0 19670.00 18649.80 890.63 o 15 -12 1 6.11 -30.12 40.04 < 15 -12 2 1321.44 1328.77 97.97 o 15 -12 3 3.24 -45.55 41.92 < 15 -12 4 14627.40 14798.00 717.68 o 15 -12 5 9.05 55.24 37.89 < 15 -12 6 1687.63 1883.50 122.77 o 15 -12 7 5.13 36.93 54.02 < 15 -12 8 9206.82 10445.20 518.35 o 15 -12 9 10.58 -7.40 40.52 < 15 -12 10 1238.62 1536.98 108.32 o 15 -12 11 7.93 -6.55 50.58 < 15 -12 12 4652.70 3640.60 319.94 o 15 -11 -12 51.52 -54.21 96.69 < 15 -11 -11 79.77 -28.27 77.33 < 15 -11 -10 48.57 72.63 83.73 < 15 -11 -9 86.86 79.15 47.55 < 15 -11 -8 62.68 42.96 33.67 < 15 -11 -7 160.71 167.91 59.61 < 15 -11 -6 35.41 -1.74 34.23 < 15 -11 -5 178.40 278.45 50.55 o 15 -11 -4 62.32 -14.43 27.01 < 15 -11 -3 223.20 199.51 44.55 o 15 -11 -2 24.92 3.92 22.94 < 15 -11 -1 270.84 235.36 46.70 o 15 -11 0 44.98 0.11 34.52 < 15 -11 1 277.35 257.68 56.80 o 15 -11 2 24.29 -20.42 36.82 < 15 -11 3 221.33 171.44 58.17 < 15 -11 4 63.10 18.54 29.05 < 15 -11 5 180.30 221.34 61.20 o 15 -11 6 35.22 72.89 48.95 < 15 -11 7 160.59 211.66 55.80 o 15 -11 8 63.56 17.87 42.48 < 15 -11 9 87.82 119.81 46.70 < 15 -11 10 48.65 -64.31 53.43 < 15 -11 11 80.25 34.37 63.01 < 15 -11 12 52.97 64.20 113.71 < 15 -10 -11 114.35 27.83 90.80 < 15 -10 -10 51.41 2.89 63.12 < 15 -10 -9 50.86 88.06 42.77 < 15 -10 -8 53.46 -63.72 32.45 < 15 -10 -7 203.22 290.80 55.21 o 15 -10 -6 51.74 9.32 33.63 < 15 -10 -5 140.81 206.40 51.40 o 15 -10 -4 43.11 -11.91 32.97 < 15 -10 -3 250.76 229.74 41.92 o 15 -10 -2 49.82 34.89 42.44 < 15 -10 -1 274.37 281.24 50.48 o 15 -10 0 29.43 -72.00 43.77 < 15 -10 1 278.70 358.80 53.58 o 15 -10 2 49.70 54.06 36.11 < 15 -10 3 249.61 208.89 45.55 o 15 -10 4 44.98 20.46 49.36 < 15 -10 5 140.88 208.69 54.54 o 15 -10 6 52.18 -32.34 32.78 < 15 -10 7 205.30 252.55 59.54 o 15 -10 8 55.60 27.75 50.47 < 15 -10 9 50.14 149.93 55.61 < 15 -10 10 52.67 27.49 44.40 < 15 -10 11 115.81 99.91 62.79 < 15 -10 12 45.54 24.50 71.41 < 15 -9 -11 18.80 -66.38 74.67 < 15 -9 -10 1527.43 1463.97 98.29 o 15 -9 -9 11.33 10.29 45.40 < 15 -9 -8 10724.30 11160.10 543.19 o 15 -9 -7 19.28 -54.24 34.19 < 15 -9 -6 2179.50 2093.34 123.86 o 15 -9 -5 8.04 -18.28 27.79 < 15 -9 -4 17523.90 16949.80 815.38 o 15 -9 -3 14.08 -25.64 33.86 < 15 -9 -2 1834.42 1806.05 117.22 o 15 -9 -1 5.91 -4.74 26.23 < 15 -9 0 23798.10 24061.50 1156.34 o 15 -9 1 6.12 38.89 28.75 < 15 -9 2 1849.35 1954.62 120.50 o 15 -9 3 14.18 -29.71 43.37 < 15 -9 4 17374.20 18031.00 865.72 o 15 -9 5 8.36 -3.26 31.64 < 15 -9 6 2139.92 2196.39 128.41 o 15 -9 7 19.40 21.76 41.37 < 15 -9 8 10680.80 11360.20 556.75 o 15 -9 9 11.22 61.79 43.29 < 15 -9 10 1484.63 1459.75 100.02 o 15 -9 11 18.78 -24.86 51.58 < 15 -9 12 5243.45 4837.32 260.00 o 15 -8 -11 68.73 64.01 99.42 < 15 -8 -10 57.84 -0.93 37.41 < 15 -8 -9 112.64 123.40 47.47 < 15 -8 -8 42.29 0.96 31.12 < 15 -8 -7 154.15 84.55 42.88 < 15 -8 -6 43.96 21.42 29.01 < 15 -8 -5 220.14 182.17 59.06 o 15 -8 -4 34.95 -10.80 25.42 < 15 -8 -3 213.90 266.67 53.65 o 15 -8 -2 26.04 -12.54 30.12 < 15 -8 -1 269.76 260.08 59.39 o 15 -8 0 26.13 -15.91 26.68 < 15 -8 1 277.15 150.11 46.62 o 15 -8 2 25.10 -3.26 26.94 < 15 -8 3 211.85 270.13 59.17 o 15 -8 4 34.65 -30.86 28.68 < 15 -8 5 222.69 190.74 45.40 o 15 -8 6 42.67 13.84 41.77 < 15 -8 7 151.94 127.66 44.63 < 15 -8 8 41.63 2.22 47.88 < 15 -8 9 115.11 78.29 67.01 < 15 -8 10 56.78 -51.21 45.70 < 15 -8 11 67.09 94.84 50.62 < 15 -8 12 41.58 20.42 60.65 < 15 -7 -11 77.58 112.96 97.65 < 15 -7 -10 54.73 133.50 71.82 < 15 -7 -9 171.70 76.52 49.77 < 15 -7 -8 44.31 -12.77 43.18 < 15 -7 -7 161.73 140.16 37.22 o 15 -7 -6 51.93 -38.48 27.05 < 15 -7 -5 288.27 196.09 49.62 o 15 -7 -4 31.58 -15.84 40.11 < 15 -7 -3 255.22 341.08 69.56 o 15 -7 -2 47.57 29.31 38.48 < 15 -7 -1 392.45 440.14 67.98 o 15 -7 0 25.25 25.12 37.45 < 15 -7 1 398.11 324.50 62.79 o 15 -7 2 47.20 -16.47 36.00 < 15 -7 3 251.21 153.87 43.15 o 15 -7 4 31.83 56.54 28.57 < 15 -7 5 291.65 307.74 56.32 o 15 -7 6 50.80 14.32 38.04 < 15 -7 7 160.59 107.12 43.07 < 15 -7 8 43.94 -24.50 56.69 < 15 -7 9 176.34 130.10 48.10 < 15 -7 10 53.75 -40.29 51.10 < 15 -7 11 75.12 43.07 46.10 < 15 -7 12 40.06 -4.37 62.98 < 15 -6 -10 1033.58 792.49 147.07 o 15 -6 -9 37.34 59.76 48.40 < 15 -6 -8 15634.90 15534.20 744.86 o 15 -6 -7 27.86 -11.25 42.96 < 15 -6 -6 1705.59 1622.46 104.53 o 15 -6 -5 28.96 -40.85 35.19 < 15 -6 -4 28095.10 29184.40 1388.68 o 15 -6 -3 20.25 17.69 29.53 < 15 -6 -2 1601.85 1598.79 110.94 o 15 -6 -1 15.69 23.42 30.01 < 15 -6 0 38921.10 41709.60 1979.04 o 15 -6 1 14.73 -19.65 29.16 < 15 -6 2 1641.40 1619.95 105.79 o 15 -6 3 20.79 -19.94 37.78 < 15 -6 4 28220.30 26814.60 1280.38 o 15 -6 5 28.09 13.69 52.06 < 15 -6 6 1711.14 1891.26 113.56 o 15 -6 7 28.33 4.66 34.93 < 15 -6 8 15915.30 14668.60 711.57 o 15 -6 9 37.15 -0.22 44.77 < 15 -6 10 1013.22 886.99 90.56 o 15 -6 11 28.37 -36.56 57.28 < 15 -6 12 6866.04 6331.13 331.52 o 15 -5 -10 37.03 -23.98 128.58 < 15 -5 -9 119.10 99.43 40.22 < 15 -5 -8 42.40 27.64 45.77 < 15 -5 -7 129.72 172.65 45.62 o 15 -5 -6 39.18 -12.73 44.99 < 15 -5 -5 213.94 214.81 51.70 o 15 -5 -4 42.53 9.44 38.22 < 15 -5 -3 185.25 198.51 47.47 o 15 -5 -2 28.03 3.66 42.22 < 15 -5 -1 231.24 337.42 56.80 o 15 -5 0 41.05 29.53 29.82 < 15 -5 1 234.12 121.77 52.17 < 15 -5 2 28.12 40.63 45.55 < 15 -5 3 189.06 254.85 51.58 o 15 -5 4 42.53 78.41 42.89 < 15 -5 5 214.20 224.12 54.21 o 15 -5 6 39.68 28.31 38.07 < 15 -5 7 131.18 105.13 48.14 < 15 -5 8 43.15 29.49 50.47 < 15 -5 9 119.75 174.20 56.09 o 15 -5 10 37.56 31.38 55.21 < 15 -5 11 58.55 5.92 56.95 < 15 -5 12 35.75 20.20 71.89 < 15 -4 -10 36.01 -5.81 78.55 < 15 -4 -9 86.88 108.42 51.43 < 15 -4 -8 57.29 -26.75 35.34 < 15 -4 -7 143.18 93.58 38.04 < 15 -4 -6 38.24 27.38 36.89 < 15 -4 -5 138.10 111.45 41.18 < 15 -4 -4 48.67 -15.65 51.73 < 15 -4 -3 174.48 217.68 59.83 o 15 -4 -2 28.96 41.22 37.67 < 15 -4 -1 225.85 270.25 53.88 o 15 -4 0 46.85 -22.35 29.79 < 15 -4 1 227.13 264.30 53.73 o 15 -4 2 29.18 31.53 32.08 < 15 -4 3 172.14 199.38 57.76 o 15 -4 4 48.47 -85.96 54.98 < 15 -4 5 136.01 150.34 63.57 < 15 -4 6 38.25 33.89 42.63 < 15 -4 7 144.74 165.33 62.57 < 15 -4 8 57.30 59.54 53.87 < 15 -4 9 84.72 89.69 46.95 < 15 -4 10 36.44 -10.88 56.76 < 15 -4 11 85.70 149.45 58.98 < 15 -4 12 40.54 175.46 115.78 < 15 -3 -9 8.49 -60.68 46.99 < 15 -3 -8 8671.21 8302.78 409.53 o 15 -3 -7 18.28 82.00 56.35 < 15 -3 -6 2213.35 2354.17 137.93 o 15 -3 -5 8.71 56.17 46.66 < 15 -3 -4 13771.30 14084.40 683.29 o 15 -3 -3 16.50 -23.24 37.85 < 15 -3 -2 2067.45 2184.97 133.50 o 15 -3 -1 12.10 7.99 31.93 < 15 -3 0 18372.40 18705.80 900.25 o 15 -3 1 12.30 -20.54 31.82 < 15 -3 2 2088.45 2225.62 135.63 o 15 -3 3 16.85 7.92 33.82 < 15 -3 4 13620.20 13676.10 668.47 o 15 -3 5 9.11 11.84 44.40 < 15 -3 6 2203.13 2437.62 152.48 o 15 -3 7 18.77 -137.39 79.63 < 15 -3 8 8603.83 9458.67 469.92 o 15 -3 9 8.39 19.54 66.75 < 15 -3 10 1475.07 1486.83 119.97 o 15 -3 11 15.87 -14.99 65.90 < 15 -3 12 4366.53 4405.57 351.19 o 15 -2 -9 99.43 94.13 93.39 < 15 -2 -8 34.52 25.90 55.39 < 15 -2 -7 195.15 240.03 55.58 o 15 -2 -6 36.17 -25.42 46.25 < 15 -2 -5 195.55 144.87 43.37 o 15 -2 -4 31.53 -1.63 32.52 < 15 -2 -3 223.10 337.08 59.57 o 15 -2 -2 31.97 1.04 32.60 < 15 -2 -1 206.66 278.42 56.69 o 15 -2 0 29.70 5.00 57.80 < 15 -2 1 206.17 201.80 52.13 o 15 -2 2 32.71 14.80 33.60 < 15 -2 3 225.78 212.85 50.59 o 15 -2 4 30.80 -22.61 41.92 < 15 -2 5 191.81 236.33 56.69 o 15 -2 6 37.73 -31.71 39.22 < 15 -2 7 193.27 318.45 64.20 o 15 -2 8 34.41 30.27 46.55 < 15 -2 9 96.36 93.69 66.49 < 15 -2 10 29.33 -57.94 73.11 < 15 -2 11 120.30 182.05 75.56 < 15 -1 -8 41.19 1.48 38.00 < 15 -1 -7 105.59 136.68 58.13 < 15 -1 -6 26.87 -50.65 39.00 < 15 -1 -5 176.35 155.08 59.09 < 15 -1 -4 33.38 0.70 37.63 < 15 -1 -3 159.34 165.47 44.92 o 15 -1 -2 23.75 -40.04 39.74 < 15 -1 -1 230.04 243.90 57.39 o 15 -1 0 36.09 2.66 34.26 < 15 -1 1 229.66 170.84 49.10 o 15 -1 2 24.82 -2.63 34.56 < 15 -1 3 157.06 77.52 45.81 < 15 -1 4 32.92 -22.98 58.94 < 15 -1 5 176.17 160.77 57.65 < 15 -1 6 28.30 67.31 57.46 < 15 -1 7 104.47 53.65 50.88 < 15 -1 8 40.15 2.52 49.69 < 15 -1 9 118.23 84.88 73.30 < 15 -1 10 29.81 -14.73 75.85 < 15 -1 11 64.16 -77.04 80.07 < 15 0 -8 7198.09 6225.32 316.01 o 15 0 -7 9.76 44.55 50.28 < 15 0 -6 1679.27 1852.96 118.13 o 15 0 -5 8.58 59.91 46.84 < 15 0 -4 11850.60 11622.00 569.43 o 15 0 -3 7.93 -27.34 49.10 < 15 0 -2 1793.83 1872.77 120.00 o 15 0 -1 5.58 25.09 35.41 < 15 0 0 15732.70 15668.20 758.84 o 15 0 1 6.02 16.35 43.14 < 15 0 2 1824.32 1631.83 111.35 o 15 0 3 7.52 128.88 77.37 < 15 0 4 11821.00 13152.20 906.79 o 15 0 5 9.14 77.37 98.16 < 15 0 6 1700.84 1665.94 180.16 o 15 0 7 9.48 -37.00 64.64 < 15 0 8 7233.01 7823.00 559.47 o 15 0 9 10.29 -111.34 51.21 < 15 0 10 1040.40 1101.81 97.93 o 15 0 11 8.80 5.99 83.29 < 15 1 -8 44.61 25.27 49.62 < 15 1 -7 170.89 110.04 47.99 < 15 1 -6 48.96 -85.88 62.35 < 15 1 -5 157.66 120.67 54.17 < 15 1 -4 33.50 40.18 48.55 < 15 1 -3 225.10 196.15 60.76 o 15 1 -2 34.07 -20.50 42.88 < 15 1 -1 196.31 77.12 38.00 < 15 1 0 28.95 27.01 44.99 < 15 1 1 199.18 238.10 112.93 < 15 1 2 33.94 31.93 55.10 < 15 1 3 227.46 192.09 87.96 < 15 1 4 32.12 -3.40 58.83 < 15 1 5 160.31 101.94 65.05 < 15 1 6 48.09 68.60 67.79 < 15 1 7 171.95 128.03 88.70 < 15 1 8 43.18 32.01 73.97 < 15 1 9 70.69 32.86 79.44 < 15 1 10 51.03 -28.49 98.76 < 15 2 -8 51.63 39.55 32.64 < 15 2 -7 115.73 104.31 92.17 < 15 2 -6 57.43 41.92 43.14 < 15 2 -5 141.90 73.97 57.98 < 15 2 -4 35.73 19.50 60.79 < 15 2 -3 161.52 42.59 62.98 < 15 2 -2 48.04 17.95 45.36 < 15 2 -1 199.49 137.80 62.91 < 15 2 0 31.77 -28.42 77.15 < 15 2 1 197.20 275.85 88.36 o 15 2 2 48.08 105.49 80.40 < 15 2 3 161.76 157.38 66.61 < 15 2 4 33.90 21.42 62.83 < 15 2 5 140.19 47.62 87.92 < 15 2 6 56.87 269.63 94.06 < 15 2 7 118.49 78.15 77.08 < 15 2 8 48.77 245.47 129.02 < 15 2 9 95.99 246.06 151.04 < 15 3 -8 5604.27 5090.68 255.95 o 15 3 -7 5.35 -0.74 64.49 < 15 3 -6 911.13 693.26 100.22 o 15 3 -5 4.73 27.01 53.54 < 15 3 -4 8624.50 8331.51 418.67 o 15 3 -3 3.01 -21.13 41.74 < 15 3 -2 717.13 800.75 118.42 o 15 3 -1 3.72 3.37 61.50 < 15 3 0 10889.00 10277.10 726.33 o 15 3 1 3.61 51.99 60.28 < 15 3 2 720.43 782.67 115.61 o 15 3 3 3.10 15.39 62.13 < 15 3 4 8599.57 8489.03 600.33 o 15 3 5 4.73 -118.92 65.90 < 15 3 6 892.94 862.77 149.58 o 15 3 7 5.33 185.08 98.79 < 15 3 8 5626.07 4839.51 368.67 o 15 4 -8 44.89 12.58 47.10 < 15 4 -7 115.10 23.90 55.61 < 15 4 -6 51.90 81.48 81.44 < 15 4 -5 91.44 91.47 62.79 < 15 4 -4 48.69 74.89 53.47 < 15 4 -3 132.74 120.25 50.40 < 15 4 -2 42.37 23.57 65.05 < 15 4 -1 101.90 225.46 124.29 < 15 4 0 49.19 42.00 68.08 < 15 4 1 104.51 16.10 64.20 < 15 4 2 42.35 -2.52 69.04 < 15 4 3 131.10 89.99 68.71 < 15 4 4 48.67 20.28 88.80 < 15 4 5 92.10 23.72 93.69 < 15 4 6 51.81 -55.76 77.41 < 15 4 7 111.73 14.91 109.12 < 15 5 -7 60.35 118.03 67.31 < 15 5 -6 46.85 -150.89 92.02 < 15 5 -5 103.90 68.94 120.59 < 15 5 -4 47.58 -89.43 98.50 < 15 5 -3 107.52 9.07 74.19 < 15 5 -2 45.84 12.54 68.64 < 15 5 -1 138.04 117.96 73.82 < 15 5 0 47.34 -50.29 69.04 < 15 5 1 139.39 185.45 75.48 < 15 5 2 46.22 53.95 131.21 < 15 5 3 104.81 336.43 137.43 < 15 5 4 48.61 -6.25 91.95 < 15 5 5 105.22 48.77 81.33 < 15 5 6 47.76 201.96 110.93 < 15 6 -6 414.40 241.74 119.22 < 15 6 -5 16.92 -9.29 95.54 < 15 6 -1 15.67 20.02 75.78 < 15 6 0 7696.97 7065.03 511.19 o 15 6 1 15.13 79.96 81.11 < 15 6 2 264.77 389.98 111.75 o 15 6 3 18.48 -47.47 100.87 < 15 6 4 6358.56 4719.57 375.45 o 15 6 5 16.01 -50.43 118.11 < 15 7 1 61.86 53.76 110.86 < 15 7 2 28.41 2.66 113.89 < 16 -22 -3 111.55 197.03 90.76 < 16 -22 -2 24.54 101.75 60.87 < 16 -22 -1 74.95 108.68 57.35 < 16 -22 0 36.85 -13.06 49.88 < 16 -22 1 74.90 25.01 52.25 < 16 -22 2 24.35 -112.22 62.83 < 16 -22 3 112.08 -49.25 68.12 < 16 -21 -5 77.32 14.50 74.67 < 16 -21 -4 35.88 -25.94 53.65 < 16 -21 -3 102.15 48.62 49.88 < 16 -21 -2 25.01 21.09 42.29 < 16 -21 -1 89.48 51.47 41.59 < 16 -21 0 38.39 -41.96 50.65 < 16 -21 1 90.53 56.02 48.58 < 16 -21 2 25.37 -5.33 39.48 < 16 -21 3 101.63 27.60 62.46 < 16 -21 4 36.14 35.48 62.64 < 16 -21 5 75.62 83.03 69.56 < 16 -20 -6 3452.93 2879.20 169.58 o 16 -20 -5 10.30 -10.77 44.22 < 16 -20 -4 1980.02 1927.55 124.39 o 16 -20 -3 7.03 66.90 52.73 < 16 -20 -2 4509.74 4761.50 245.82 o 16 -20 -1 7.14 30.30 37.15 < 16 -20 0 1924.52 2000.95 121.74 o 16 -20 1 6.69 -28.34 36.93 < 16 -20 2 4497.67 4900.86 251.84 o 16 -20 3 7.39 -6.70 46.25 < 16 -20 4 1959.06 1997.98 121.04 o 16 -20 5 9.71 -50.21 56.61 < 16 -20 6 3433.88 2950.60 166.71 o 16 -19 -7 91.72 20.05 50.62 < 16 -19 -6 48.37 77.81 61.13 < 16 -19 -5 79.47 104.12 62.05 < 16 -19 -4 38.21 46.03 42.88 < 16 -19 -3 127.76 95.83 38.96 < 16 -19 -2 40.27 51.58 42.44 < 16 -19 -1 91.21 -43.07 47.92 < 16 -19 0 35.03 -12.40 41.22 < 16 -19 1 92.12 40.26 40.07 < 16 -19 2 40.22 -0.81 37.48 < 16 -19 3 128.00 158.81 53.99 < 16 -19 4 39.06 -10.73 46.14 < 16 -19 5 81.49 128.69 55.24 < 16 -19 6 48.30 -24.49 40.37 < 16 -19 7 90.53 33.75 60.13 < 16 -18 -8 44.30 -15.17 81.18 < 16 -18 -7 79.29 112.63 62.46 < 16 -18 -6 44.76 3.40 50.80 < 16 -18 -5 111.17 144.56 60.42 < 16 -18 -4 45.29 -7.88 35.41 < 16 -18 -3 101.08 62.79 35.49 < 16 -18 -2 30.16 70.71 41.81 < 16 -18 -1 111.16 54.54 61.57 < 16 -18 0 46.65 -16.28 37.85 < 16 -18 1 111.17 139.50 55.10 < 16 -18 2 30.39 -15.95 33.78 < 16 -18 3 103.11 110.89 43.33 < 16 -18 4 45.67 45.92 42.70 < 16 -18 5 109.93 110.42 60.28 < 16 -18 6 45.28 -21.16 46.18 < 16 -18 7 78.85 35.63 46.33 < 16 -18 8 45.64 -51.25 52.39 < 16 -17 -9 10.02 53.87 84.14 < 16 -17 -8 2470.00 2761.27 169.20 o 16 -17 -7 7.41 46.14 45.59 < 16 -17 -6 5101.20 4772.15 250.30 o 16 -17 -5 10.00 -90.51 51.10 < 16 -17 -4 3825.23 3984.61 210.33 o 16 -17 -3 5.67 -32.15 33.04 < 16 -17 -2 6634.63 6887.76 343.64 o 16 -17 -1 8.48 18.80 39.81 < 16 -17 0 3928.82 4434.22 228.79 o 16 -17 1 8.27 -37.45 32.49 < 16 -17 2 6585.25 6705.52 331.96 o 16 -17 3 6.35 32.60 34.67 < 16 -17 4 3845.47 4211.06 222.13 o 16 -17 5 10.22 5.81 37.04 < 16 -17 6 5005.59 5021.99 259.38 o 16 -17 7 7.94 -43.37 35.67 < 16 -17 8 2471.53 2250.89 132.54 o 16 -17 9 10.17 -8.29 116.26 < 16 -16 -9 61.86 50.43 67.34 < 16 -16 -8 44.56 36.67 65.97 < 16 -16 -7 111.23 69.05 50.14 < 16 -16 -6 48.10 23.46 44.18 < 16 -16 -5 125.89 82.74 47.66 < 16 -16 -4 40.46 -28.68 33.97 < 16 -16 -3 178.26 119.89 49.62 < 16 -16 -2 30.81 3.63 36.96 < 16 -16 -1 141.19 155.60 51.95 < 16 -16 0 35.83 -3.89 39.70 < 16 -16 1 138.70 61.94 51.62 < 16 -16 2 30.64 3.55 28.08 < 16 -16 3 183.47 62.31 62.39 < 16 -16 4 40.24 72.26 40.85 < 16 -16 5 127.32 206.69 51.28 o 16 -16 6 47.56 36.96 36.04 < 16 -16 7 112.94 84.33 41.18 < 16 -16 8 44.69 27.45 44.55 < 16 -16 9 62.97 68.86 43.88 < 16 -15 -10 52.16 38.37 109.04 < 16 -15 -9 69.26 146.78 80.51 < 16 -15 -8 44.44 8.44 49.88 < 16 -15 -7 170.33 234.86 55.54 o 16 -15 -6 48.76 12.40 44.44 < 16 -15 -5 158.30 131.47 41.52 o 16 -15 -4 33.36 6.77 36.19 < 16 -15 -3 224.37 304.43 66.24 o 16 -15 -2 33.98 -5.07 28.94 < 16 -15 -1 197.10 117.40 40.59 < 16 -15 0 28.95 -15.36 44.70 < 16 -15 1 198.38 131.96 38.93 o 16 -15 2 34.02 -19.54 28.05 < 16 -15 3 228.21 196.18 44.59 o 16 -15 4 32.25 63.12 52.91 < 16 -15 5 159.66 155.82 40.59 o 16 -15 6 48.28 9.73 37.30 < 16 -15 7 172.52 145.23 60.87 < 16 -15 8 43.34 7.44 42.81 < 16 -15 9 70.40 43.22 68.45 < 16 -15 10 51.23 -41.07 68.97 < 16 -14 -10 5644.79 4643.24 376.09 o 16 -14 -9 30.15 104.86 68.16 < 16 -14 -8 3175.04 3493.30 192.64 o 16 -14 -7 27.13 -17.58 49.06 < 16 -14 -6 10912.60 11610.50 565.22 o 16 -14 -5 28.94 -11.32 39.41 < 16 -14 -4 5312.44 5315.62 269.42 o 16 -14 -3 19.42 -16.61 45.22 < 16 -14 -2 16032.20 15148.10 727.84 o 16 -14 -1 17.19 6.99 35.30 < 16 -14 0 5537.94 5423.85 273.12 o 16 -14 1 17.08 23.20 35.82 < 16 -14 2 16074.70 15377.40 741.83 o 16 -14 3 19.15 -44.33 35.52 < 16 -14 4 5366.46 5575.88 286.17 o 16 -14 5 28.84 -15.02 54.43 < 16 -14 6 11034.40 12363.80 605.92 o 16 -14 7 27.04 -68.42 47.95 < 16 -14 8 3199.00 3587.04 195.85 o 16 -14 9 30.60 -2.26 58.94 < 16 -14 10 5762.80 5653.62 296.86 o 16 -13 -10 34.07 29.82 77.33 < 16 -13 -9 50.04 71.86 67.75 < 16 -13 -8 37.87 -91.62 48.69 < 16 -13 -7 193.17 187.27 45.40 o 16 -13 -6 42.39 -32.67 36.26 < 16 -13 -5 114.06 125.03 60.46 < 16 -13 -4 35.55 -34.52 27.90 < 16 -13 -3 238.98 360.12 49.73 o 16 -13 -2 34.67 -4.48 26.90 < 16 -13 -1 152.57 76.41 35.19 < 16 -13 0 33.10 25.38 37.59 < 16 -13 1 151.34 119.52 35.93 o 16 -13 2 34.91 -6.66 31.45 < 16 -13 3 241.41 189.38 43.07 o 16 -13 4 35.93 24.16 33.82 < 16 -13 5 113.95 123.29 54.32 < 16 -13 6 42.54 29.38 40.70 < 16 -13 7 192.34 292.61 62.53 o 16 -13 8 38.97 14.02 67.34 < 16 -13 9 48.48 51.84 55.47 < 16 -13 10 33.79 -34.86 57.94 < 16 -13 11 127.74 266.27 161.70 < 16 -12 -11 99.40 -51.43 110.64 < 16 -12 -10 26.01 -45.18 53.39 < 16 -12 -9 61.88 19.43 52.39 < 16 -12 -8 38.46 -7.96 37.08 < 16 -12 -7 159.34 175.69 52.91 o 16 -12 -6 31.44 -24.27 37.67 < 16 -12 -5 141.91 245.02 52.99 o 16 -12 -4 41.67 -6.11 27.75 < 16 -12 -3 193.07 177.32 39.04 o 16 -12 -2 21.13 -39.11 33.38 < 16 -12 -1 155.06 59.87 32.49 < 16 -12 0 42.69 12.77 34.71 < 16 -12 1 154.47 169.18 41.37 o 16 -12 2 21.85 24.12 37.56 < 16 -12 3 196.82 206.43 53.76 o 16 -12 4 41.52 4.77 34.23 < 16 -12 5 141.61 239.15 55.73 o 16 -12 6 32.98 14.06 40.78 < 16 -12 7 157.83 120.70 57.94 < 16 -12 8 38.95 1.55 46.81 < 16 -12 9 61.29 115.00 59.20 < 16 -12 10 27.31 -43.81 61.94 < 16 -12 11 97.77 71.12 67.53 < 16 -11 -11 17.55 -104.82 91.21 < 16 -11 -10 5441.79 5450.75 280.86 o 16 -11 -9 19.12 -73.56 47.51 < 16 -11 -8 2240.17 2204.14 131.61 o 16 -11 -7 17.39 16.72 49.54 < 16 -11 -6 9801.97 10418.40 512.42 o 16 -11 -5 18.74 2.00 42.74 < 16 -11 -4 2992.88 3191.14 176.76 o 16 -11 -3 19.10 21.31 30.67 < 16 -11 -2 14063.00 12280.60 592.94 o 16 -11 -1 16.44 -1.15 34.45 < 16 -11 0 2646.66 2926.66 162.83 o 16 -11 1 17.13 -17.28 50.25 < 16 -11 2 14039.00 14488.00 703.99 o 16 -11 3 18.04 -2.07 32.93 < 16 -11 4 2963.71 3302.68 178.53 o 16 -11 5 19.00 -25.05 44.51 < 16 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-43.14 49.29 < 16 -9 -7 188.29 123.15 46.81 < 16 -9 -6 39.80 100.42 59.28 < 16 -9 -5 142.57 125.69 42.00 < 16 -9 -4 49.67 -3.37 29.19 < 16 -9 -3 248.54 219.51 55.95 o 16 -9 -2 27.86 -34.71 46.92 < 16 -9 -1 164.33 112.08 46.73 < 16 -9 0 44.61 22.94 35.74 < 16 -9 1 162.81 112.68 46.07 < 16 -9 2 27.81 9.36 44.14 < 16 -9 3 252.99 301.39 54.10 o 16 -9 4 49.62 6.03 31.86 < 16 -9 5 140.82 130.55 45.14 < 16 -9 6 39.71 -0.59 44.88 < 16 -9 7 187.92 164.07 54.54 o 16 -9 8 49.80 103.27 62.75 < 16 -9 9 64.38 5.99 56.32 < 16 -9 10 34.74 -37.85 44.59 < 16 -9 11 110.88 85.51 53.10 < 16 -8 -11 8.85 -223.90 110.45 < 16 -8 -10 4455.27 4525.96 242.84 o 16 -8 -9 8.42 -76.04 49.47 < 16 -8 -8 4390.05 4673.57 247.98 o 16 -8 -7 17.12 55.17 50.69 < 16 -8 -6 8566.60 8672.00 429.50 o 16 -8 -5 15.14 1.18 46.25 < 16 -8 -4 7669.12 7279.23 364.33 o 16 -8 -3 22.87 -5.14 33.34 < 16 -8 -2 12866.70 14218.10 690.97 o 16 -8 -1 24.89 -59.87 46.03 < 16 -8 0 8155.41 8006.69 402.70 o 16 -8 1 24.49 51.84 39.52 < 16 -8 2 12869.60 12674.70 618.06 o 16 -8 3 23.79 -5.55 33.97 < 16 -8 4 7755.21 7875.49 396.14 o 16 -8 5 15.25 -48.73 47.51 < 16 -8 6 8596.87 8483.10 419.90 o 16 -8 7 18.21 -18.20 38.15 < 16 -8 8 4428.78 4735.90 250.12 o 16 -8 9 8.66 -28.08 48.36 < 16 -8 10 4473.02 4603.88 241.56 o 16 -8 11 9.55 7.07 49.84 < 16 -7 -11 88.94 -19.24 146.30 < 16 -7 -10 48.91 97.87 59.39 < 16 -7 -9 84.14 114.45 42.14 < 16 -7 -8 42.05 -9.92 35.11 < 16 -7 -7 179.98 235.90 69.31 o 16 -7 -6 35.48 -0.22 34.37 < 16 -7 -5 185.46 184.49 51.03 o 16 -7 -4 30.83 28.53 33.86 < 16 -7 -3 269.09 270.50 55.32 o 16 -7 -2 15.19 12.40 32.56 < 16 -7 -1 239.10 313.48 71.19 o 16 -7 0 22.01 0.37 41.11 < 16 -7 1 239.73 192.90 48.36 o 16 -7 2 14.46 -23.01 29.27 < 16 -7 3 272.12 260.79 52.32 o 16 -7 4 30.66 2.78 30.23 < 16 -7 5 186.37 164.44 49.73 o 16 -7 6 33.25 -14.25 40.66 < 16 -7 7 182.21 175.09 54.91 o 16 -7 8 41.73 -63.94 45.33 < 16 -7 9 84.64 56.76 56.80 < 16 -7 10 46.01 -94.43 74.08 < 16 -7 11 91.02 93.06 60.53 < 16 -6 -11 91.42 -60.83 90.69 < 16 -6 -10 56.04 23.16 45.62 < 16 -6 -9 78.18 113.41 42.70 < 16 -6 -8 57.78 -16.72 49.21 < 16 -6 -7 175.49 64.98 44.48 < 16 -6 -6 55.88 -49.14 38.04 < 16 -6 -5 156.81 220.64 53.69 o 16 -6 -4 54.32 1.18 46.33 < 16 -6 -3 250.67 346.65 60.46 o 16 -6 -2 40.72 -41.11 41.00 < 16 -6 -1 169.05 127.99 56.32 < 16 -6 0 45.95 -24.38 32.78 < 16 -6 1 168.92 138.39 54.21 < 16 -6 2 40.10 15.36 32.78 < 16 -6 3 254.54 234.23 51.95 o 16 -6 4 53.79 6.70 38.78 < 16 -6 5 158.27 90.36 40.56 < 16 -6 6 54.31 20.20 33.67 < 16 -6 7 176.39 176.13 55.58 o 16 -6 8 57.59 -24.90 51.10 < 16 -6 9 77.97 13.54 57.24 < 16 -6 10 53.91 16.76 58.54 < 16 -6 11 94.21 14.76 59.50 < 16 -5 -10 5267.82 4375.45 343.30 o 16 -5 -9 19.19 -7.47 40.26 < 16 -5 -8 3605.21 3532.91 191.18 o 16 -5 -7 19.59 -39.22 36.26 < 16 -5 -6 9759.65 9224.58 454.47 o 16 -5 -5 25.06 34.45 41.33 < 16 -5 -4 5233.46 5923.18 305.21 o 16 -5 -3 21.59 24.16 35.19 < 16 -5 -2 14006.90 14661.80 711.60 o 16 -5 -1 25.00 -5.85 32.19 < 16 -5 0 4975.23 5499.03 283.78 o 16 -5 1 24.09 -39.00 38.33 < 16 -5 2 13980.00 15353.70 746.25 o 16 -5 3 22.15 -42.29 49.47 < 16 -5 4 5211.01 5939.49 306.90 o 16 -5 5 23.96 86.99 64.64 < 16 -5 6 9739.85 9360.24 461.70 o 16 -5 7 19.87 53.47 41.26 < 16 -5 8 3533.37 3585.99 202.25 o 16 -5 9 18.19 -10.66 57.06 < 16 -5 10 5261.58 5169.63 273.89 o 16 -5 11 15.37 -45.73 75.52 < 16 -4 -10 41.18 21.13 82.22 < 16 -4 -9 59.24 60.87 42.85 < 16 -4 -8 38.01 -39.00 46.81 < 16 -4 -7 198.92 191.68 42.81 o 16 -4 -6 41.19 -8.66 37.89 < 16 -4 -5 125.90 50.28 50.73 < 16 -4 -4 33.16 29.97 35.78 < 16 -4 -3 217.25 226.50 64.72 o 16 -4 -2 40.25 112.60 59.76 < 16 -4 -1 171.59 180.31 49.10 o 16 -4 0 27.96 19.02 34.19 < 16 -4 1 171.79 178.10 52.14 o 16 -4 2 40.10 18.57 40.26 < 16 -4 3 216.91 235.34 61.42 o 16 -4 4 33.48 17.76 39.41 < 16 -4 5 122.65 10.14 52.17 < 16 -4 6 40.71 -12.32 39.52 < 16 -4 7 198.63 148.71 56.32 < 16 -4 8 37.67 41.48 55.10 < 16 -4 9 56.63 4.63 70.45 < 16 -4 10 40.09 75.78 64.49 < 16 -4 11 133.96 84.36 79.66 < 16 -3 -9 57.92 68.05 42.85 < 16 -3 -8 42.64 9.29 69.38 < 16 -3 -7 196.06 165.88 46.88 o 16 -3 -6 42.24 9.18 40.15 < 16 -3 -5 140.05 82.81 42.92 < 16 -3 -4 43.75 56.76 47.40 < 16 -3 -3 258.42 255.66 58.98 o 16 -3 -2 32.33 6.48 42.29 < 16 -3 -1 168.89 243.96 57.35 o 16 -3 0 39.29 14.28 44.66 < 16 -3 1 170.41 242.11 58.21 o 16 -3 2 32.27 -2.70 37.48 < 16 -3 3 258.19 255.88 59.46 o 16 -3 4 44.09 -29.68 36.89 < 16 -3 5 142.52 48.14 53.17 < 16 -3 6 42.18 4.66 48.88 < 16 -3 7 192.00 116.52 65.83 < 16 -3 8 43.87 65.35 75.37 < 16 -3 9 57.78 43.81 77.33 < 16 -3 10 35.45 18.98 64.12 < 16 -3 11 119.34 90.47 128.29 < 16 -2 -9 26.22 -20.17 78.89 < 16 -2 -8 3028.96 2546.24 148.92 o 16 -2 -7 37.03 -0.70 47.55 < 16 -2 -6 8853.59 9043.82 448.51 o 16 -2 -5 32.09 -66.05 47.77 < 16 -2 -4 4720.41 4941.14 259.60 o 16 -2 -3 39.25 8.92 43.29 < 16 -2 -2 12169.80 13004.70 634.34 o 16 -2 -1 37.43 -8.88 42.81 < 16 -2 0 4682.76 5296.00 280.60 o 16 -2 1 38.74 -32.86 39.74 < 16 -2 2 12133.70 12523.50 612.94 o 16 -2 3 37.61 17.46 38.19 < 16 -2 4 4724.15 5063.57 267.74 o 16 -2 5 32.93 -64.60 46.92 < 16 -2 6 8804.90 9512.66 475.36 o 16 -2 7 35.40 -3.33 54.13 < 16 -2 8 2997.34 2989.30 177.60 o 16 -2 9 26.84 59.76 61.94 < 16 -2 10 5077.21 4934.59 263.43 o 16 -1 -8 47.45 -36.41 47.10 < 16 -1 -7 88.26 32.67 54.80 < 16 -1 -6 51.97 -3.81 53.65 < 16 -1 -5 127.75 128.32 50.80 < 16 -1 -4 38.95 -7.99 46.70 < 16 -1 -3 126.89 143.42 51.99 < 16 -1 -2 42.67 -35.56 52.17 < 16 -1 -1 161.37 91.88 40.59 < 16 -1 0 28.24 75.78 64.64 < 16 -1 1 159.77 126.66 43.22 < 16 -1 2 41.95 -11.47 38.85 < 16 -1 3 131.03 98.24 57.76 < 16 -1 4 39.31 1.52 40.96 < 16 -1 5 127.36 68.31 72.08 < 16 -1 6 50.99 42.96 56.83 < 16 -1 7 90.12 46.95 65.64 < 16 -1 8 47.76 -23.98 60.20 < 16 -1 9 63.09 30.79 73.74 < 16 -1 10 53.87 101.42 73.56 < 16 0 -8 44.75 -2.52 45.18 < 16 0 -7 111.18 142.05 54.65 < 16 0 -6 48.31 25.60 56.72 < 16 0 -5 126.08 81.63 48.36 < 16 0 -4 40.62 24.05 45.73 < 16 0 -3 178.10 173.10 59.57 < 16 0 -2 30.89 53.28 46.07 < 16 0 -1 141.39 97.61 53.80 < 16 0 0 35.83 -35.48 42.77 < 16 0 1 138.50 110.08 51.69 < 16 0 2 30.56 30.16 56.87 < 16 0 3 183.64 163.59 55.61 < 16 0 4 40.07 55.13 70.01 < 16 0 5 127.13 271.26 78.41 o 16 0 6 47.35 -28.71 71.15 < 16 0 7 113.00 125.81 61.65 < 16 0 8 44.50 -75.11 85.07 < 16 0 9 62.85 7.99 88.55 < 16 0 10 50.37 120.33 96.94 < 16 1 -8 1649.13 1487.56 144.58 o 16 1 -7 11.93 -9.69 60.20 < 16 1 -6 6134.75 6074.47 314.71 o 16 1 -5 17.33 -36.00 49.62 < 16 1 -4 2569.81 2830.92 175.44 o 16 1 -3 20.22 -91.62 57.35 < 16 1 -2 8761.18 8772.50 440.52 o 16 1 -1 21.78 18.06 41.15 < 16 1 0 2657.47 2473.35 150.82 o 16 1 1 21.80 84.29 56.54 < 16 1 2 8774.59 9194.76 645.72 o 16 1 3 20.84 -10.47 65.64 < 16 1 4 2605.01 2969.86 260.36 o 16 1 5 17.85 -173.39 98.31 < 16 1 6 6172.02 6784.89 495.41 o 16 1 7 12.66 10.66 79.26 < 16 1 8 1660.81 1521.49 169.24 o 16 1 9 12.74 18.17 85.62 < 16 2 -8 38.35 8.55 44.03 < 16 2 -7 124.96 130.17 84.81 < 16 2 -6 40.73 -38.33 53.28 < 16 2 -5 82.38 4.74 48.40 < 16 2 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230.34 o 16 4 1 9.08 -55.54 93.61 < 16 4 2 5106.15 4991.07 379.90 o 16 4 3 5.97 -40.18 93.43 < 16 4 4 2755.43 2230.41 209.37 o 16 4 5 14.67 12.32 102.57 < 16 4 6 3783.89 3072.02 277.05 o 16 5 -5 94.72 176.05 115.04 < 16 5 -4 45.85 -35.41 84.70 < 16 5 -3 114.88 16.10 95.73 < 16 5 -2 36.18 94.76 100.46 < 16 5 -1 117.39 -29.60 98.87 < 16 5 0 42.92 56.54 100.90 < 16 5 1 117.01 -38.26 114.71 < 16 5 2 35.69 -79.92 82.18 < 16 5 3 115.04 298.60 136.54 < 16 5 4 45.65 -13.91 116.26 < 16 6 -1 68.62 204.47 119.37 < 16 6 0 36.38 65.94 112.85 < 16 6 1 68.01 23.53 116.07 < 17 -22 -2 4569.85 4939.12 369.18 o 17 -22 -1 11.34 103.35 82.59 < 17 -22 0 1838.86 1755.18 164.48 o 17 -22 1 11.67 -86.51 66.23 < 17 -22 2 4585.59 4525.36 335.93 o 17 -21 -4 30.65 156.22 115.44 < 17 -21 -3 82.58 19.54 49.47 < 17 -21 -2 27.47 -68.67 51.84 < 17 -21 -1 91.14 124.32 50.73 < 17 -21 0 31.43 -61.20 47.55 < 17 -21 1 91.66 134.13 51.91 < 17 -21 2 27.64 -18.98 44.29 < 17 -21 3 80.88 10.18 51.65 < 17 -21 4 30.75 97.31 116.41 < 17 -20 -6 31.38 -21.72 85.40 < 17 -20 -5 90.33 96.76 53.06 < 17 -20 -4 34.16 33.19 64.38 < 17 -20 -3 83.74 30.71 47.92 < 17 -20 -2 26.85 50.84 62.09 < 17 -20 -1 105.26 142.01 54.17 < 17 -20 0 29.06 -11.91 50.10 < 17 -20 1 104.40 62.72 40.85 < 17 -20 2 27.11 17.17 44.77 < 17 -20 3 82.26 66.60 48.77 < 17 -20 4 34.48 40.78 59.79 < 17 -20 5 91.21 89.10 52.36 < 17 -20 6 32.01 65.86 72.26 < 17 -19 -7 11.40 100.35 93.21 < 17 -19 -6 3211.70 2618.41 155.76 o 17 -19 -5 11.82 -56.61 47.81 < 17 -19 -4 2830.61 2742.26 154.72 o 17 -19 -3 7.85 -36.96 40.00 < 17 -19 -2 4250.20 4291.75 225.51 o 17 -19 -1 7.69 -27.53 60.61 < 17 -19 0 2924.40 2911.15 163.22 o 17 -19 1 7.10 25.38 46.66 < 17 -19 2 4233.51 4354.64 227.77 o 17 -19 3 7.85 -13.62 43.81 < 17 -19 4 2851.24 3021.36 164.75 o 17 -19 5 10.70 -36.56 41.15 < 17 -19 6 3183.05 2806.13 160.31 o 17 -19 7 11.04 37.59 71.04 < 17 -18 -8 46.91 -62.64 88.80 < 17 -18 -7 64.12 23.05 69.23 < 17 -18 -6 49.12 2.29 42.22 < 17 -18 -5 100.26 64.79 53.98 < 17 -18 -4 44.66 -3.96 42.88 < 17 -18 -3 95.62 32.97 48.55 < 17 -18 -2 43.62 56.39 37.41 < 17 -18 -1 132.18 154.66 51.58 < 17 -18 0 45.45 -36.67 35.30 < 17 -18 1 132.54 119.19 47.10 < 17 -18 2 44.12 25.35 39.04 < 17 -18 3 94.00 142.64 60.72 < 17 -18 4 45.33 -4.14 38.70 < 17 -18 5 99.63 88.69 41.33 < 17 -18 6 49.96 -45.22 51.91 < 17 -18 7 63.98 -26.16 41.96 < 17 -18 8 48.34 326.68 125.18 < 17 -17 -8 41.65 25.68 61.90 < 17 -17 -7 32.77 22.61 59.39 < 17 -17 -6 51.55 3.77 38.78 < 17 -17 -5 131.73 118.15 40.67 < 17 -17 -4 34.72 17.72 41.40 < 17 -17 -3 98.49 54.36 36.59 < 17 -17 -2 48.79 51.47 41.15 < 17 -17 -1 145.21 171.32 48.55 o 17 -17 0 28.52 9.03 34.00 < 17 -17 1 142.38 112.71 43.00 < 17 -17 2 48.89 0.81 41.66 < 17 -17 3 97.00 14.87 35.52 < 17 -17 4 34.68 48.10 47.95 < 17 -17 5 131.27 176.35 55.06 o 17 -17 6 51.87 -23.09 50.65 < 17 -17 7 32.29 82.81 44.36 < 17 -17 8 41.76 -11.99 45.03 < 17 -16 -9 12.03 160.92 94.87 < 17 -16 -8 1645.60 1748.75 120.82 o 17 -16 -7 11.94 -16.21 56.32 < 17 -16 -6 6136.84 6778.08 343.64 o 17 -16 -5 17.35 89.40 55.91 < 17 -16 -4 2566.89 2478.18 143.47 o 17 -16 -3 20.22 -25.98 50.58 < 17 -16 -2 8762.11 8688.03 428.60 o 17 -16 -1 21.79 -50.62 39.04 < 17 -16 0 2657.58 2519.84 142.67 o 17 -16 1 21.79 12.88 32.41 < 17 -16 2 8773.52 8531.79 419.23 o 17 -16 3 20.84 -31.41 39.04 < 17 -16 4 2608.07 2542.39 146.90 o 17 -16 5 17.83 1.37 50.32 < 17 -16 6 6169.76 5837.79 295.69 o 17 -16 7 12.65 -29.08 37.52 < 17 -16 8 1664.46 1524.41 99.99 o 17 -16 9 12.72 31.67 112.63 < 17 -15 -9 96.94 268.15 92.54 < 17 -15 -8 51.40 -60.68 60.42 < 17 -15 -7 115.22 68.60 52.47 < 17 -15 -6 57.19 62.94 53.28 < 17 -15 -5 142.38 65.75 47.44 < 17 -15 -4 35.59 -33.89 44.29 < 17 -15 -3 160.90 138.28 47.51 < 17 -15 -2 47.93 -21.61 36.19 < 17 -15 -1 200.26 141.71 47.21 o 17 -15 0 31.77 40.63 31.82 < 17 -15 1 196.44 243.60 47.88 o 17 -15 2 48.19 -12.43 31.97 < 17 -15 3 162.38 99.57 46.92 < 17 -15 4 34.02 -51.43 49.43 < 17 -15 5 139.72 104.72 48.88 < 17 -15 6 57.11 32.86 50.77 < 17 -15 7 119.01 130.47 54.21 < 17 -15 8 48.98 -6.18 58.83 < 17 -15 9 95.67 45.51 62.72 < 17 -14 -10 52.25 36.78 66.16 < 17 -14 -9 125.25 95.87 63.83 < 17 -14 -8 49.68 49.92 58.87 < 17 -14 -7 56.62 81.55 55.61 < 17 -14 -6 52.20 31.60 48.88 < 17 -14 -5 154.27 217.28 54.54 o 17 -14 -4 42.92 -31.16 32.34 < 17 -14 -3 145.12 -2.18 37.08 < 17 -14 -2 46.38 17.91 35.78 < 17 -14 -1 190.28 93.17 49.58 < 17 -14 0 38.86 7.51 29.08 < 17 -14 1 189.95 180.13 46.48 o 17 -14 2 46.69 -15.80 35.67 < 17 -14 3 141.77 139.68 50.21 < 17 -14 4 42.26 -17.76 49.36 < 17 -14 5 157.54 146.64 55.84 < 17 -14 6 52.67 59.65 46.55 < 17 -14 7 55.97 61.13 61.57 < 17 -14 8 48.51 11.40 49.25 < 17 -14 9 128.00 71.86 51.80 < 17 -14 10 52.84 28.12 92.58 < 17 -13 -10 4519.90 4242.03 241.94 o 17 -13 -9 18.76 36.08 63.09 < 17 -13 -8 2479.34 2552.46 152.58 o 17 -13 -7 24.81 4.37 51.06 < 17 -13 -6 7771.73 8142.63 407.27 o 17 -13 -5 24.58 -23.20 48.14 < 17 -13 -4 3784.96 3465.12 185.34 o 17 -13 -3 29.77 4.11 35.41 < 17 -13 -2 10649.50 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o 17 -1 9 10.21 110.86 105.45 < 17 0 -8 41.83 -68.19 59.72 < 17 0 -7 32.76 26.09 82.85 < 17 0 -6 51.76 15.10 50.84 < 17 0 -5 131.76 36.71 61.94 < 17 0 -4 34.85 51.47 55.24 < 17 0 -3 98.47 81.00 59.24 < 17 0 -2 48.89 17.21 45.03 < 17 0 -1 145.20 180.57 62.39 < 17 0 0 28.53 -23.72 51.54 < 17 0 1 142.39 86.55 49.55 < 17 0 2 48.78 89.32 61.24 < 17 0 3 97.02 46.07 62.61 < 17 0 4 34.55 63.05 60.79 < 17 0 5 131.24 217.02 74.52 < 17 0 6 51.65 55.69 63.42 < 17 0 7 32.29 81.18 71.56 < 17 0 8 41.58 17.21 62.09 < 17 1 -8 45.55 -173.94 119.07 < 17 1 -7 65.18 79.59 84.33 < 17 1 -6 44.30 22.09 59.05 < 17 1 -5 101.53 55.21 54.72 < 17 1 -4 45.42 6.81 51.65 < 17 1 -3 103.12 91.10 50.10 < 17 1 -2 41.97 -6.77 53.65 < 17 1 -1 137.15 118.81 48.95 < 17 1 0 37.05 3.63 46.18 < 17 1 1 137.21 82.26 54.84 < 17 1 2 41.99 36.30 49.18 < 17 1 3 104.48 36.19 72.93 < 17 1 4 46.02 16.28 60.24 < 17 1 5 100.43 -23.35 61.72 < 17 1 6 45.32 38.56 76.41 < 17 1 7 67.32 18.61 64.79 < 17 1 8 46.37 64.61 135.98 < 17 2 -7 8.24 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3351.67 302.10 o 18 -21 -3 15.39 -3.40 70.27 < 18 -21 -2 306.05 207.77 77.60 < 18 -21 -1 14.82 70.34 65.57 < 18 -21 0 5408.66 5100.12 268.37 o 18 -21 1 15.10 -23.79 52.17 < 18 -21 2 308.62 317.30 73.78 o 18 -21 3 15.43 4.77 67.93 < 18 -20 -5 99.13 111.08 99.79 < 18 -20 -4 27.86 37.22 55.39 < 18 -20 -3 87.18 136.46 68.30 < 18 -20 -2 31.81 -30.53 62.98 < 18 -20 -1 112.57 92.84 67.94 < 18 -20 0 23.39 67.60 53.62 < 18 -20 1 113.44 87.77 53.84 < 18 -20 2 31.86 33.08 60.31 < 18 -20 3 86.89 100.57 50.32 < 18 -20 4 28.17 14.80 56.65 < 18 -20 5 99.24 23.20 115.22 < 18 -19 -6 29.48 -41.37 122.03 < 18 -19 -5 95.37 84.88 53.99 < 18 -19 -4 38.96 44.62 44.44 < 18 -19 -3 127.44 40.92 47.69 < 18 -19 -2 28.96 9.21 46.21 < 18 -19 -1 116.68 92.36 47.73 < 18 -19 0 36.53 32.45 52.76 < 18 -19 1 117.67 91.39 47.47 < 18 -19 2 28.67 -33.60 55.39 < 18 -19 3 126.45 65.38 46.03 < 18 -19 4 39.61 10.88 45.14 < 18 -19 5 94.07 112.67 54.24 < 18 -19 6 28.58 -111.26 92.54 < 18 -18 -7 15.09 87.69 79.55 < 18 -18 -6 648.24 579.60 80.26 o 18 -18 -5 13.58 34.67 49.77 < 18 -18 -4 6693.75 6511.91 328.77 o 18 -18 -3 16.17 -16.13 39.33 < 18 -18 -2 496.19 475.80 71.23 o 18 -18 -1 14.41 14.69 44.22 < 18 -18 0 8185.33 7892.13 394.54 o 18 -18 1 13.77 -64.97 40.59 < 18 -18 2 496.00 507.59 69.86 o 18 -18 3 16.58 45.03 48.36 < 18 -18 4 6666.33 6408.03 323.32 o 18 -18 5 12.76 29.42 51.80 < 18 -18 6 632.38 438.96 60.47 o 18 -18 7 15.35 -123.62 95.54 < 18 -17 -8 45.35 -36.52 102.24 < 18 -17 -7 65.44 142.34 81.40 < 18 -17 -6 44.12 20.72 70.27 < 18 -17 -5 101.17 75.93 41.92 < 18 -17 -4 45.24 21.65 45.70 < 18 -17 -3 103.51 67.56 48.99 < 18 -17 -2 41.88 18.28 42.37 < 18 -17 -1 136.59 102.31 39.00 < 18 -17 0 37.05 -3.66 44.40 < 18 -17 1 137.79 74.85 36.78 < 18 -17 2 42.08 35.78 43.96 < 18 -17 3 104.10 102.68 44.55 < 18 -17 4 46.20 15.54 39.96 < 18 -17 5 100.80 58.35 43.59 < 18 -17 6 45.51 -23.05 43.92 < 18 -17 7 67.04 87.51 53.99 < 18 -17 8 46.57 40.26 82.03 < 18 -16 -8 38.21 -44.77 80.22 < 18 -16 -7 125.23 113.89 72.15 < 18 -16 -6 40.56 -7.84 65.01 < 18 -16 -5 82.09 55.80 40.78 < 18 -16 -4 35.22 60.76 44.48 < 18 -16 -3 145.54 128.54 46.47 < 18 -16 -2 39.05 -26.20 35.11 < 18 -16 -1 142.21 111.75 43.70 < 18 -16 0 27.91 4.92 35.15 < 18 -16 1 146.64 96.76 37.70 < 18 -16 2 38.96 15.95 35.15 < 18 -16 3 142.95 167.99 50.25 o 18 -16 4 37.16 18.54 36.67 < 18 -16 5 83.25 72.08 48.77 < 18 -16 6 40.99 -80.44 46.73 < 18 -16 7 124.57 110.23 49.77 < 18 -16 8 40.73 16.02 80.63 < 18 -15 -9 6.30 30.34 74.67 < 18 -15 -8 5605.11 5380.50 284.00 o 18 -15 -7 5.36 4.14 74.08 < 18 -15 -6 911.44 1044.66 93.44 o 18 -15 -5 4.74 -24.24 43.51 < 18 -15 -4 8625.07 7974.73 395.39 o 18 -15 -3 3.01 46.33 52.21 < 18 -15 -2 717.41 785.85 70.79 o 18 -15 -1 3.73 12.80 33.49 < 18 -15 0 10889.00 10218.80 499.65 o 18 -15 1 3.60 3.11 38.00 < 18 -15 2 720.16 626.59 63.69 o 18 -15 3 3.10 -34.34 50.03 < 18 -15 4 8599.20 10172.30 505.40 o 18 -15 5 4.71 -31.67 58.20 < 18 -15 6 892.56 903.01 97.51 o 18 -15 7 5.32 34.12 53.17 < 18 -15 8 5625.42 5611.60 293.95 o 18 -15 9 6.08 -27.71 88.40 < 18 -14 -9 93.01 96.76 71.23 < 18 -14 -8 49.93 4.48 52.17 < 18 -14 -7 64.64 -50.28 45.55 < 18 -14 -6 60.09 -48.55 42.89 < 18 -14 -5 136.15 184.20 65.31 < 18 -14 -4 41.99 62.61 54.84 < 18 -14 -3 94.07 40.22 35.00 < 18 -14 -2 53.07 -15.21 48.44 < 18 -14 -1 141.10 71.86 55.36 < 18 -14 0 28.80 8.84 38.07 < 18 -14 1 142.81 73.97 41.55 < 18 -14 2 52.30 -2.22 52.51 < 18 -14 3 93.39 79.56 55.87 < 18 -14 4 41.62 17.43 39.30 < 18 -14 5 135.76 127.69 53.36 < 18 -14 6 59.64 -66.82 45.36 < 18 -14 7 63.16 9.32 58.83 < 18 -14 8 49.33 -107.23 56.32 < 18 -14 9 94.20 88.17 66.68 < 18 -13 -9 71.92 64.53 61.24 < 18 -13 -8 51.46 27.16 47.73 < 18 -13 -7 75.64 49.14 58.72 < 18 -13 -6 51.51 -19.54 53.95 < 18 -13 -5 130.82 189.23 54.17 o 18 -13 -4 42.98 -20.46 44.92 < 18 -13 -3 110.09 14.84 45.47 < 18 -13 -2 43.82 -37.67 36.74 < 18 -13 -1 165.16 74.64 38.59 < 18 -13 0 33.81 35.78 44.62 < 18 -13 1 166.90 175.02 54.69 o 18 -13 2 43.36 0.30 43.14 < 18 -13 3 111.11 90.51 42.11 < 18 -13 4 43.00 -41.66 37.85 < 18 -13 5 132.66 78.48 60.31 < 18 -13 6 51.01 18.87 58.91 < 18 -13 7 76.21 43.44 51.28 < 18 -13 8 51.07 -14.76 52.36 < 18 -13 9 75.48 23.42 70.60 < 18 -12 -10 804.34 736.74 113.16 o 18 -12 -9 17.94 -31.56 65.20 < 18 -12 -8 7202.65 6860.72 348.22 o 18 -12 -7 11.10 -1.04 42.81 < 18 -12 -6 1387.47 1429.03 102.48 o 18 -12 -5 13.84 -1.22 57.28 < 18 -12 -4 12194.10 12604.00 618.26 o 18 -12 -3 7.57 -19.68 38.07 < 18 -12 -2 1602.31 1435.41 94.24 o 18 -12 -1 4.89 -27.60 31.12 < 18 -12 0 16073.70 16597.00 815.86 o 18 -12 1 5.21 25.90 38.30 < 18 -12 2 1635.14 1707.01 119.25 o 18 -12 3 7.46 34.26 37.41 < 18 -12 4 12276.70 12783.70 623.73 o 18 -12 5 14.62 -2.44 42.14 < 18 -12 6 1421.91 1431.54 120.43 o 18 -12 7 11.34 -11.80 57.09 < 18 -12 8 7359.98 7807.52 401.99 o 18 -12 9 19.09 -46.70 57.54 < 18 -12 10 818.86 810.39 137.74 o 18 -11 -10 29.64 -6.48 72.78 < 18 -11 -9 124.56 3.40 62.42 < 18 -11 -8 30.13 89.36 54.65 < 18 -11 -7 114.96 107.90 56.91 < 18 -11 -6 29.47 26.72 41.03 < 18 -11 -5 194.91 251.81 57.80 o 18 -11 -4 29.88 -59.46 54.80 < 18 -11 -3 155.93 185.38 54.61 o 18 -11 -2 31.77 31.30 47.81 < 18 -11 -1 210.84 139.28 52.40 < 18 -11 0 25.25 -14.99 34.71 < 18 -11 1 212.38 291.13 65.12 o 18 -11 2 31.74 -10.73 43.33 < 18 -11 3 156.56 133.25 66.01 < 18 -11 4 29.93 25.20 50.36 < 18 -11 5 193.78 304.08 60.39 o 18 -11 6 29.91 5.48 56.83 < 18 -11 7 114.67 42.18 70.19 < 18 -11 8 29.46 12.21 63.05 < 18 -11 9 125.19 0.30 66.45 < 18 -11 10 29.37 -13.51 113.82 < 18 -10 -10 38.97 -70.67 73.30 < 18 -10 -9 72.37 103.27 53.58 < 18 -10 -8 43.78 -218.27 70.93 < 18 -10 -7 145.60 133.02 54.76 < 18 -10 -6 40.94 40.15 44.36 < 18 -10 -5 114.23 165.59 45.81 o 18 -10 -4 39.40 8.25 46.29 < 18 -10 -3 139.37 87.95 42.77 < 18 -10 -2 42.14 -24.31 52.69 < 18 -10 -1 152.98 123.04 72.19 < 18 -10 0 36.35 -29.90 35.48 < 18 -10 1 152.93 253.90 58.57 o 18 -10 2 41.89 23.75 50.80 < 18 -10 3 138.62 72.97 52.69 < 18 -10 4 39.09 21.31 41.07 < 18 -10 5 110.29 99.13 50.62 < 18 -10 6 40.13 -5.11 57.32 < 18 -10 7 146.44 107.23 60.13 < 18 -10 8 42.45 40.81 53.13 < 18 -10 9 70.23 48.69 56.80 < 18 -10 10 37.65 75.74 111.23 < 18 -9 -10 889.56 741.29 97.26 o 18 -9 -9 13.69 46.70 63.86 < 18 -9 -8 6781.32 6346.30 324.68 o 18 -9 -7 13.31 -82.33 75.82 < 18 -9 -6 1148.46 1018.79 91.87 o 18 -9 -5 5.73 -31.49 44.88 < 18 -9 -4 10280.70 9576.03 478.71 o 18 -9 -3 4.15 -22.27 56.72 < 18 -9 -2 949.12 1038.97 96.64 o 18 -9 -1 1.00 60.39 62.94 < 18 -9 0 13053.70 15140.50 735.25 o 18 -9 1 0.87 44.07 51.99 < 18 -9 2 953.78 887.60 99.44 o 18 -9 3 4.22 -11.77 48.03 < 18 -9 4 10160.00 10027.40 495.12 o 18 -9 5 5.45 33.71 47.25 < 18 -9 6 1126.48 1231.78 100.54 o 18 -9 7 13.24 18.72 46.77 < 18 -9 8 6704.25 6885.51 353.80 o 18 -9 9 13.02 -7.88 51.84 < 18 -9 10 867.09 697.10 128.92 o 18 -8 -10 31.56 -18.43 74.93 < 18 -8 -9 64.60 90.06 54.10 < 18 -8 -8 45.69 45.36 48.73 < 18 -8 -7 137.18 100.64 56.58 < 18 -8 -6 31.67 -43.59 37.56 < 18 -8 -5 115.51 90.10 52.40 < 18 -8 -4 45.58 -37.04 56.13 < 18 -8 -3 141.44 157.70 59.05 < 18 -8 -2 30.37 -79.00 63.83 < 18 -8 -1 139.04 77.52 65.90 < 18 -8 0 40.63 -23.75 52.88 < 18 -8 1 141.29 156.77 51.65 o 18 -8 2 30.58 32.19 47.55 < 18 -8 3 141.36 109.57 43.55 < 18 -8 4 45.53 31.53 37.67 < 18 -8 5 113.30 67.75 63.42 < 18 -8 6 32.47 5.22 38.63 < 18 -8 7 136.51 205.99 60.80 o 18 -8 8 45.92 -1.22 53.10 < 18 -8 9 62.45 127.03 60.09 < 18 -8 10 32.11 37.11 131.80 < 18 -7 -10 34.63 -0.37 70.41 < 18 -7 -9 52.34 -24.72 58.61 < 18 -7 -8 50.57 -44.22 51.58 < 18 -7 -7 117.28 21.76 53.17 < 18 -7 -6 34.49 -106.82 57.69 < 18 -7 -5 107.85 123.22 53.39 < 18 -7 -4 44.59 -32.12 40.78 < 18 -7 -3 143.24 377.64 77.22 o 18 -7 -2 29.32 -45.07 50.32 < 18 -7 -1 166.48 184.24 53.29 o 18 -7 0 42.57 -20.72 49.03 < 18 -7 1 167.29 236.66 62.46 o 18 -7 2 29.76 -29.56 47.47 < 18 -7 3 142.22 239.41 63.90 o 18 -7 4 45.09 6.14 42.29 < 18 -7 5 106.01 83.92 48.18 < 18 -7 6 35.34 23.42 39.63 < 18 -7 7 117.64 185.57 65.27 < 18 -7 8 51.22 -31.90 55.21 < 18 -7 9 50.93 42.63 72.26 < 18 -7 10 35.94 103.20 90.32 < 18 -6 -10 948.40 691.37 84.18 o 18 -6 -9 12.49 90.91 84.77 < 18 -6 -8 5933.58 5346.02 283.11 o 18 -6 -7 11.97 46.21 52.99 < 18 -6 -6 1277.66 1199.64 92.84 o 18 -6 -5 7.58 -94.83 48.32 < 18 -6 -4 9010.42 9904.37 495.48 o 18 -6 -3 3.76 -27.68 54.43 < 18 -6 -2 1159.74 1417.70 124.86 o 18 -6 -1 1.77 33.38 49.14 < 18 -6 0 11469.90 12401.60 610.45 o 18 -6 1 1.96 -37.52 59.68 < 18 -6 2 1166.79 1311.46 101.56 o 18 -6 3 3.53 -18.35 44.62 < 18 -6 4 8917.55 10288.20 514.34 o 18 -6 5 7.64 134.61 87.66 < 18 -6 6 1260.97 1488.02 119.26 o 18 -6 7 11.58 40.55 55.35 < 18 -6 8 5880.01 5747.07 297.20 o 18 -6 9 12.15 15.87 52.02 < 18 -6 10 929.51 1094.16 157.48 o 18 -5 -9 42.58 153.67 89.47 < 18 -5 -8 46.98 -40.66 50.21 < 18 -5 -7 123.40 144.45 57.20 < 18 -5 -6 39.55 -5.18 68.45 < 18 -5 -5 107.22 11.17 58.65 < 18 -5 -4 35.19 38.56 43.92 < 18 -5 -3 151.93 173.24 60.87 < 18 -5 -2 22.87 48.58 56.91 < 18 -5 -1 151.91 169.77 54.40 o 18 -5 0 28.98 -40.04 49.80 < 18 -5 1 156.92 122.51 70.23 < 18 -5 2 22.64 0.30 46.70 < 18 -5 3 152.14 223.65 73.71 o 18 -5 4 33.89 0.56 60.76 < 18 -5 5 110.51 91.91 50.10 < 18 -5 6 38.89 2.33 66.42 < 18 -5 7 123.69 273.93 71.16 o 18 -5 8 45.51 -45.66 60.05 < 18 -5 9 44.82 52.39 62.46 < 18 -4 -9 84.79 42.70 80.96 < 18 -4 -8 48.37 -15.10 50.77 < 18 -4 -7 118.47 99.02 60.09 < 18 -4 -6 49.60 -7.66 45.88 < 18 -4 -5 144.56 196.56 62.94 o 18 -4 -4 36.36 -11.40 44.59 < 18 -4 -3 161.76 94.65 53.65 < 18 -4 -2 41.64 23.64 44.81 < 18 -4 -1 208.35 256.81 65.05 o 18 -4 0 34.56 45.40 65.16 < 18 -4 1 210.97 246.06 77.18 o 18 -4 2 41.58 -15.10 43.48 < 18 -4 3 160.08 201.48 67.09 o 18 -4 4 35.80 -16.87 53.02 < 18 -4 5 146.66 103.42 58.65 < 18 -4 6 48.77 49.92 59.31 < 18 -4 7 119.71 77.08 64.57 < 18 -4 8 47.27 -55.54 59.68 < 18 -4 9 87.48 70.60 71.75 < 18 -3 -9 14.99 -35.82 66.71 < 18 -3 -8 6660.57 4920.11 262.12 o 18 -3 -7 6.76 -77.44 62.61 < 18 -3 -6 874.97 821.25 89.22 o 18 -3 -5 9.92 54.69 56.43 < 18 -3 -4 10783.80 11095.90 548.45 o 18 -3 -3 2.02 -6.48 53.32 < 18 -3 -2 815.96 796.09 83.93 o 18 -3 -1 1.78 -43.03 52.50 < 18 -3 0 13808.90 14130.10 690.59 o 18 -3 1 1.83 10.80 46.84 < 18 -3 2 827.01 826.70 95.89 o 18 -3 3 1.87 33.41 60.87 < 18 -3 4 10838.20 11354.70 562.29 o 18 -3 5 10.07 -75.70 57.50 < 18 -3 6 871.09 1022.87 98.25 o 18 -3 7 6.73 -45.96 62.09 < 18 -3 8 6778.84 6355.20 334.02 o 18 -3 9 15.39 45.92 106.64 < 18 -2 -8 44.50 85.66 87.10 < 18 -2 -7 79.59 73.19 59.35 < 18 -2 -6 44.96 10.43 66.38 < 18 -2 -5 110.70 83.33 73.15 < 18 -2 -4 45.44 70.45 49.80 < 18 -2 -3 101.45 55.72 47.32 < 18 -2 -2 30.25 -24.38 56.46 < 18 -2 -1 110.68 197.56 72.23 < 18 -2 0 46.65 145.53 67.34 < 18 -2 1 111.65 126.80 62.46 < 18 -2 2 30.31 16.13 54.50 < 18 -2 3 102.73 38.56 72.71 < 18 -2 4 45.51 14.47 49.95 < 18 -2 5 110.40 95.06 60.90 < 18 -2 6 45.08 39.48 68.27 < 18 -2 7 78.55 210.39 79.89 < 18 -2 8 45.44 -1.33 70.90 < 18 -1 -8 47.11 5.88 67.86 < 18 -1 -7 64.40 10.40 68.60 < 18 -1 -6 49.33 -12.84 55.17 < 18 -1 -5 99.86 118.04 53.21 < 18 -1 -4 44.80 -26.86 58.35 < 18 -1 -3 96.04 49.77 48.55 < 18 -1 -2 43.72 183.38 60.09 o 18 -1 -1 131.61 88.59 55.80 < 18 -1 0 45.45 11.95 47.81 < 18 -1 1 133.11 181.31 76.26 < 18 -1 2 44.02 5.51 55.91 < 18 -1 3 93.60 76.04 58.54 < 18 -1 4 45.19 -48.51 68.05 < 18 -1 5 100.03 13.88 55.06 < 18 -1 6 49.75 14.95 64.20 < 18 -1 7 63.70 81.44 70.34 < 18 -1 8 48.13 78.74 109.86 < 18 0 -7 15.10 54.50 150.30 < 18 0 -6 647.96 437.96 84.52 o 18 0 -5 13.58 67.97 64.90 < 18 0 -4 6694.41 6476.05 335.08 o 18 0 -3 16.20 -148.93 78.33 < 18 0 -2 496.08 401.39 73.90 o 18 0 -1 14.41 -78.37 57.72 < 18 0 0 8185.34 8475.02 426.90 o 18 0 1 13.79 17.58 58.57 < 18 0 2 496.07 466.44 78.63 o 18 0 3 16.56 -95.83 70.04 < 18 0 4 6665.67 6360.37 334.43 o 18 0 5 12.77 -7.14 59.24 < 18 0 6 632.65 473.88 99.51 o 18 0 7 15.34 -100.87 109.12 < 18 1 -6 35.29 -61.68 88.17 < 18 1 -5 75.10 87.32 72.15 < 18 1 -4 36.90 -61.02 83.99 < 18 1 -3 114.99 71.08 64.46 < 18 1 -2 30.96 -16.98 55.24 < 18 1 -1 93.29 152.26 75.78 < 18 1 0 39.25 6.25 59.83 < 18 1 1 95.52 245.84 82.03 < 18 1 2 30.97 6.48 54.61 < 18 1 3 114.03 127.66 64.42 < 18 1 4 36.90 22.16 60.39 < 18 1 5 75.54 112.71 83.44 < 18 1 6 34.92 -146.64 135.65 < 18 2 -5 71.97 -29.93 164.99 < 18 2 -4 32.52 -40.22 72.93 < 18 2 -3 79.64 122.66 82.40 < 18 2 -2 27.22 -111.08 67.08 < 18 2 -1 91.69 -42.74 80.11 < 18 2 0 32.83 -9.21 63.98 < 18 2 1 93.83 53.06 59.42 < 18 2 2 27.26 16.28 82.37 < 18 2 3 76.40 55.13 73.34 < 18 2 4 32.04 -60.61 80.81 < 18 2 5 73.80 75.89 99.72 < 18 3 -3 21.81 417.63 181.68 < 18 3 -2 573.31 596.37 136.55 o 18 3 -1 20.39 -9.58 76.63 < 18 3 0 5283.73 4328.61 247.19 o 18 3 1 21.17 -3.92 67.68 < 18 3 2 584.29 442.39 128.15 o 19 -21 -1 71.03 181.05 122.29 < 19 -21 0 33.86 74.67 125.66 < 19 -21 1 72.34 93.10 96.87 < 19 -20 -4 1819.86 1941.99 187.23 o 19 -20 -3 7.77 48.14 62.50 < 19 -20 -2 4872.60 4235.83 234.30 o 19 -20 -1 4.03 60.83 49.73 < 19 -20 0 1993.20 1827.92 124.29 o 19 -20 1 3.70 29.01 47.36 < 19 -20 2 4903.13 4184.02 229.31 o 19 -20 3 8.24 40.55 91.17 < 19 -20 4 1846.89 1966.20 175.86 o 19 -19 -5 75.15 -26.27 106.79 < 19 -19 -4 45.91 -67.31 54.73 < 19 -19 -3 142.06 146.12 59.50 < 19 -19 -2 24.48 -26.12 51.62 < 19 -19 -1 95.49 118.33 54.95 < 19 -19 0 45.29 -44.40 43.88 < 19 -19 1 96.45 22.65 52.84 < 19 -19 2 24.05 -9.47 51.02 < 19 -19 3 140.89 79.74 70.19 < 19 -19 4 46.14 8.29 54.98 < 19 -19 5 75.92 142.05 73.08 < 19 -18 -6 35.15 -107.68 86.36 < 19 -18 -5 75.43 114.04 72.82 < 19 -18 -4 36.79 40.81 54.80 < 19 -18 -3 114.58 119.56 50.10 < 19 -18 -2 30.90 5.33 46.55 < 19 -18 -1 93.69 68.71 43.29 < 19 -18 0 39.25 -13.76 41.33 < 19 -18 1 95.11 41.52 56.39 < 19 -18 2 31.02 -72.12 43.51 < 19 -18 3 114.44 93.54 56.61 < 19 -18 4 37.02 -58.83 43.77 < 19 -18 5 75.21 62.61 50.21 < 19 -18 6 35.05 -36.26 69.08 < 19 -17 -7 8.23 -54.69 123.21 < 19 -17 -6 4204.45 3639.86 211.82 o 19 -17 -5 12.10 -38.56 46.14 < 19 -17 -4 1438.95 1719.81 159.92 o 19 -17 -3 2.20 -16.95 41.89 < 19 -17 -2 5599.40 5370.61 275.37 o 19 -17 -1 2.63 58.98 52.76 < 19 -17 0 1321.93 1285.24 97.11 o 19 -17 1 2.14 -35.89 37.93 < 19 -17 2 5590.89 5342.01 274.11 o 19 -17 3 2.12 -2.74 38.33 < 19 -17 4 1402.05 1456.09 99.82 o 19 -17 5 11.11 36.71 43.51 < 19 -17 6 4194.46 3515.72 194.46 o 19 -17 7 7.95 6.70 78.48 < 19 -16 -7 125.32 -12.03 70.60 < 19 -16 -6 42.72 7.18 53.87 < 19 -16 -5 73.22 -33.30 62.53 < 19 -16 -4 40.09 -36.59 61.02 < 19 -16 -3 145.83 115.45 52.73 < 19 -16 -2 36.58 -40.55 37.56 < 19 -16 -1 93.34 72.60 54.39 < 19 -16 0 44.03 -26.16 48.99 < 19 -16 1 94.26 73.00 44.74 < 19 -16 2 36.78 -7.22 40.04 < 19 -16 3 144.95 147.64 51.25 < 19 -16 4 41.65 27.53 39.30 < 19 -16 5 74.15 5.96 54.21 < 19 -16 6 42.88 16.17 47.55 < 19 -16 7 123.17 85.29 63.35 < 19 -15 -8 44.73 11.29 73.56 < 19 -15 -7 114.86 89.32 59.46 < 19 -15 -6 51.74 2.66 50.14 < 19 -15 -5 91.81 107.01 75.30 < 19 -15 -4 48.56 71.75 46.73 < 19 -15 -3 132.47 95.47 58.39 < 19 -15 -2 42.31 -36.22 47.18 < 19 -15 -1 102.24 101.90 50.54 < 19 -15 0 49.19 59.13 36.30 < 19 -15 1 104.16 77.71 50.10 < 19 -15 2 42.41 -16.13 47.55 < 19 -15 3 131.37 108.01 45.29 < 19 -15 4 48.80 11.14 50.91 < 19 -15 5 91.73 95.47 52.06 < 19 -15 6 51.97 -28.57 66.08 < 19 -15 7 111.96 28.08 63.16 < 19 -15 8 45.81 80.48 102.57 < 19 -14 -8 2289.47 2120.59 147.55 o 19 -14 -7 6.40 54.65 75.56 < 19 -14 -6 3972.43 4050.09 221.81 o 19 -14 -5 4.22 -32.38 49.58 < 19 -14 -4 3480.85 3965.06 215.44 o 19 -14 -3 5.17 -3.40 51.76 < 19 -14 -2 5159.70 4770.20 246.76 o 19 -14 -1 6.15 1.07 49.29 < 19 -14 0 3615.52 3685.07 196.64 o 19 -14 1 5.90 -9.29 53.91 < 19 -14 2 5120.87 5975.07 315.13 o 19 -14 3 5.85 42.66 54.17 < 19 -14 4 3509.08 3919.00 216.11 o 19 -14 5 4.32 -39.67 44.92 < 19 -14 6 3894.73 4147.10 225.05 o 19 -14 7 6.99 22.64 70.67 < 19 -14 8 2303.90 2404.53 148.64 o 19 -13 -9 60.63 89.77 90.95 < 19 -13 -8 48.48 -30.82 59.05 < 19 -13 -7 85.42 52.73 74.89 < 19 -13 -6 53.71 -48.40 45.59 < 19 -13 -5 121.11 78.11 59.24 < 19 -13 -4 40.30 -157.29 67.27 < 19 -13 -3 146.58 159.52 66.27 < 19 -13 -2 33.31 -55.65 40.04 < 19 -13 -1 133.11 162.48 47.99 o 19 -13 0 36.28 24.86 53.50 < 19 -13 1 132.34 269.01 63.09 o 19 -13 2 32.84 -39.67 46.62 < 19 -13 3 149.97 123.14 58.24 < 19 -13 4 40.09 0.93 45.81 < 19 -13 5 123.32 156.52 54.73 < 19 -13 6 52.18 5.29 48.58 < 19 -13 7 86.77 125.25 60.65 < 19 -13 8 48.64 42.07 59.72 < 19 -13 9 62.85 442.69 124.55 o 19 -12 -9 69.23 -60.46 115.78 < 19 -12 -8 53.99 -33.78 59.87 < 19 -12 -7 116.74 143.12 71.93 < 19 -12 -6 49.18 86.32 56.02 < 19 -12 -5 137.52 113.11 57.94 < 19 -12 -4 52.16 16.80 44.48 < 19 -12 -3 172.30 154.27 68.16 < 19 -12 -2 36.68 16.58 58.87 < 19 -12 -1 150.73 78.48 45.70 < 19 -12 0 48.53 4.92 46.88 < 19 -12 1 149.05 96.21 46.11 < 19 -12 2 36.68 -43.66 40.70 < 19 -12 3 177.42 212.94 59.02 o 19 -12 4 51.76 -71.78 61.20 < 19 -12 5 137.82 233.93 59.54 o 19 -12 6 49.17 26.57 50.43 < 19 -12 7 119.23 27.31 66.97 < 19 -12 8 54.02 72.30 55.84 < 19 -12 9 69.77 286.62 112.45 < 19 -11 -9 16.93 57.87 74.74 < 19 -11 -8 2403.27 2084.82 144.74 o 19 -11 -7 13.21 -46.47 59.13 < 19 -11 -6 7249.06 7273.23 367.98 o 19 -11 -5 18.06 16.50 42.14 < 19 -11 -4 3682.88 3785.59 208.86 o 19 -11 -3 10.60 24.57 50.06 < 19 -11 -2 10126.20 11900.50 586.25 o 19 -11 -1 13.10 10.99 52.39 < 19 -11 0 3770.36 4004.45 219.42 o 19 -11 1 12.77 -45.92 84.88 < 19 -11 2 10138.50 10037.10 500.72 o 19 -11 3 10.82 23.46 56.91 < 19 -11 4 3700.84 4011.43 218.97 o 19 -11 5 17.87 -42.70 43.85 < 19 -11 6 7291.18 7818.49 394.01 o 19 -11 7 13.56 68.67 60.42 < 19 -11 8 2399.39 2185.86 140.91 o 19 -11 9 17.10 19.83 106.42 < 19 -10 -9 34.21 72.67 76.37 < 19 -10 -8 35.85 37.89 82.48 < 19 -10 -7 120.79 125.44 61.09 < 19 -10 -6 44.29 -19.39 52.95 < 19 -10 -5 66.56 40.59 46.44 < 19 -10 -4 26.32 -25.23 39.70 < 19 -10 -3 134.38 114.41 61.57 < 19 -10 -2 41.93 10.25 48.25 < 19 -10 -1 94.24 133.61 66.42 < 19 -10 0 19.73 -9.95 48.95 < 19 -10 1 91.03 151.38 69.30 < 19 -10 2 42.38 -144.27 66.34 < 19 -10 3 138.00 111.71 58.20 < 19 -10 4 25.56 92.61 51.40 < 19 -10 5 63.29 -49.77 57.28 < 19 -10 6 44.77 -7.55 42.00 < 19 -10 7 122.76 104.60 50.47 < 19 -10 8 34.95 31.04 46.99 < 19 -10 9 31.14 1.26 102.35 < 19 -9 -9 28.11 13.51 63.79 < 19 -9 -8 49.40 -4.74 62.16 < 19 -9 -7 119.79 61.35 53.02 < 19 -9 -6 29.90 16.39 44.33 < 19 -9 -5 72.14 88.21 48.62 < 19 -9 -4 53.94 -10.58 53.13 < 19 -9 -3 142.49 161.41 60.91 < 19 -9 -2 20.89 31.19 52.06 < 19 -9 -1 92.31 103.49 46.36 < 19 -9 0 51.36 -54.54 64.75 < 19 -9 1 91.74 74.30 46.70 < 19 -9 2 21.06 2.74 37.67 < 19 -9 3 145.07 93.84 46.33 < 19 -9 4 53.59 -7.44 53.50 < 19 -9 5 72.83 117.82 72.19 < 19 -9 6 30.45 35.85 53.73 < 19 -9 7 119.31 39.48 59.39 < 19 -9 8 49.33 -69.38 47.58 < 19 -9 9 27.54 -91.25 91.50 < 19 -8 -9 14.69 -43.77 64.42 < 19 -8 -8 1918.62 1594.96 121.38 o 19 -8 -7 24.73 61.90 64.72 < 19 -8 -6 6658.85 6112.36 313.31 o 19 -8 -5 16.17 74.78 54.21 < 19 -8 -4 2752.10 3062.92 183.29 o 19 -8 -3 23.59 -52.80 61.35 < 19 -8 -2 9172.94 10317.70 511.24 o 19 -8 -1 17.12 39.07 45.55 < 19 -8 0 2699.76 3126.97 186.43 o 19 -8 1 17.74 17.39 43.62 < 19 -8 2 9178.35 9920.94 491.98 o 19 -8 3 22.59 -86.21 52.51 < 19 -8 4 2748.60 2572.49 161.73 o 19 -8 5 16.46 42.96 51.36 < 19 -8 6 6689.04 6502.34 331.07 o 19 -8 7 23.85 -133.17 61.24 < 19 -8 8 1889.23 1574.68 111.13 o 19 -8 9 14.97 17.32 138.90 < 19 -7 -9 43.20 -6.29 84.95 < 19 -7 -8 37.09 8.21 65.31 < 19 -7 -7 121.07 62.79 60.42 < 19 -7 -6 45.32 22.68 44.77 < 19 -7 -5 98.70 70.01 78.70 < 19 -7 -4 34.78 -103.60 52.47 < 19 -7 -3 148.98 100.28 55.39 < 19 -7 -2 44.60 -67.38 54.02 < 19 -7 -1 133.20 115.37 55.87 < 19 -7 0 31.62 -30.42 52.51 < 19 -7 1 132.93 71.45 52.73 < 19 -7 2 45.03 -19.02 51.58 < 19 -7 3 149.98 195.15 64.01 o 19 -7 4 35.49 -4.14 68.82 < 19 -7 5 98.33 201.15 57.98 o 19 -7 6 46.35 -0.04 47.77 < 19 -7 7 120.22 108.30 59.94 < 19 -7 8 38.47 51.28 55.61 < 19 -7 9 43.23 -3.59 91.21 < 19 -6 -9 48.70 20.02 86.80 < 19 -6 -8 41.46 -42.92 62.31 < 19 -6 -7 108.14 67.01 61.16 < 19 -6 -6 32.08 -13.43 43.99 < 19 -6 -5 85.51 99.27 59.50 < 19 -6 -4 42.48 -56.91 50.06 < 19 -6 -3 137.99 168.18 57.58 < 19 -6 -2 25.70 -27.49 65.46 < 19 -6 -1 95.84 57.43 62.46 < 19 -6 0 37.60 25.90 53.02 < 19 -6 1 91.81 7.96 54.69 < 19 -6 2 25.64 39.04 44.33 < 19 -6 3 142.75 202.22 63.53 o 19 -6 4 42.11 19.83 70.30 < 19 -6 5 83.26 133.65 52.73 < 19 -6 6 32.10 79.78 82.81 < 19 -6 7 109.00 97.46 72.34 < 19 -6 8 41.29 25.27 67.60 < 19 -6 9 46.24 142.31 106.19 < 19 -5 -8 1487.03 1078.66 122.23 o 19 -5 -7 15.47 31.75 58.43 < 19 -5 -6 5295.28 5296.26 281.76 o 19 -5 -5 21.19 20.68 50.65 < 19 -5 -4 2193.93 2366.24 149.68 o 19 -5 -3 25.83 -1.52 48.14 < 19 -5 -2 7429.85 7753.70 397.05 o 19 -5 -1 28.62 35.15 55.72 < 19 -5 0 2246.90 2498.22 155.40 o 19 -5 1 28.88 14.76 54.24 < 19 -5 2 7436.17 8527.47 432.51 o 19 -5 3 26.33 -40.37 54.21 < 19 -5 4 2204.66 2356.02 148.82 o 19 -5 5 22.08 11.32 71.26 < 19 -5 6 5315.28 5927.56 312.15 o 19 -5 7 16.15 42.85 67.16 < 19 -5 8 1471.85 1538.87 136.73 o 19 -4 -8 35.74 -3.15 77.22 < 19 -4 -7 106.69 62.24 68.27 < 19 -4 -6 38.98 -35.71 52.95 < 19 -4 -5 81.94 148.19 67.71 < 19 -4 -4 27.85 76.67 63.05 < 19 -4 -3 132.01 96.21 51.29 < 19 -4 -2 28.09 24.72 78.29 < 19 -4 -1 122.52 137.57 64.53 < 19 -4 0 19.83 -51.73 55.17 < 19 -4 1 124.39 167.10 51.54 o 19 -4 2 27.61 -45.25 47.10 < 19 -4 3 131.74 116.48 63.46 < 19 -4 4 28.03 31.86 52.14 < 19 -4 5 82.49 160.33 64.79 < 19 -4 6 38.12 63.72 58.31 < 19 -4 7 106.77 237.18 106.71 < 19 -4 8 36.06 -103.90 144.34 < 19 -3 -7 91.67 53.69 76.74 < 19 -3 -6 48.55 66.64 71.60 < 19 -3 -5 79.52 135.20 56.72 < 19 -3 -4 38.33 5.55 51.80 < 19 -3 -3 127.67 74.56 52.25 < 19 -3 -2 40.34 16.06 57.06 < 19 -3 -1 91.28 -15.10 49.99 < 19 -3 0 35.03 42.51 65.01 < 19 -3 1 92.03 148.71 61.16 < 19 -3 2 40.16 161.22 73.93 < 19 -3 3 128.08 190.71 69.34 < 19 -3 4 38.95 -9.88 59.54 < 19 -3 5 81.42 120.92 81.48 < 19 -3 6 48.12 -57.98 70.78 < 19 -3 7 90.57 139.09 82.44 < 19 -2 -7 11.38 32.08 91.62 < 19 -2 -6 3209.18 2689.94 178.98 o 19 -2 -5 11.82 -69.78 85.40 < 19 -2 -4 2833.52 2562.80 161.90 o 19 -2 -3 7.83 14.84 65.60 < 19 -2 -2 4248.50 4110.83 227.23 o 19 -2 -1 7.69 -31.04 50.80 < 19 -2 0 2924.41 3057.40 181.36 o 19 -2 1 7.10 13.25 54.95 < 19 -2 2 4235.06 4391.72 241.07 o 19 -2 3 7.87 -50.73 54.24 < 19 -2 4 2848.36 2898.39 177.53 o 19 -2 5 10.70 59.28 82.29 < 19 -2 6 3185.39 3109.18 190.63 o 19 -2 7 11.07 76.22 99.31 < 19 -1 -6 29.60 33.19 141.35 < 19 -1 -5 95.78 78.78 64.86 < 19 -1 -4 39.09 85.69 69.04 < 19 -1 -3 127.13 132.88 78.85 < 19 -1 -2 29.01 26.72 61.02 < 19 -1 -1 117.10 149.78 71.12 < 19 -1 0 36.53 -10.84 55.87 < 19 -1 1 117.25 10.29 76.19 < 19 -1 2 28.63 89.91 71.04 < 19 -1 3 126.78 116.93 66.20 < 19 -1 4 39.47 -32.52 70.56 < 19 -1 5 93.67 66.35 86.99 < 19 -1 6 28.46 -11.25 95.06 < 19 0 -5 75.30 18.13 100.46 < 19 0 -4 46.04 -55.54 73.00 < 19 0 -3 141.98 86.18 69.53 < 19 0 -2 24.53 -8.77 70.78 < 19 0 -1 95.62 33.82 81.22 < 19 0 0 45.28 9.32 81.00 < 19 0 1 96.33 0.93 63.16 < 19 0 2 24.01 -46.62 59.91 < 19 0 3 140.99 208.88 72.30 < 19 0 4 46.01 115.37 67.82 < 19 0 5 75.78 43.70 97.65 < 19 1 -4 1668.78 1021.48 174.82 o 19 1 -3 15.19 -63.83 132.50 < 19 1 -2 4919.22 4418.60 252.87 o 19 1 -1 14.92 -50.03 88.62 < 19 1 0 1677.49 1565.87 139.90 o 19 1 1 15.52 19.02 69.93 < 19 1 2 4924.15 4402.18 253.38 o 19 1 3 14.84 -122.14 95.98 < 19 1 4 1659.78 1410.28 214.20 o 19 2 -1 72.86 -111.82 187.12 < 19 2 0 43.48 120.70 110.26 < 19 2 1 71.51 -68.31 130.91 < 20 -20 -2 35.53 48.77 92.24 < 20 -20 -1 106.30 13.02 101.83 < 20 -20 0 27.60 -41.96 75.59 < 20 -20 1 104.91 53.28 88.51 < 20 -20 2 35.92 -125.77 93.17 < 20 -19 -4 1666.42 1466.62 162.75 o 20 -19 -3 15.18 53.13 63.79 < 20 -19 -2 4920.55 4346.86 235.57 o 20 -19 -1 14.90 26.20 49.14 < 20 -19 0 1677.37 1474.31 114.66 o 20 -19 1 15.54 49.43 64.83 < 20 -19 2 4923.06 4373.45 234.60 o 20 -19 3 14.84 54.91 72.23 < 20 -19 4 1661.89 1321.85 138.74 o 20 -18 -5 72.20 86.95 94.06 < 20 -18 -4 32.42 27.53 62.35 < 20 -18 -3 79.29 0.63 53.54 < 20 -18 -2 27.16 -108.30 66.45 < 20 -18 -1 92.08 77.63 56.28 < 20 -18 0 32.83 -10.92 44.44 < 20 -18 1 93.44 122.81 74.67 < 20 -18 2 27.32 18.72 49.21 < 20 -18 3 76.73 -15.17 46.44 < 20 -18 4 32.14 3.55 47.21 < 20 -18 5 73.57 4.07 79.92 < 20 -17 -6 38.68 78.33 82.51 < 20 -17 -5 98.99 54.69 71.49 < 20 -17 -4 33.18 4.63 53.21 < 20 -17 -3 83.17 102.05 52.69 < 20 -17 -2 37.28 -49.80 42.48 < 20 -17 -1 111.61 61.35 52.65 < 20 -17 0 29.93 121.44 62.98 < 20 -17 1 109.91 -12.36 46.03 < 20 -17 2 37.48 -9.55 62.27 < 20 -17 3 82.97 50.62 43.92 < 20 -17 4 33.00 -68.49 59.65 < 20 -17 5 99.99 96.94 60.35 < 20 -17 6 38.80 54.65 66.94 < 20 -16 -6 3761.66 3209.98 195.94 o 20 -16 -5 15.28 38.15 58.17 < 20 -16 -4 2735.56 2836.49 169.79 o 20 -16 -3 6.43 31.19 48.80 < 20 -16 -2 5100.14 4861.46 252.66 o 20 -16 -1 9.14 45.29 45.99 < 20 -16 0 2851.47 2731.78 157.78 o 20 -16 1 9.07 18.50 39.52 < 20 -16 2 5104.71 4880.38 252.62 o 20 -16 3 5.97 8.84 40.70 < 20 -16 4 2758.18 2337.08 143.24 o 20 -16 5 14.67 -2.78 52.69 < 20 -16 6 3781.59 3606.90 209.13 o 20 -15 -7 60.10 -25.72 76.59 < 20 -15 -6 46.69 -94.47 62.35 < 20 -15 -5 104.26 174.76 65.27 < 20 -15 -4 47.48 163.25 74.00 < 20 -15 -3 107.11 101.61 48.47 < 20 -15 -2 45.76 11.58 38.93 < 20 -15 -1 138.57 125.14 46.33 < 20 -15 0 47.34 24.79 37.78 < 20 -15 1 138.85 55.73 47.88 < 20 -15 2 46.31 34.82 46.21 < 20 -15 3 105.20 80.63 58.80 < 20 -15 4 48.72 -72.56 60.87 < 20 -15 5 104.85 129.32 64.27 < 20 -15 6 47.92 40.33 63.83 < 20 -15 7 59.75 -23.46 111.15 < 20 -14 -7 33.11 -6.29 75.85 < 20 -14 -6 42.40 14.84 61.09 < 20 -14 -5 118.92 67.05 52.28 < 20 -14 -4 31.46 113.82 75.11 < 20 -14 -3 87.87 59.05 52.10 < 20 -14 -2 43.64 105.23 47.58 < 20 -14 -1 125.68 146.08 50.17 < 20 -14 0 31.20 31.53 41.81 < 20 -14 1 124.28 80.66 56.10 < 20 -14 2 44.09 44.33 48.51 < 20 -14 3 85.86 6.03 44.07 < 20 -14 4 31.98 -69.41 51.65 < 20 -14 5 118.61 222.64 90.32 < 20 -14 6 43.26 57.31 69.93 < 20 -14 7 32.00 54.10 69.16 < 20 -13 -8 1806.02 1465.60 164.84 o 20 -13 -7 10.63 38.19 75.00 < 20 -13 -6 3991.35 4030.52 226.16 o 20 -13 -5 10.61 -59.13 54.17 < 20 -13 -4 2706.76 2737.97 162.05 o 20 -13 -3 14.39 121.88 79.44 < 20 -13 -2 5411.82 5665.61 295.79 o 20 -13 -1 12.25 -25.90 36.96 < 20 -13 0 2815.02 2997.45 172.40 o 20 -13 1 11.75 -30.38 59.57 < 20 -13 2 5398.52 5546.70 294.84 o 20 -13 3 15.13 29.90 50.54 < 20 -13 4 2737.24 2895.49 182.03 o 20 -13 5 10.19 15.76 60.20 < 20 -13 6 3969.46 3924.35 216.99 o 20 -13 7 11.22 -1.22 61.39 < 20 -13 8 1825.28 2231.47 247.72 o 20 -12 -8 51.64 72.45 77.22 < 20 -12 -7 59.51 20.17 65.97 < 20 -12 -6 45.98 -55.32 55.35 < 20 -12 -5 99.76 -15.17 50.14 < 20 -12 -4 42.95 -46.22 43.62 < 20 -12 -3 98.63 168.14 69.05 < 20 -12 -2 33.93 42.26 56.54 < 20 -12 -1 125.11 113.37 66.53 < 20 -12 0 37.91 -12.32 46.77 < 20 -12 1 122.57 184.75 60.20 o 20 -12 2 33.82 -27.27 49.40 < 20 -12 3 97.86 113.45 60.05 < 20 -12 4 42.41 79.18 79.78 < 20 -12 5 98.10 42.26 47.77 < 20 -12 6 45.76 -50.25 64.64 < 20 -12 7 60.44 -13.36 59.28 < 20 -12 8 51.02 59.35 95.32 < 20 -11 -8 40.89 -100.75 75.04 < 20 -11 -7 43.08 100.72 83.66 < 20 -11 -6 60.07 -24.01 59.79 < 20 -11 -5 87.62 105.82 61.53 < 20 -11 -4 33.68 34.56 43.48 < 20 -11 -3 94.08 -12.28 65.83 < 20 -11 -2 55.12 55.17 69.97 < 20 -11 -1 116.33 130.65 61.39 < 20 -11 0 29.65 12.88 77.96 < 20 -11 1 117.44 109.60 49.77 < 20 -11 2 55.16 45.92 45.99 < 20 -11 3 91.42 110.86 49.66 < 20 -11 4 33.68 -17.61 56.50 < 20 -11 5 89.54 26.60 56.87 < 20 -11 6 60.09 -12.14 56.58 < 20 -11 7 42.71 94.32 59.83 < 20 -11 8 40.96 23.27 96.76 < 20 -10 -8 1242.54 806.38 119.11 o 20 -10 -7 15.65 -82.85 71.26 < 20 -10 -6 5376.46 4788.94 255.10 o 20 -10 -5 14.44 10.18 60.57 < 20 -10 -4 1781.46 1681.51 115.42 o 20 -10 -3 19.12 65.71 61.57 < 20 -10 -2 7420.38 8877.27 446.26 o 20 -10 -1 18.27 39.15 55.76 < 20 -10 0 1780.53 1917.82 136.50 o 20 -10 1 18.80 57.87 63.31 < 20 -10 2 7423.98 7410.67 377.65 o 20 -10 3 18.93 42.14 54.72 < 20 -10 4 1787.65 2199.80 159.62 o 20 -10 5 15.12 -81.25 76.63 < 20 -10 6 5394.62 5460.17 288.31 o 20 -10 7 15.60 -11.17 50.03 < 20 -10 8 1223.39 1158.80 151.87 o 20 -9 -8 29.26 -25.23 99.53 < 20 -9 -7 59.39 38.15 55.95 < 20 -9 -6 24.75 54.10 60.24 < 20 -9 -5 139.28 164.40 54.84 < 20 -9 -4 24.29 14.02 63.38 < 20 -9 -3 115.18 58.06 69.53 < 20 -9 -2 22.51 22.94 56.72 < 20 -9 -1 159.15 200.03 60.79 o 20 -9 0 23.44 31.27 55.65 < 20 -9 1 156.07 210.25 69.12 o 20 -9 2 22.48 107.49 56.28 < 20 -9 3 114.41 125.47 57.94 < 20 -9 4 24.14 5.07 68.16 < 20 -9 5 139.66 28.12 48.84 < 20 -9 6 24.07 14.36 54.24 < 20 -9 7 59.21 -23.13 76.63 < 20 -9 8 27.57 -7.96 89.99 < 20 -8 -8 43.36 58.31 97.02 < 20 -8 -7 53.53 100.72 64.79 < 20 -8 -6 49.55 -43.74 50.36 < 20 -8 -5 160.18 118.63 69.71 < 20 -8 -4 36.79 11.51 66.68 < 20 -8 -3 98.49 170.43 70.08 < 20 -8 -2 45.33 33.78 49.32 < 20 -8 -1 156.64 102.90 52.84 < 20 -8 0 32.27 -6.66 48.84 < 20 -8 1 154.34 77.30 63.35 < 20 -8 2 45.00 0.67 61.64 < 20 -8 3 97.22 39.18 58.98 < 20 -8 4 35.59 -11.17 52.25 < 20 -8 5 159.09 141.13 63.39 < 20 -8 6 48.67 -30.97 48.84 < 20 -8 7 51.72 -16.21 52.87 < 20 -8 8 41.08 47.69 104.79 < 20 -7 -8 1945.28 1483.87 159.85 o 20 -7 -7 14.07 8.03 71.19 < 20 -7 -6 5568.19 4707.02 258.25 o 20 -7 -5 12.56 69.41 62.35 < 20 -7 -4 2897.19 3492.92 200.46 o 20 -7 -3 9.64 -24.75 58.24 < 20 -7 -2 7352.67 7715.59 397.05 o 20 -7 -1 9.75 -12.88 51.17 < 20 -7 0 2958.31 3433.60 202.06 o 20 -7 1 9.89 120.44 59.65 < 20 -7 2 7335.69 8249.76 417.88 o 20 -7 3 9.18 32.82 56.54 < 20 -7 4 2904.15 3464.95 198.91 o 20 -7 5 12.48 52.13 54.02 < 20 -7 6 5544.90 5636.98 298.57 o 20 -7 7 13.38 20.61 74.34 < 20 -7 8 1936.77 1825.75 186.51 o 20 -6 -7 24.75 117.52 70.23 < 20 -6 -6 48.43 -99.76 72.52 < 20 -6 -5 83.06 71.08 71.64 < 20 -6 -4 40.17 -120.18 74.63 < 20 -6 -3 72.63 68.68 59.54 < 20 -6 -2 41.79 61.50 52.43 < 20 -6 -1 95.81 155.41 62.68 < 20 -6 0 33.36 60.72 67.86 < 20 -6 1 95.94 103.20 76.19 < 20 -6 2 41.59 4.44 49.88 < 20 -6 3 69.95 109.60 81.00 < 20 -6 4 40.39 -87.36 78.70 < 20 -6 5 85.46 42.74 64.09 < 20 -6 6 48.32 -25.31 65.75 < 20 -6 7 23.93 -44.18 70.97 < 20 -5 -7 39.78 -1.67 105.93 < 20 -5 -6 51.20 -65.38 70.04 < 20 -5 -5 86.77 47.99 65.46 < 20 -5 -4 30.60 8.88 63.09 < 20 -5 -3 80.06 17.32 70.19 < 20 -5 -2 49.38 -32.52 52.10 < 20 -5 -1 110.49 24.79 52.51 < 20 -5 0 23.65 -5.07 50.62 < 20 -5 1 110.11 88.55 62.46 < 20 -5 2 49.44 46.73 52.91 < 20 -5 3 80.70 57.28 55.35 < 20 -5 4 31.25 31.93 71.01 < 20 -5 5 86.63 99.91 65.09 < 20 -5 6 51.98 -98.05 73.26 < 20 -5 7 41.42 -84.47 106.12 < 20 -4 -6 3456.49 2804.56 182.78 o 20 -4 -5 10.30 -70.23 79.52 < 20 -4 -4 1978.53 2216.17 158.95 o 20 -4 -3 7.03 -0.70 77.78 < 20 -4 -2 4511.92 4274.16 239.00 o 20 -4 -1 7.13 -70.12 70.97 < 20 -4 0 1924.60 2229.39 147.05 o 20 -4 1 6.69 -18.98 66.23 < 20 -4 2 4495.83 4842.06 261.45 o 20 -4 3 7.40 68.34 73.74 < 20 -4 4 1960.61 2189.11 154.56 o 20 -4 5 9.72 72.82 79.29 < 20 -4 6 3430.59 3155.28 198.09 o 20 -3 -6 31.50 26.83 122.47 < 20 -3 -5 90.55 63.12 86.51 < 20 -3 -4 34.26 8.58 82.33 < 20 -3 -3 83.54 77.93 65.05 < 20 -3 -2 26.91 8.40 74.26 < 20 -3 -1 105.50 99.46 65.34 < 20 -3 0 29.06 21.42 68.79 < 20 -3 1 104.16 61.05 65.97 < 20 -3 2 27.04 63.86 92.95 < 20 -3 3 82.45 71.78 73.23 < 20 -3 4 34.37 -30.19 84.81 < 20 -3 5 90.99 112.78 70.27 < 20 -3 6 31.88 -111.04 145.56 < 20 -2 -5 99.36 -100.68 141.86 < 20 -2 -4 27.96 6.59 74.08 < 20 -2 -3 86.91 94.76 70.38 < 20 -2 -2 31.87 -37.82 58.72 < 20 -2 -1 112.93 191.63 97.39 < 20 -2 0 23.39 27.08 60.39 < 20 -2 1 113.09 69.60 77.56 < 20 -2 2 31.81 62.20 87.80 < 20 -2 3 87.16 27.01 76.04 < 20 -2 4 28.07 114.37 85.25 < 20 -2 5 99.02 121.89 127.81 < 20 -1 -4 1818.28 1816.12 257.99 o 20 -1 -3 7.79 -69.71 114.00 < 20 -1 -2 4873.79 3938.48 235.05 o 20 -1 -1 4.02 15.24 79.66 < 20 -1 0 1993.26 1889.41 141.32 o 20 -1 1 3.70 -140.64 89.21 < 20 -1 2 4901.82 4333.83 249.27 o 20 -1 3 8.21 -90.10 115.89 < 20 -1 4 1848.52 1594.36 226.83 o 20 0 -2 35.60 152.04 165.62 < 20 0 -1 106.35 -0.33 110.64 < 20 0 0 27.60 -4.66 106.82 < 20 0 1 104.87 351.59 180.42 < 20 0 2 35.85 48.62 107.45 < 21 -19 -1 72.58 144.05 125.03 < 21 -19 0 43.48 -72.26 76.63 < 21 -19 1 71.80 64.27 81.07 < 21 -18 -3 21.83 -3.40 95.17 < 21 -18 -2 573.43 515.18 88.59 o 21 -18 -1 20.37 -11.47 53.39 < 21 -18 0 5283.68 4564.54 250.16 o 21 -18 1 21.19 -84.18 74.11 < 21 -18 2 584.29 526.32 72.90 o 21 -18 3 21.75 -39.85 72.04 < 21 -17 -4 30.80 -113.04 110.34 < 21 -17 -3 92.88 82.33 69.23 < 21 -17 -2 33.45 -79.52 72.89 < 21 -17 -1 120.61 53.58 47.62 < 21 -17 0 24.95 28.86 52.51 < 21 -17 1 121.38 4.48 56.39 < 21 -17 2 33.30 -41.44 67.12 < 21 -17 3 93.20 -13.69 57.09 < 21 -17 4 30.33 -14.47 68.97 < 21 -16 -5 94.30 88.58 108.01 < 21 -16 -4 45.75 63.27 93.24 < 21 -16 -3 115.25 56.83 48.66 < 21 -16 -2 36.14 18.98 52.69 < 21 -16 -1 116.91 54.02 49.29 < 21 -16 0 42.93 -49.69 58.54 < 21 -16 1 117.48 105.68 54.47 < 21 -16 2 35.72 -49.06 52.95 < 21 -16 3 114.66 138.32 55.65 < 21 -16 4 45.75 63.42 78.07 < 21 -16 5 92.65 5.33 90.17 < 21 -15 -6 413.70 334.23 115.01 < 21 -15 -5 16.90 -13.02 73.97 < 21 -15 -4 6390.49 6151.21 328.86 o 21 -15 -3 18.38 -77.48 64.31 < 21 -15 -2 269.39 198.41 67.49 < 21 -15 -1 15.68 55.61 48.88 < 21 -15 0 7696.90 6690.30 339.85 o 21 -15 1 15.12 1.81 46.47 < 21 -15 2 265.03 304.16 76.52 o 21 -15 3 18.53 -106.49 51.36 < 21 -15 4 6359.46 6333.85 335.36 o 21 -15 5 16.03 137.98 77.30 < 21 -15 6 391.42 352.04 121.11 < 21 -14 -6 34.44 -4.37 80.59 < 21 -14 -5 70.90 84.11 77.30 < 21 -14 -4 41.18 2.85 64.49 < 21 -14 -3 74.46 28.82 76.48 < 21 -14 -2 35.85 60.87 57.02 < 21 -14 -1 87.84 67.01 51.77 < 21 -14 0 37.57 23.64 48.55 < 21 -14 1 90.34 116.85 51.14 < 21 -14 2 35.95 4.74 56.46 < 21 -14 3 73.64 87.36 66.97 < 21 -14 4 42.15 -10.47 55.06 < 21 -14 5 70.79 89.51 61.20 < 21 -14 6 35.18 32.67 96.24 < 21 -13 -6 40.74 -75.56 84.07 < 21 -13 -5 58.76 15.50 63.64 < 21 -13 -4 36.06 29.19 59.42 < 21 -13 -3 93.97 28.27 66.27 < 21 -13 -2 42.89 -47.36 59.79 < 21 -13 -1 95.89 146.75 74.67 < 21 -13 0 32.01 -30.93 46.55 < 21 -13 1 98.26 34.71 53.24 < 21 -13 2 43.04 9.25 58.65 < 21 -13 3 92.53 108.34 62.64 < 21 -13 4 37.41 23.46 57.43 < 21 -13 5 58.47 22.72 66.75 < 21 -13 6 41.38 136.09 59.35 < 21 -12 -7 9.93 -105.19 104.53 < 21 -12 -6 685.73 532.30 88.66 o 21 -12 -5 5.45 -146.90 84.99 < 21 -12 -4 5473.79 5299.87 279.60 o 21 -12 -3 5.23 -36.00 48.36 < 21 -12 -2 507.39 507.02 87.66 o 21 -12 -1 4.65 86.14 64.16 < 21 -12 0 6653.23 7446.38 383.24 o 21 -12 1 4.49 -19.13 55.61 < 21 -12 2 505.35 677.97 83.71 o 21 -12 3 5.31 29.45 80.26 < 21 -12 4 5427.76 5473.68 291.95 o 21 -12 5 5.20 -19.13 53.98 < 21 -12 6 666.99 524.82 89.56 o 21 -12 7 9.79 -7.81 79.96 < 21 -11 -7 70.14 19.06 85.95 < 21 -11 -6 55.88 57.65 82.14 < 21 -11 -5 75.61 54.17 58.50 < 21 -11 -4 37.99 120.92 73.71 < 21 -11 -3 88.46 143.05 59.05 < 21 -11 -2 47.84 -8.03 66.38 < 21 -11 -1 101.77 46.44 55.87 < 21 -11 0 29.59 -7.40 61.98 < 21 -11 1 103.45 15.58 66.79 < 21 -11 2 47.65 -27.05 48.40 < 21 -11 3 89.39 10.84 76.00 < 21 -11 4 37.59 21.13 63.49 < 21 -11 5 75.81 113.37 66.86 < 21 -11 6 56.26 217.01 74.59 < 21 -11 7 70.77 12.43 112.75 < 21 -10 -7 74.38 230.85 128.95 < 21 -10 -6 42.22 87.29 79.26 < 21 -10 -5 87.60 -1.85 54.25 < 21 -10 -4 37.77 -67.31 50.25 < 21 -10 -3 97.05 76.11 63.72 < 21 -10 -2 37.85 84.36 81.11 < 21 -10 -1 126.39 113.15 56.91 < 21 -10 0 35.27 -59.91 60.53 < 21 -10 1 129.67 153.70 70.08 < 21 -10 2 37.92 -77.89 61.83 < 21 -10 3 95.58 88.29 65.57 < 21 -10 4 37.86 27.31 77.22 < 21 -10 5 90.15 137.35 62.38 < 21 -10 6 42.39 -42.11 65.60 < 21 -10 7 74.18 6.85 107.97 < 21 -9 -7 6.28 53.98 87.77 < 21 -9 -6 787.28 590.09 89.29 o 21 -9 -5 14.11 83.25 81.48 < 21 -9 -4 7337.63 7504.76 387.80 o 21 -9 -3 3.78 51.58 63.79 < 21 -9 -2 889.51 1010.62 98.77 o 21 -9 -1 5.49 -114.44 61.20 < 21 -9 0 9292.38 10196.60 511.09 o 21 -9 1 5.89 -85.03 60.16 < 21 -9 2 905.65 916.70 119.94 o 21 -9 3 3.67 87.73 63.53 < 21 -9 4 7405.54 7832.26 400.99 o 21 -9 5 14.95 111.04 77.48 < 21 -9 6 803.81 727.54 95.99 o 21 -9 7 6.52 -74.00 79.92 < 21 -8 -6 29.41 34.86 75.85 < 21 -8 -5 108.25 35.23 61.98 < 21 -8 -4 29.42 -29.90 58.83 < 21 -8 -3 77.80 87.95 67.08 < 21 -8 -2 22.03 -13.10 56.80 < 21 -8 -1 106.07 57.65 55.84 < 21 -8 0 27.45 -78.37 67.31 < 21 -8 1 106.71 180.01 74.41 < 21 -8 2 21.84 25.12 67.64 < 21 -8 3 78.69 14.06 57.21 < 21 -8 4 29.27 8.33 77.85 < 21 -8 5 107.81 27.23 71.41 < 21 -8 6 29.07 52.32 82.48 < 21 -7 -6 37.89 -43.59 71.60 < 21 -7 -5 69.67 91.17 71.89 < 21 -7 -4 43.01 -16.21 85.47 < 21 -7 -3 63.11 68.19 66.08 < 21 -7 -2 32.80 35.63 66.12 < 21 -7 -1 85.40 143.83 67.12 < 21 -7 0 43.30 -86.95 54.50 < 21 -7 1 84.49 -21.02 70.04 < 21 -7 2 32.80 53.95 54.65 < 21 -7 3 63.61 130.40 70.56 < 21 -7 4 42.70 130.17 78.96 < 21 -7 5 67.49 34.34 63.16 < 21 -7 6 37.55 38.74 97.35 < 21 -6 -6 568.97 285.06 133.33 < 21 -6 -5 5.77 -66.23 75.70 < 21 -6 -4 5244.66 4461.29 255.90 o 21 -6 -3 4.49 165.17 89.73 < 21 -6 -2 457.89 370.01 82.37 o 21 -6 -1 3.61 53.87 71.41 < 21 -6 0 6356.39 6561.44 342.40 o 21 -6 1 3.22 -41.89 57.13 < 21 -6 2 458.88 442.60 95.80 o 21 -6 3 4.83 40.59 71.82 < 21 -6 4 5212.53 5158.58 285.22 o 21 -6 5 5.33 -33.52 100.20 < 21 -6 6 558.68 555.90 141.54 o 21 -5 -5 77.00 64.35 139.24 < 21 -5 -4 35.96 36.85 88.43 < 21 -5 -3 102.55 116.63 73.34 < 21 -5 -2 25.05 77.22 67.05 < 21 -5 -1 89.08 222.05 76.74 < 21 -5 0 38.39 -57.94 75.78 < 21 -5 1 90.93 1.26 67.12 < 21 -5 2 25.34 -27.97 66.57 < 21 -5 3 101.24 91.84 72.04 < 21 -5 4 36.06 -20.72 72.75 < 21 -5 5 75.93 130.10 120.03 < 21 -4 -4 30.74 -17.02 107.19 < 21 -4 -3 82.94 -132.83 76.44 < 21 -4 -2 27.52 -136.83 91.80 < 21 -4 -1 90.75 173.02 96.91 < 21 -4 0 31.43 -77.56 82.07 < 21 -4 1 92.06 144.23 79.52 < 21 -4 2 27.58 10.47 64.35 < 21 -4 3 80.53 78.74 76.41 < 21 -4 4 30.66 -13.95 96.43 < 21 -3 -3 15.40 150.30 113.37 < 21 -3 -2 306.19 252.43 124.59 < 21 -3 -1 14.81 -1.44 68.97 < 21 -3 0 5408.69 4822.88 278.12 o 21 -3 1 15.11 7.07 77.52 < 21 -3 2 308.49 252.47 133.51 < 21 -3 3 15.42 44.59 154.04 < 21 -2 -1 70.75 2.37 126.62 < 21 -2 0 33.85 -0.30 129.88 < 21 -2 1 72.63 2.33 109.45 < 22 -17 -2 4280.57 3952.78 330.16 o 22 -17 -1 2.41 -127.10 88.32 < 22 -17 0 1836.20 1645.07 167.19 o 22 -17 1 2.35 -62.83 90.88 < 22 -17 2 4304.02 3322.37 269.65 o 22 -16 -3 99.40 -28.71 82.77 < 22 -16 -2 27.92 60.61 77.22 < 22 -16 -1 68.60 -3.33 65.79 < 22 -16 0 36.38 42.03 50.73 < 22 -16 1 68.02 33.89 50.91 < 22 -16 2 27.61 -5.77 70.78 < 22 -16 3 99.63 54.65 89.29 < 22 -15 -4 44.89 -291.54 140.75 < 22 -15 -3 79.95 97.06 75.67 < 22 -15 -2 28.54 -24.61 59.46 < 22 -15 -1 61.17 -0.11 80.92 < 22 -15 0 44.52 -42.77 51.06 < 22 -15 1 61.64 90.03 56.87 < 22 -15 2 28.45 56.95 72.86 < 22 -15 3 81.23 123.10 96.13 < 22 -15 4 44.64 11.51 161.14 < 22 -14 -4 1367.95 1214.49 144.11 o 22 -14 -3 4.93 12.47 75.82 < 22 -14 -2 4450.47 4133.66 234.48 o 22 -14 -1 2.00 13.43 62.09 < 22 -14 0 1360.63 1172.42 98.85 o 22 -14 1 1.84 -64.60 61.87 < 22 -14 2 4455.59 4102.96 237.40 o 22 -14 3 4.79 -8.07 63.01 < 22 -14 4 1355.99 1531.66 201.78 o 22 -13 -5 61.96 11.54 101.31 < 22 -13 -4 32.60 77.74 74.22 < 22 -13 -3 120.01 107.05 67.75 < 22 -13 -2 35.70 -90.99 74.74 < 22 -13 -1 84.37 89.88 63.79 < 22 -13 0 36.59 -77.52 78.37 < 22 -13 1 85.00 23.94 71.49 < 22 -13 2 36.27 29.49 52.88 < 22 -13 3 119.21 104.42 68.79 < 22 -13 4 33.64 -71.15 64.27 < 22 -13 5 62.12 188.97 118.96 < 22 -12 -5 62.14 124.77 85.10 < 22 -12 -4 42.38 -53.65 61.64 < 22 -12 -3 105.75 66.31 83.14 < 22 -12 -2 31.87 -38.93 60.46 < 22 -12 -1 70.40 133.98 77.07 < 22 -12 0 41.75 41.52 70.78 < 22 -12 1 70.67 138.20 69.23 < 22 -12 2 31.68 55.32 58.57 < 22 -12 3 104.87 181.31 69.90 < 22 -12 4 42.43 13.58 67.12 < 22 -12 5 61.21 -45.70 121.88 < 22 -11 -5 2.05 -1.04 82.11 < 22 -11 -4 1648.71 1450.06 121.46 o 22 -11 -3 3.27 42.96 70.86 < 22 -11 -2 4208.15 4115.57 235.43 o 22 -11 -1 3.03 -17.43 73.89 < 22 -11 0 1668.15 1894.61 147.12 o 22 -11 1 3.18 -85.07 79.52 < 22 -11 2 4193.33 4458.14 248.54 o 22 -11 3 3.20 4.88 72.82 < 22 -11 4 1645.20 1573.02 122.74 o 22 -11 5 2.22 47.84 131.65 < 22 -10 -5 62.05 134.20 115.15 < 22 -10 -4 28.02 -28.71 76.44 < 22 -10 -3 81.73 149.97 75.34 < 22 -10 -2 34.94 12.58 86.40 < 22 -10 -1 75.64 118.96 63.79 < 22 -10 0 22.31 -7.47 66.75 < 22 -10 1 74.50 156.70 71.34 < 22 -10 2 34.63 141.75 77.41 < 22 -10 3 84.24 239.70 82.11 < 22 -10 4 27.60 -82.77 97.09 < 22 -10 5 62.16 219.05 122.07 < 22 -9 -5 73.06 -7.92 85.40 < 22 -9 -4 46.87 54.65 83.77 < 22 -9 -3 92.04 26.01 75.00 < 22 -9 -2 31.40 -152.89 65.42 < 22 -9 -1 79.56 -7.03 68.71 < 22 -9 0 43.16 86.81 86.40 < 22 -9 1 78.94 96.28 81.22 < 22 -9 2 31.53 19.06 74.04 < 22 -9 3 94.39 12.58 81.11 < 22 -9 4 46.93 -10.92 65.90 < 22 -9 5 74.27 235.07 124.36 < 22 -8 -4 1839.22 1838.45 203.58 o 22 -8 -3 4.52 40.59 75.93 < 22 -8 -2 3710.57 3336.29 203.27 o 22 -8 -1 7.45 27.16 83.84 < 22 -8 0 1889.58 1956.22 140.61 o 22 -8 1 6.92 6.14 86.14 < 22 -8 2 3697.42 3614.22 210.13 o 22 -8 3 4.88 36.15 73.63 < 22 -8 4 1851.72 1950.03 206.96 o 22 -7 -4 22.85 129.50 181.90 < 22 -7 -3 84.63 -25.38 68.79 < 22 -7 -2 32.42 69.23 99.46 < 22 -7 -1 72.10 84.77 76.08 < 22 -7 0 18.42 50.28 71.04 < 22 -7 1 71.30 -29.12 77.04 < 22 -7 2 32.40 36.00 67.71 < 22 -7 3 85.51 -1.55 89.84 < 22 -7 4 22.73 36.71 118.66 < 22 -6 -3 111.34 -24.64 113.04 < 22 -6 -2 24.57 112.37 106.97 < 22 -6 -1 75.15 71.26 76.93 < 22 -6 0 36.85 19.72 69.34 < 22 -6 1 74.70 142.09 77.70 < 22 -6 2 24.32 -126.47 101.98 < 22 -6 3 112.29 212.46 123.55 < 22 -5 -2 4568.71 4466.54 399.36 o 22 -5 -1 11.35 6.22 125.43 < 22 -5 0 1838.94 1639.81 241.24 o 22 -5 1 11.66 126.32 150.26 < 22 -5 2 4586.58 4295.57 364.96 o 23 -14 -1 96.86 57.09 95.39 < 23 -14 0 33.66 -105.68 94.61 < 23 -14 1 95.73 7.03 119.44 < 23 -13 -2 4581.34 3555.64 290.95 o 23 -13 -1 10.09 104.05 107.30 < 23 -13 0 1851.69 1930.76 221.08 o 23 -13 1 10.25 -98.20 125.62 < 23 -13 2 4592.64 4944.87 407.96 o 23 -12 -2 30.83 64.97 113.56 < 23 -12 -1 76.90 -3.37 112.41 < 23 -12 0 38.38 1.70 124.25 < 23 -12 1 77.43 272.41 173.58 < 23 -12 2 31.02 13.91 108.04 < 23 -11 -2 44.31 -76.48 134.65 < 23 -11 -1 66.19 260.05 167.21 < 23 -11 0 22.02 -177.90 122.55 < 23 -11 1 67.05 170.36 130.54 < 23 -11 2 44.53 -49.69 109.86 < 23 -10 -2 2684.92 2653.56 289.16 o 23 -10 -1 9.15 -3.55 132.32 < 23 -10 0 1766.68 1858.54 220.40 o 23 -10 1 8.82 28.05 132.10 < 23 -10 2 2665.34 3054.66 282.05 o 23 -9 -1 80.88 124.10 142.31 < 23 -9 0 35.74 200.55 138.64 < 23 -9 1 79.92 -13.25 134.61 < data_Io _database_code_depnum_ccdc_archive 'CCDC 872716' #TrackingRef '- nasmf4_ambient_pressure.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'F6 Na1.5 Sm1.5' _chemical_formula_weight 374 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -6' _symmetry_space_group_name_Hall 'P -6' _symmetry_Int_Tables_number 174 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 x,y,-z 5 -y,x-y,-z 6 -x+y,-x,-z _cell_length_a 6.071(2) _cell_length_b 6.071(2) _cell_length_c 3.660(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 116.82(8) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.3145 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 164 _exptl_absorpt_coefficient_mu 4.006 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type Cylindrical _exptl_absorpt_process_details 'Jana2006 (Petricek, Dusek & Palatinus, 2000)' _exptl_absorpt_correction_T_min 0.7606 _exptl_absorpt_correction_T_max 0.8853 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type ? _diffrn_radiation_source ? _diffrn_radiation_wavelength 0.3978 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 2591 _diffrn_reflns_theta_min 3.12 _diffrn_reflns_theta_max 25.87 _diffrn_reflns_theta_full 25.87 _diffrn_measured_fraction_theta_max 0.84 _diffrn_measured_fraction_theta_full 0.84 _diffrn_reflns_av_R_equivalents 0.048 _diffrn_reflns_av_sigmaI/netI 0.0155 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -7 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe X-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 724 _reflns_number_gt 724 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0474 _refine_ls_wR_factor_gt 0.0623 _refine_ls_R_factor_all 0.0474 _refine_ls_wR_factor_all ? _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_gt 4.42 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 724 _refine_ls_number_parameters 21 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0416 _refine_ls_shift/su_mean 0.0030 _refine_diff_density_max 9.09 _refine_diff_density_min -8.11 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 3700(1200) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source F 0.0031 0.0029 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Na 0.0087 0.0073 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Sm -0.9408 1.2589 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Sm1 Sm 0 0 0 Uani 0.00869(11) 1 1 d . . . Na1 Na 0.333333 0.666667 0.637(8) Uani 0.047(7) 2 0.5 d . . . Na2 Na 0.666667 0.333333 0.5 Uani 0.0087(2) 1 0.5 d . . . Sm2 Sm 0.666667 0.333333 0.5 Uani 0.0087(2) 1 0.5 d . . . F1 F 0.6374(17) 0.0458(19) 0 Uani 0.024(2) 3 1 d . . . F2 F 0.7354(11) 0.7569(11) 0.5 Uani 0.0139(14) 3 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sm1 Sm 0.00888(14) 0.00888(14) 0.00831(16) 0.00444(7) 0 0 Na1 Na 0.012(3) 0.012(3) 0.12(2) 0.0059(16) 0 0 Na2 Na 0.0084(3) 0.0084(3) 0.0095(3) 0.00420(14) 0 0 Sm2 Sm 0.0084(3) 0.0084(3) 0.0095(3) 0.00420(14) 0 0 F1 F 0.012(2) 0.019(3) 0.045(4) 0.010(2) 0 0 F2 F 0.0139(19) 0.0137(18) 0.0138(13) 0.0066(16) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Sm1 F1 . 1_455 2.353(13) ? Sm1 F1 . 2_545 2.353(16) ? Sm1 F1 . 3_665 2.353(10) ? Sm1 F2 . 1_444 2.395(4) ? Sm1 F2 . 1_445 2.395(4) ? Sm1 F2 . 2_654 2.395(6) ? Sm1 F2 . 2_655 2.395(6) ? Sm1 F2 . 3_564 2.395(5) ? Sm1 F2 . 3_565 2.395(5) ? Na1 F1 . 1_566 2.495(17) ? Na1 F1 . 2_556 2.495(19) ? Na1 F1 . 3_666 2.49(2) ? Na1 F2 . . 2.274(9) ? Na1 F2 . 2_665 2.274(12) ? Na1 F2 . 3_565 2.274(9) ? Na2 F1 . . 2.473(8) ? Na2 F1 . 1_556 2.473(8) ? Na2 F1 . 2_655 2.473(6) ? Na2 F1 . 2_656 2.473(6) ? Na2 F1 . 3_665 2.473(11) ? Na2 F1 . 3_666 2.473(11) ? Na2 F2 . . 2.391(7) ? Na2 F2 . 2_655 2.391(6) ? Na2 F2 . 3_665 2.391(10) ? Sm2 F1 . . 2.473(8) ? Sm2 F1 . 1_556 2.473(8) ? Sm2 F1 . 2_655 2.473(6) ? Sm2 F1 . 2_656 2.473(6) ? Sm2 F1 . 3_665 2.473(11) ? Sm2 F1 . 3_666 2.473(11) ? Sm2 F2 . . 2.391(7) ? Sm2 F2 . 2_655 2.391(6) ? Sm2 F2 . 3_665 2.391(10) ? F1 F1 . 2_655 2.882(16) ? F1 F1 . 3_665 2.88(2) ? F1 F2 . 1_544 2.797(12) ? F1 F2 . 1_545 2.797(12) ? F1 F2 . 2_654 2.875(11) ? F1 F2 . 2_655 2.875(11) ? F1 F2 . 3_664 2.730(9) ? F1 F2 . 3_665 2.730(9) ? F2 F2 . 2_765 2.676(9) ? F2 F2 . 3_675 2.676(8) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status -3 5 0 387.65 369.61 8.13 o -6 6 0 1342.27 2023.57 41.84 o -4 6 0 181.19 202.24 5.02 o -7 7 0 258.83 235.66 5.36 o -5 7 0 1180.94 1284.22 27.17 o -8 8 0 231.92 227.73 3.94 o -7 8 0 1198.99 1814.29 37.86 o -6 8 0 195.75 264.22 4.57 o -9 9 0 428.38 396.97 6.33 o -8 9 0 165.54 143.85 3.91 o -7 9 0 152.54 201.12 3.72 o -10 10 0 46.99 75.09 3.40 o -9 10 0 74.31 87.81 1.76 o -8 10 0 375.74 352.21 5.89 o -11 11 0 49.79 52.30 2.69 o -10 11 0 285.36 260.08 4.31 o -9 11 0 83.29 75.10 1.71 o -8 11 0 59.12 106.36 4.57 o -10 12 0 47.30 40.70 1.36 o -9 12 0 188.42 151.54 4.75 o -8 12 0 54.16 87.50 4.39 o 0 0 1 254.59 211.98 3.53 o -1 1 1 2678.10 2805.17 25.39 o 0 1 1 2705.35 2899.17 23.98 o 1 1 1 775.99 841.78 8.90 o -3 2 1 2980.02 2829.33 40.62 o -2 2 1 4255.95 4427.25 51.70 o -1 2 1 829.52 815.72 8.61 o 0 2 1 4498.61 4771.68 96.44 o 1 2 1 3918.42 4143.88 84.14 o 2 2 1 179.22 150.12 2.60 o -5 3 1 2914.68 2747.99 39.85 o -4 3 1 2015.81 1834.99 26.58 o -3 3 1 239.38 208.99 2.57 o -2 3 1 3681.56 3851.71 39.07 o -1 3 1 2936.62 2871.13 41.20 o 0 3 1 244.16 354.83 8.04 o -6 4 1 1361.21 1306.78 27.44 o -5 4 1 87.84 64.82 1.36 o -4 4 1 1051.46 1049.34 12.86 o -3 4 1 1406.43 1353.97 14.13 o -2 4 1 169.99 146.10 2.53 o -1 4 1 1975.98 2040.98 29.64 o -6 5 1 1199.37 1103.00 16.23 o -5 5 1 1625.86 1654.62 20.01 o -4 5 1 80.50 66.13 1.19 o -3 5 1 1777.06 1663.65 24.17 o -2 5 1 2857.64 2892.18 41.89 o -7 6 1 1060.66 928.61 13.80 o -6 6 1 109.42 104.13 1.99 o -5 6 1 1568.84 1513.42 15.86 o -4 6 1 1340.81 1278.43 18.81 o -3 6 1 143.95 125.09 2.15 o -8 7 1 49.83 54.65 1.68 o -7 7 1 576.08 566.98 7.50 o -6 7 1 724.43 652.03 7.23 o -5 7 1 124.00 105.16 2.10 o -4 7 1 1021.79 900.10 13.36 o -12 8 1 147.71 191.41 6.56 o -11 8 1 158.65 223.71 6.81 o -10 8 1 40.95 58.88 3.28 o -9 8 1 415.92 633.62 14.67 o -8 8 1 390.28 377.86 5.36 o -7 8 1 46.07 39.70 1.02 o -6 8 1 630.51 579.31 7.35 o -5 8 1 860.55 763.94 11.45 o -12 9 1 6.32 13.64 3.03 o -11 9 1 166.63 225.73 7.23 o -10 9 1 318.53 387.83 7.46 o -9 9 1 22.55 27.67 0.83 o -8 9 1 329.23 322.98 4.00 o -7 9 1 428.44 429.18 5.04 o -6 9 1 51.74 49.45 1.17 o -5 9 1 490.98 745.45 17.16 o -12 10 1 126.33 116.73 4.24 o -11 10 1 11.55 10.28 1.64 o -10 10 1 215.06 203.47 3.52 o -9 10 1 265.83 246.53 3.29 o -8 10 1 30.44 29.17 0.96 o -7 10 1 378.62 389.42 4.20 o -6 10 1 388.15 617.28 15.02 o -5 10 1 44.36 61.40 3.52 o -11 11 1 127.46 94.76 3.14 o -10 11 1 22.73 21.09 0.86 o -9 11 1 235.63 218.42 3.12 o -8 11 1 227.86 204.72 3.51 o -7 11 1 22.53 19.35 1.77 o -6 11 1 212.95 336.54 9.87 o -5 11 1 275.18 417.15 11.33 o -10 12 1 114.87 95.80 1.62 o -9 12 1 10.90 13.64 1.43 o -8 12 1 134.27 119.49 3.38 o -7 12 1 123.43 190.20 7.02 o -6 12 1 11.50 17.94 2.82 o -5 12 1 175.11 253.52 8.29 o -8 13 1 7.16 18.22 3.81 o 0 0 2 5984.28 6020.75 86.16 o -1 1 2 1429.88 1467.13 12.54 o 0 1 2 1439.39 1442.91 12.33 o 1 1 2 2453.58 2206.86 18.58 o -3 2 2 377.37 356.74 4.28 o -2 2 2 1088.81 1086.69 9.47 o -1 2 2 2449.45 2304.53 19.38 o 0 2 2 1073.52 1089.01 9.48 o 1 2 2 1310.55 1339.77 11.56 o 2 2 2 1945.88 1841.06 19.21 o -5 3 2 853.90 850.31 9.37 o -4 3 2 630.79 608.46 6.80 o -3 3 2 3252.70 3097.62 31.69 o -2 3 2 1284.02 1333.91 14.02 o -1 3 2 359.14 364.39 4.37 o 0 3 2 3260.45 3264.63 29.97 o 1 3 2 1000.28 1017.59 11.10 o 2 3 2 425.31 416.18 5.06 o 3 3 2 1281.28 1303.81 16.39 o -7 4 2 434.79 575.03 6.81 o -6 4 2 355.54 352.84 4.38 o -5 4 2 1625.62 1504.83 15.84 o -4 4 2 971.15 969.32 10.42 o -3 4 2 1014.95 1007.16 10.74 o -2 4 2 1932.43 1795.32 18.64 o -1 4 2 626.09 628.09 7.05 o 0 4 2 980.92 1009.30 11.06 o 1 4 2 2025.29 2524.72 37.81 o 2 4 2 243.85 334.75 8.67 o 3 4 2 401.12 605.17 14.11 o 4 4 2 986.15 1400.24 30.11 o -9 5 2 154.52 217.03 6.48 o -8 5 2 322.90 421.27 5.21 o -7 5 2 1059.78 997.36 10.86 o -6 5 2 195.16 166.83 2.41 o -5 5 2 666.17 639.22 7.15 o -4 5 2 2023.17 1949.96 20.27 o -3 5 2 430.55 402.21 4.75 o -2 5 2 871.82 858.48 9.36 o -1 5 2 1622.68 1578.30 16.69 o 0 5 2 657.33 1054.12 16.25 o 1 5 2 482.32 708.71 16.32 o 2 5 2 819.12 1153.47 25.29 o 3 5 2 278.36 453.26 11.35 o 4 5 2 130.96 213.09 6.49 o 5 5 2 366.15 559.46 13.51 o -11 6 2 67.73 107.12 4.83 o -10 6 2 155.10 215.27 5.20 o -9 6 2 479.72 613.96 10.76 o -8 6 2 266.80 258.24 3.43 o -7 6 2 295.40 273.54 3.50 o -6 6 2 928.06 842.78 9.18 o -5 6 2 473.95 467.12 5.42 o -4 6 2 239.63 215.38 2.85 o -3 6 2 1285.01 1172.60 12.50 o -2 6 2 350.56 362.51 4.46 o -1 6 2 187.96 290.99 5.32 o 0 6 2 922.35 1372.25 29.84 o 1 6 2 239.01 366.39 9.62 o 2 6 2 206.72 301.80 8.11 o 3 6 2 430.49 645.80 15.12 o 4 6 2 137.32 219.04 6.81 o 5 6 2 107.82 173.13 5.89 o 6 6 2 198.04 236.91 7.73 o -12 7 2 39.83 43.89 2.69 o -11 7 2 267.44 365.38 7.48 o -10 7 2 113.62 123.45 3.51 o -9 7 2 79.26 84.83 2.08 o -8 7 2 559.03 534.75 6.19 o -7 7 2 256.58 245.94 3.24 o -6 7 2 244.22 238.65 3.13 o -5 7 2 812.68 762.88 8.40 o -4 7 2 394.00 389.15 4.64 o -3 7 2 445.31 435.09 5.14 o -2 7 2 1044.99 1642.98 24.55 o -1 7 2 287.32 458.00 11.53 o 0 7 2 260.11 410.17 10.45 o 1 7 2 846.94 1309.27 28.62 o 2 7 2 154.40 240.27 6.98 o 3 7 2 104.75 153.73 5.31 o 4 7 2 328.52 491.57 12.40 o 5 7 2 76.81 97.38 4.49 o -12 8 2 71.35 63.95 2.92 o -11 8 2 99.86 101.57 3.24 o -10 8 2 355.84 356.76 6.88 o -9 8 2 124.67 122.11 2.05 o -8 8 2 220.44 212.87 2.94 o -7 8 2 847.93 815.33 9.00 o -6 8 2 202.70 200.52 2.78 o -5 8 2 279.41 281.21 3.59 o -4 8 2 985.98 950.50 10.31 o -3 8 2 319.30 507.20 8.41 o -2 8 2 269.18 426.18 10.86 o -1 8 2 555.48 861.11 19.86 o 0 8 2 219.43 330.29 9.11 o 1 8 2 161.37 244.21 7.58 o 2 8 2 282.13 406.64 10.61 o 3 8 2 62.91 88.24 4.42 o 4 8 2 56.66 72.42 4.51 o -12 9 2 197.01 149.51 4.53 o -11 9 2 74.71 72.43 3.18 o -10 9 2 104.55 101.04 2.30 o -9 9 2 322.75 302.16 3.94 o -8 9 2 160.93 152.75 2.40 o -7 9 2 156.46 149.73 2.34 o -6 9 2 433.76 409.60 4.87 o -5 9 2 132.41 126.51 2.06 o -4 9 2 153.32 162.42 4.05 o -3 9 2 483.62 733.09 17.67 o -2 9 2 81.43 127.58 5.11 o -1 9 2 127.36 196.42 6.66 o 0 9 2 325.01 479.39 12.87 o 1 9 2 76.05 122.94 5.37 o 2 9 2 84.97 125.96 5.12 o 3 9 2 149.49 159.20 6.21 o -12 10 2 36.94 27.75 4.20 o -11 10 2 162.68 130.85 3.76 o -10 10 2 49.67 42.92 1.37 o -9 10 2 77.00 73.43 1.59 o -8 10 2 283.61 266.16 3.59 o -7 10 2 105.09 106.14 1.91 o -6 10 2 143.44 139.80 2.73 o -5 10 2 366.15 343.20 6.70 o -4 10 2 151.56 224.62 7.63 o -3 10 2 117.56 170.39 6.39 o -2 10 2 357.50 517.45 13.62 o -1 10 2 101.56 149.76 6.25 o 0 10 2 48.69 73.27 4.39 o 1 10 2 215.28 278.79 9.05 o -11 11 2 50.99 34.39 1.81 o -10 11 2 215.15 183.82 2.93 o -9 11 2 80.86 78.68 1.80 o -8 11 2 61.92 57.67 1.52 o -7 11 2 328.32 316.89 4.81 o -6 11 2 103.87 114.65 3.39 o -5 11 2 66.48 73.24 2.99 o -4 11 2 263.36 424.55 12.00 o -3 11 2 97.53 161.33 6.58 o -2 11 2 75.37 117.69 5.53 o -1 11 2 158.78 204.97 7.44 o -10 12 2 47.93 29.11 3.41 o -9 12 2 147.30 114.78 2.16 o -8 12 2 56.53 50.17 2.56 o -7 12 2 77.59 80.23 2.84 o -6 12 2 198.30 195.73 4.73 o -5 12 2 40.31 34.80 2.38 o -4 12 2 71.92 102.30 5.34 o -3 12 2 198.72 233.33 8.75 o 0 0 3 153.16 160.34 3.46 o -1 1 3 1563.43 1436.29 12.46 o 0 1 3 1551.54 1452.31 12.59 o 1 1 3 305.80 309.84 3.27 o -3 2 3 1530.80 1460.50 12.70 o -2 2 3 2055.68 1943.81 16.63 o -1 2 3 325.85 308.32 3.25 o 0 2 3 2069.27 2006.19 17.12 o 1 2 3 1810.55 1808.27 15.53 o 2 2 3 172.58 167.36 2.41 o -5 3 3 1470.58 1446.25 15.45 o -4 3 3 1131.42 1044.53 11.36 o -3 3 3 172.55 162.51 2.46 o -2 3 3 1823.89 1690.96 15.90 o -1 3 3 1533.54 1463.61 12.72 o 0 3 3 175.01 167.96 2.11 o 1 3 3 892.07 855.64 7.82 o 2 3 3 1011.22 951.95 10.59 o 3 3 3 127.92 113.82 2.05 o -7 4 3 460.03 422.25 5.22 o -6 4 3 799.28 777.53 8.74 o -5 4 3 103.29 92.35 1.71 o -4 4 3 724.33 673.77 7.60 o -3 4 3 888.22 811.72 9.00 o -2 4 3 169.15 159.65 2.42 o -1 4 3 1143.31 1101.70 10.82 o 0 4 3 716.84 696.67 7.18 o 1 4 3 82.51 84.36 1.76 o 2 4 3 812.60 821.21 10.95 o 3 4 3 623.30 634.93 8.84 o 4 4 3 36.62 41.70 1.29 o -9 5 3 299.61 303.13 6.11 o -8 5 3 345.38 333.02 4.30 o -7 5 3 76.24 73.71 1.57 o -6 5 3 729.28 685.95 7.79 o -5 5 3 899.34 880.32 9.68 o -4 5 3 84.91 76.75 1.51 o -3 5 3 1012.10 948.55 10.35 o -2 5 3 1451.78 1398.65 14.91 o -1 5 3 102.07 96.95 1.79 o 0 5 3 905.49 894.25 9.98 o 1 5 3 883.31 879.95 14.16 o 2 5 3 94.30 89.55 3.01 o 3 5 3 519.05 521.68 9.24 o 4 5 3 326.41 345.39 6.82 o 5 5 3 36.77 37.45 2.08 o -11 6 3 186.40 179.04 4.47 o -10 6 3 310.71 313.80 6.41 o -9 6 3 34.54 31.87 1.17 o -8 6 3 492.42 489.14 5.85 o -7 6 3 638.70 632.07 7.28 o -6 6 3 95.02 88.17 1.70 o -5 6 3 892.42 836.76 9.22 o -4 6 3 804.11 762.32 8.50 o -3 6 3 123.24 112.62 1.93 o -2 6 3 797.37 788.84 8.82 o -1 6 3 726.88 716.20 8.15 o 0 6 3 99.91 91.62 2.76 o 1 6 3 469.79 444.97 8.08 o 2 6 3 412.14 420.30 7.96 o 3 6 3 50.70 51.42 2.45 o 4 6 3 266.40 289.13 6.28 o 5 6 3 155.62 155.00 4.19 o 6 6 3 12.45 14.12 2.02 o -12 7 3 124.83 100.10 4.12 o -11 7 3 18.53 20.06 1.95 o -10 7 3 233.53 233.54 4.17 o -9 7 3 294.05 292.04 3.95 o -8 7 3 46.28 43.80 1.34 o -7 7 3 383.21 370.37 4.67 o -6 7 3 472.05 443.10 5.35 o -5 7 3 100.64 92.00 1.73 o -4 7 3 629.40 595.95 6.84 o -3 7 3 457.68 443.45 5.33 o -2 7 3 78.68 73.02 1.57 o -1 7 3 650.15 623.13 10.61 o 0 7 3 383.81 380.23 7.01 o 1 7 3 36.32 39.69 2.07 o 2 7 3 293.30 297.40 6.21 o 3 7 3 252.25 263.71 5.67 o 4 7 3 19.19 17.15 1.88 o 5 7 3 94.15 77.96 3.32 o -12 8 3 107.26 92.49 6.25 o -11 8 3 117.79 106.79 3.33 o -10 8 3 32.79 27.14 1.19 o -9 8 3 281.36 263.73 3.71 o -8 8 3 259.77 247.90 3.52 o -7 8 3 36.36 33.41 1.14 o -6 8 3 415.61 387.40 4.81 o -5 8 3 517.25 534.27 6.40 o -4 8 3 36.00 36.07 1.12 o -3 8 3 347.98 336.20 4.30 o -2 8 3 488.92 497.76 8.71 o -1 8 3 43.59 42.68 2.52 o 0 8 3 261.60 269.66 6.08 o 1 8 3 222.79 242.15 5.69 o 2 8 3 25.12 27.65 2.34 o 3 8 3 158.50 150.73 4.38 o 4 8 3 97.99 93.60 6.47 o -11 9 3 121.72 102.26 2.72 o -10 9 3 213.49 199.00 3.11 o -9 9 3 22.08 21.37 1.12 o -8 9 3 226.38 216.40 3.21 o -7 9 3 287.27 285.21 3.87 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