# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2010 data_global _journal_coden_Cambridge 182 _journal_volume ? _journal_page_first ? _journal_year ? loop_ _publ_author_name _publ_author_address 'Finke, Aaron' ; University of Illinois School of Chemical Sciences, Box 77-5 600 South Mathews Avenue Urbana, Illinois 61801 USA ; 'Moore, Jeffrey' ; University of Illinois School of Chemical Sciences, Box 59-1 505 South Mathews Avenue Urbana, Illinois 61801 USA ; _publ_contact_author_name 'Moore, Jeffrey' _publ_contact_author_email jsmoore@uiuc.edu _publ_section_title ; Lewis Acid Activation of Molybdenum Nitrides for Alkyne Metathesis ; _publ_contact_author ; Jeffrey S. Moore University of Illinois School of Chemical Sciences, Box 55-5 600 South Mathews Avenue Urbana, Illinois 61801 USA ; _publ_contact_author_fax '1 217 244-0181' _publ_contact_author_phone '1 217 244 5289' _publ_contact_letter ; Please consider this CIF submission for publication as a structural paper in Acta Crystallographica E. ; _publ_requested_coeditor_name ? _publ_requested_journal 'Acta Crystallographica E' # Attachment '- 2-b_3-b.cif' data_b80ks _database_code_depnum_ccdc_archive 'CCDC 788129' #TrackingRef '- 2-b_3-b.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C30 H36 B F15 Mo N2 O2 Si4' _chemical_formula_sum 'C30 H36 B F15 Mo N2 O2 Si4' _chemical_formula_weight 960.72 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n _symmetry_space_group_name_Hall ' -P 2yn' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 14.367(5) _cell_length_b 17.170(6) _cell_length_c 16.896(6) _cell_angle_alpha 90.00 _cell_angle_beta 92.256(9) _cell_angle_gamma 90.00 _cell_volume 4165(2) _cell_formula_units_Z 4 _cell_measurement_temperature 193(2) _cell_measurement_reflns_used 926 _cell_measurement_theta_min 2.24 _cell_measurement_theta_max 25.21 _exptl_crystal_description prism _exptl_crystal_colour colourless _exptl_crystal_size_max 0.36 _exptl_crystal_size_mid 0.32 _exptl_crystal_size_min 0.23 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.532 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1936 _exptl_absorpt_coefficient_mu 0.527 _exptl_absorpt_correction_type integration _exptl_absorpt_correction_T_min 0.7739 _exptl_absorpt_correction_T_max 0.9180 _exptl_absorpt_process_details 'SHELXTL/XPREP (Bruker, 2001)' _exptl_crystal_preparation ; The data crystal was mounted using oil (Parantone-N, Exxon) to a 0.3 mm cryo-loop (Hampton Research) with the (??) scattering planes roughly normal to the spindle axis. ; _exptl_special_details ; One distinct cell was dentified using SMART/APEX2 (Bruker, 2001/4) and Cell_Now (Sheldrick, 2004). Four frame series were integrated and filtered for statistical outliers using SAINT (Bruker, 2005) then corrected for absorption by integration using SHELXTL/XPREP V2005/2 (Bruker, 2005) before using SAINT/SADABS (Bruker, 2005) to sort, merge, and scale the combined data. No decay correction was applied. ; _diffrn_ambient_temperature 193(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 30459 _diffrn_reflns_av_R_equivalents 0.0797 _diffrn_reflns_av_sigmaI/netI 0.0773 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.69 _diffrn_reflns_theta_max 25.33 _reflns_number_total 7582 _reflns_number_gt 5680 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 V2.0-1 (Bruker, 2004)' _computing_cell_refinement 'SAINT V7.23A (Bruker, 2005)' _computing_data_reduction 'SAINT V7.23A, XPREP V2005/2, SADABS V2007/4 (Bruker, 2005 & 2007)' _computing_structure_solution 'SHELXTL V6.12 (Bruker, 2005)' _computing_structure_refinement 'SHELXTL V6.12 (Bruker, 2005)' _computing_molecular_graphics 'SHELXTL V6.12 (Bruker, 2005)' _computing_publication_material 'XCIF V6.12 (Bruker, 2005)' _refine_special_details ; Structure was phased by direct methods. Systematic conditions suggested the unambiguous space group P2(1)/n. The space group choice was confirmed by successful convergence of the full-matrix least-squares refinement on F^2^. The highest peaks in the final difference Fourier map were in the vicinity of atoms Mo1; the final map had no other significant features. A final analysis of variance between observed and calculated structure factors showed some dependence on amplitude. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0778P)^2^+4.5960P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7582 _refine_ls_number_parameters 610 _refine_ls_number_restraints 1812 _refine_ls_R_factor_all 0.0767 _refine_ls_R_factor_gt 0.0541 _refine_ls_wR_factor_ref 0.1559 _refine_ls_wR_factor_gt 0.1340 _refine_ls_goodness_of_fit_ref 1.032 _refine_ls_restrained_S_all 0.975 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Mo1 Mo 0.70857(2) 0.727064(19) -0.070244(19) 0.02769(13) Uani 1 1 d . . . Si1 Si 0.58868(9) 0.74274(7) -0.25344(7) 0.0390(3) Uani 1 1 d . . . Si2 Si 0.86356(8) 0.86913(7) 0.00407(8) 0.0420(3) Uani 1 1 d . . . Si3 Si 0.86109(8) 0.62327(7) -0.14083(8) 0.0426(3) Uani 1 1 d . . . Si4 Si 0.75505(8) 0.55103(7) 0.00037(7) 0.0403(3) Uani 1 1 d . . . N1 N 0.6263(2) 0.72271(17) -0.00105(18) 0.0278(7) Uani 1 1 d . A . N2 N 0.7712(2) 0.62868(19) -0.06898(19) 0.0328(7) Uani 1 1 d . . . O1 O 0.65008(19) 0.74229(17) -0.16775(16) 0.0372(7) Uani 1 1 d . . . O2 O 0.78814(17) 0.80651(16) -0.03998(16) 0.0370(6) Uani 1 1 d . . . B1 B 0.5462(3) 0.75114(19) 0.0539(2) 0.0316(10) Uani 1 1 d D . . C1 C 0.6619(4) 0.7936(4) -0.3249(3) 0.0781(18) Uani 1 1 d . . . H1A H 0.6802 0.8446 -0.3036 0.117 Uiso 1 1 calc R . . H1B H 0.6264 0.8005 -0.3752 0.117 Uiso 1 1 calc R . . H1C H 0.7177 0.7625 -0.3338 0.117 Uiso 1 1 calc R . . C2 C 0.4787(4) 0.7968(4) -0.2414(3) 0.0750(18) Uani 1 1 d . . . H2A H 0.4928 0.8500 -0.2238 0.113 Uiso 1 1 calc R . . H2B H 0.4417 0.7706 -0.2018 0.113 Uiso 1 1 calc R . . H2C H 0.4433 0.7984 -0.2921 0.113 Uiso 1 1 calc R . . C3 C 0.5701(5) 0.6396(3) -0.2803(4) 0.0808(19) Uani 1 1 d . . . H3A H 0.6290 0.6111 -0.2730 0.121 Uiso 1 1 calc R . . H3B H 0.5480 0.6360 -0.3358 0.121 Uiso 1 1 calc R . . H3C H 0.5236 0.6168 -0.2462 0.121 Uiso 1 1 calc R . . C4 C 0.9809(3) 0.8255(4) -0.0036(4) 0.0732(17) Uani 1 1 d . . . H4A H 0.9825 0.7748 0.0230 0.110 Uiso 1 1 calc R . . H4B H 1.0275 0.8600 0.0217 0.110 Uiso 1 1 calc R . . H4C H 0.9945 0.8186 -0.0595 0.110 Uiso 1 1 calc R . . C5 C 0.8543(4) 0.9617(3) -0.0505(4) 0.0700(16) Uani 1 1 d . . . H5A H 0.7980 0.9893 -0.0356 0.105 Uiso 1 1 calc R . . H5B H 0.8510 0.9511 -0.1075 0.105 Uiso 1 1 calc R . . H5C H 0.9092 0.9939 -0.0375 0.105 Uiso 1 1 calc R . . C6 C 0.8342(3) 0.8804(3) 0.1087(3) 0.0584(13) Uani 1 1 d . . . H6A H 0.7679 0.8932 0.1117 0.088 Uiso 1 1 calc R . . H6B H 0.8718 0.9223 0.1329 0.088 Uiso 1 1 calc R . . H6C H 0.8471 0.8316 0.1371 0.088 Uiso 1 1 calc R . . C7 C 0.8298(4) 0.5490(3) -0.2176(3) 0.0668(15) Uani 1 1 d . . . H7A H 0.8422 0.4968 -0.1961 0.100 Uiso 1 1 calc R . . H7B H 0.8672 0.5574 -0.2641 0.100 Uiso 1 1 calc R . . H7C H 0.7636 0.5537 -0.2329 0.100 Uiso 1 1 calc R . . C8 C 0.9751(3) 0.6019(3) -0.0890(3) 0.0578(13) Uani 1 1 d . . . H8A H 0.9765 0.5472 -0.0722 0.087 Uiso 1 1 calc R . . H8B H 0.9831 0.6356 -0.0425 0.087 Uiso 1 1 calc R . . H8C H 1.0256 0.6114 -0.1251 0.087 Uiso 1 1 calc R . . C9 C 0.8721(4) 0.7194(3) -0.1908(3) 0.0572(13) Uani 1 1 d . . . H9A H 0.8157 0.7298 -0.2236 0.086 Uiso 1 1 calc R . . H9B H 0.9262 0.7186 -0.2244 0.086 Uiso 1 1 calc R . . H9C H 0.8803 0.7604 -0.1508 0.086 Uiso 1 1 calc R . . C10 C 0.6295(3) 0.5335(3) 0.0150(3) 0.0592(14) Uani 1 1 d . . . H10A H 0.6005 0.5817 0.0332 0.089 Uiso 1 1 calc R . . H10B H 0.6226 0.4927 0.0549 0.089 Uiso 1 1 calc R . . H10C H 0.5992 0.5171 -0.0351 0.089 Uiso 1 1 calc R . . C11 C 0.8013(3) 0.4573(3) -0.0378(3) 0.0551(13) Uani 1 1 d . . . H11A H 0.8658 0.4647 -0.0532 0.083 Uiso 1 1 calc R . . H11B H 0.7631 0.4405 -0.0840 0.083 Uiso 1 1 calc R . . H11C H 0.7994 0.4175 0.0037 0.083 Uiso 1 1 calc R . . C12 C 0.82215(8) 0.57685(7) 0.09301(6) 0.0623(14) Uani 1 1 d . . . H12A H 0.8076 0.6305 0.1080 0.093 Uiso 1 1 calc R . . H12B H 0.8890 0.5724 0.0843 0.093 Uiso 1 1 calc R . . H12C H 0.8052 0.5413 0.1355 0.093 Uiso 1 1 calc R . . C13A C 0.55735(5) 0.69571(5) 0.13751(4) 0.0354(16) Uani 0.526(5) 1 d PRDU A 1 C14A C 0.64454(5) 0.69946(5) 0.17601(4) 0.0420(16) Uani 0.526(5) 1 d PRDU A 1 C15A C 0.66303(7) 0.65539(5) 0.24383(5) 0.0418(16) Uani 0.526(5) 1 d PRDU A 1 C16A C 0.59433(8) 0.60758(5) 0.27315(5) 0.0441(17) Uani 0.526(5) 1 d PRDU A 1 C17A C 0.50715(8) 0.60384(5) 0.23465(5) 0.0430(16) Uani 0.526(5) 1 d PRDU A 1 C18A C 0.48866(7) 0.64790(5) 0.16683(5) 0.0360(15) Uani 0.526(5) 1 d PRDU A 1 F1A F 0.71407(5) 0.74123(4) 0.15203(5) 0.0474(18) Uani 0.526(5) 1 d PRDU A 1 F2A F 0.74656(7) 0.65822(5) 0.28314(5) 0.0589(18) Uani 0.526(5) 1 d PRDU A 1 F3A F 0.60763(10) 0.56646(5) 0.34062(5) 0.071(2) Uani 0.526(5) 1 d PRDU A 1 F4A F 0.43899(9) 0.55976(5) 0.26192(5) 0.072(2) Uani 0.526(5) 1 d PRDU A 1 F5A F 0.40251(7) 0.64561(5) 0.13351(5) 0.0444(15) Uani 0.526(5) 1 d PRDU A 1 C13B C 0.55207(5) 0.69259(5) 0.13418(4) 0.0350(17) Uani 0.474(5) 1 d PRDU A 2 C14B C 0.63313(5) 0.69077(5) 0.18185(4) 0.0329(16) Uani 0.474(5) 1 d PRDU A 2 C15B C 0.63836(7) 0.64329(5) 0.24851(5) 0.0405(17) Uani 0.474(5) 1 d PRDU A 2 C16B C 0.56253(9) 0.59763(5) 0.26749(5) 0.0441(18) Uani 0.474(5) 1 d PRDU A 2 C17B C 0.48147(8) 0.59945(5) 0.21982(5) 0.0483(18) Uani 0.474(5) 1 d PRDU A 2 C18B C 0.47625(6) 0.64693(5) 0.15316(5) 0.0428(17) Uani 0.474(5) 1 d PRDU A 2 F1B F 0.70346(5) 0.73758(4) 0.16565(5) 0.0415(19) Uani 0.474(5) 1 d PRDU A 2 F2B F 0.71990(7) 0.64040(5) 0.29020(5) 0.0544(18) Uani 0.474(5) 1 d PRDU A 2 F3B F 0.57216(10) 0.55264(5) 0.33304(5) 0.067(2) Uani 0.474(5) 1 d PRDU A 2 F4B F 0.41164(9) 0.55444(5) 0.24211(5) 0.067(2) Uani 0.474(5) 1 d PRDU A 2 F5B F 0.39743(7) 0.63686(5) 0.11208(5) 0.0463(17) Uani 0.474(5) 1 d PRDU A 2 C19A C 0.44168(5) 0.73947(4) 0.00005(5) 0.0352(19) Uani 0.355(4) 1 d PRDU A 1 C20A C 0.43155(5) 0.68812(4) -0.06331(4) 0.0435(19) Uani 0.355(4) 1 d PRDU A 1 C21A C 0.34562(5) 0.68016(4) -0.10322(4) 0.043(2) Uani 0.355(4) 1 d PRDU A 1 C22A C 0.26981(5) 0.72355(4) -0.07977(4) 0.040(2) Uani 0.355(4) 1 d PRDU A 1 C23A C 0.27994(5) 0.77490(4) -0.01641(4) 0.0373(19) Uani 0.355(4) 1 d PRDU A 1 C24A C 0.36587(5) 0.78285(4) 0.02350(4) 0.0322(18) Uani 0.355(4) 1 d PRDU A 1 F6A F 0.49468(5) 0.63650(4) -0.08185(4) 0.044(2) Uani 0.355(4) 1 d PRDU A 1 F7A F 0.33169(5) 0.62837(5) -0.16104(4) 0.062(3) Uani 0.355(4) 1 d PRDU A 1 F8A F 0.18549(5) 0.71798(5) -0.11803(4) 0.061(3) Uani 0.355(4) 1 d PRDU A 1 F9A F 0.20859(5) 0.81967(4) 0.00505(4) 0.056(2) Uani 0.355(4) 1 d PRDU A 1 F10A F 0.37136(5) 0.82700(4) 0.08799(4) 0.0335(18) Uani 0.355(4) 1 d PRDU A 1 C19B C 0.44009(5) 0.74480(4) 0.01006(5) 0.0332(13) Uani 0.645(4) 1 d PRDU A 2 C20B C 0.41974(5) 0.69999(4) -0.05693(4) 0.0361(13) Uani 0.645(4) 1 d PRDU A 2 C21B C 0.33012(5) 0.69993(4) -0.09106(4) 0.0418(14) Uani 0.645(4) 1 d PRDU A 2 C22B C 0.26085(5) 0.74467(4) -0.05821(4) 0.0404(15) Uani 0.645(4) 1 d PRDU A 2 C23B C 0.28120(5) 0.78948(4) 0.00878(4) 0.0393(14) Uani 0.645(4) 1 d PRDU A 2 C24B C 0.37082(5) 0.78954(4) 0.04291(4) 0.0373(13) Uani 0.645(4) 1 d PRDU A 2 F6B F 0.48322(5) 0.65721(4) -0.09381(5) 0.0418(12) Uani 0.645(4) 1 d PRDU A 2 F7B F 0.31187(5) 0.65565(4) -0.15483(4) 0.0642(15) Uani 0.645(4) 1 d PRDU A 2 F8B F 0.17414(5) 0.74217(5) -0.09183(4) 0.0586(14) Uani 0.645(4) 1 d PRDU A 2 F9B F 0.21332(5) 0.83262(4) 0.03874(4) 0.0529(13) Uani 0.645(4) 1 d PRDU A 2 F10B F 0.38293(5) 0.82827(4) 0.11042(4) 0.0444(12) Uani 0.645(4) 1 d PRDU A 2 C25A C 0.57002(5) 0.84814(4) 0.06327(5) 0.0309(19) Uani 0.321(5) 1 d PRDU A 1 C26A C 0.58864(6) 0.90251(5) 0.00503(5) 0.0294(19) Uani 0.321(5) 1 d PRDU A 1 C27A C 0.60752(6) 0.97940(6) 0.02582(5) 0.0309(18) Uani 0.321(5) 1 d PRDU A 1 C28A C 0.60776(6) 1.00192(5) 0.10485(5) 0.0342(19) Uani 0.321(5) 1 d PRDU A 1 C29A C 0.58913(5) 0.94755(4) 0.16309(5) 0.0368(19) Uani 0.321(5) 1 d PRDU A 1 C30A C 0.57026(5) 0.87066(4) 0.14230(5) 0.0329(19) Uani 0.321(5) 1 d PRDU A 1 F11A F 0.59187(6) 0.86824(6) -0.06577(5) 0.025(2) Uani 0.321(5) 1 d PRDU A 1 F12A F 0.62395(6) 1.02378(6) -0.03606(5) 0.038(2) Uani 0.321(5) 1 d PRDU A 1 F13A F 0.62467(6) 1.07857(5) 0.11387(5) 0.043(2) Uani 0.321(5) 1 d PRDU A 1 F14A F 0.57699(5) 0.99268(4) 0.22651(5) 0.040(2) Uani 0.321(5) 1 d PRDU A 1 F15A F 0.53928(5) 0.83959(4) 0.20781(5) 0.037(2) Uani 0.321(5) 1 d PRDU A 1 C25B C 0.56889(5) 0.84695(4) 0.07537(5) 0.0291(12) Uani 0.679(5) 1 d PRDU A 2 C26B C 0.58479(6) 0.88949(5) 0.00722(5) 0.0284(11) Uani 0.679(5) 1 d PRDU A 2 C27B C 0.60436(6) 0.96865(6) 0.01248(5) 0.0308(12) Uani 0.679(5) 1 d PRDU A 2 C28B C 0.60803(6) 1.00527(5) 0.08590(5) 0.0332(12) Uani 0.679(5) 1 d PRDU A 2 C29B C 0.59214(6) 0.96274(5) 0.15406(5) 0.0333(12) Uani 0.679(5) 1 d PRDU A 2 C30B C 0.57257(5) 0.88359(4) 0.14880(5) 0.0323(12) Uani 0.679(5) 1 d PRDU A 2 F11B F 0.57415(6) 0.86500(5) -0.06718(5) 0.0410(13) Uani 0.679(5) 1 d PRDU A 2 F12B F 0.61855(6) 1.01321(6) -0.05202(5) 0.0409(12) Uani 0.679(5) 1 d PRDU A 2 F13B F 0.62852(6) 1.08129(6) 0.09362(5) 0.0503(13) Uani 0.679(5) 1 d PRDU A 2 F14B F 0.60101(5) 0.98953(4) 0.22945(5) 0.0530(13) Uani 0.679(5) 1 d PRDU A 2 F15B F 0.56260(5) 0.84105(4) 0.21385(5) 0.0376(11) Uani 0.679(5) 1 d PRDU A 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Mo1 0.02351(19) 0.0285(2) 0.0311(2) -0.00078(14) 0.00105(13) 0.00055(12) Si1 0.0443(7) 0.0391(7) 0.0332(6) 0.0032(5) -0.0044(5) 0.0025(5) Si2 0.0274(6) 0.0366(7) 0.0618(8) -0.0060(6) -0.0009(5) -0.0045(5) Si3 0.0355(6) 0.0447(7) 0.0483(7) -0.0041(6) 0.0088(5) 0.0082(5) Si4 0.0441(7) 0.0294(6) 0.0475(7) 0.0004(5) 0.0042(5) 0.0046(5) N1 0.0292(16) 0.0271(17) 0.0275(17) -0.0006(13) 0.0040(13) 0.0002(13) N2 0.0282(16) 0.0313(18) 0.0392(19) -0.0022(14) 0.0036(14) 0.0017(13) O1 0.0400(16) 0.0382(16) 0.0330(16) 0.0004(12) -0.0033(12) 0.0027(12) O2 0.0308(14) 0.0360(16) 0.0442(17) -0.0049(13) 0.0016(12) -0.0067(12) B1 0.026(2) 0.035(2) 0.034(2) 0.0010(19) 0.0051(18) -0.0002(18) C1 0.088(4) 0.100(5) 0.047(3) 0.023(3) 0.003(3) -0.011(4) C2 0.063(4) 0.098(5) 0.063(4) 0.006(3) -0.010(3) 0.032(3) C3 0.105(5) 0.053(3) 0.081(4) -0.019(3) -0.036(4) -0.007(3) C4 0.033(3) 0.080(4) 0.106(5) -0.020(4) -0.008(3) 0.002(3) C5 0.068(3) 0.046(3) 0.097(4) 0.008(3) 0.018(3) -0.012(3) C6 0.046(3) 0.061(3) 0.067(3) -0.015(3) -0.009(2) -0.004(2) C7 0.080(4) 0.066(4) 0.055(3) -0.015(3) 0.015(3) 0.006(3) C8 0.032(2) 0.060(3) 0.082(4) 0.003(3) 0.010(2) 0.011(2) C9 0.053(3) 0.067(3) 0.053(3) 0.010(3) 0.020(2) 0.013(2) C10 0.056(3) 0.031(2) 0.092(4) 0.005(3) 0.023(3) 0.000(2) C11 0.049(3) 0.036(3) 0.081(4) -0.003(2) 0.007(2) 0.007(2) C12 0.081(4) 0.056(3) 0.050(3) 0.009(2) -0.006(3) 0.010(3) C13A 0.040(3) 0.029(3) 0.039(3) 0.000(3) 0.012(3) 0.003(3) C14A 0.047(3) 0.039(3) 0.040(3) 0.001(3) 0.005(3) 0.011(3) C15A 0.046(3) 0.038(3) 0.041(3) 0.004(3) 0.002(3) 0.001(3) C16A 0.050(4) 0.039(3) 0.043(3) 0.011(3) -0.004(3) 0.002(3) C17A 0.048(3) 0.038(3) 0.042(3) 0.010(3) -0.004(3) -0.005(3) C18A 0.038(3) 0.033(3) 0.037(3) 0.003(3) 0.000(3) 0.004(3) F1A 0.042(4) 0.056(4) 0.045(3) 0.007(3) 0.003(3) -0.001(3) F2A 0.056(3) 0.063(4) 0.056(4) 0.015(3) -0.011(3) 0.001(3) F3A 0.083(4) 0.066(4) 0.063(4) 0.032(3) -0.016(3) -0.005(3) F4A 0.078(4) 0.069(4) 0.069(4) 0.033(3) 0.002(3) -0.026(3) F5A 0.046(3) 0.046(3) 0.041(3) 0.000(2) 0.003(2) -0.016(3) C13B 0.038(3) 0.032(3) 0.035(3) -0.001(3) 0.004(3) 0.006(3) C14B 0.035(3) 0.030(3) 0.035(3) 0.004(3) 0.010(3) 0.002(3) C15B 0.042(3) 0.038(3) 0.041(3) 0.009(3) 0.000(3) -0.001(3) C16B 0.049(4) 0.039(4) 0.045(4) 0.014(3) 0.005(3) -0.004(3) C17B 0.052(4) 0.040(4) 0.052(4) 0.010(3) 0.001(3) -0.001(3) C18B 0.050(3) 0.036(3) 0.043(3) 0.003(3) 0.008(3) 0.003(3) F1B 0.027(3) 0.056(5) 0.042(3) 0.009(3) 0.000(3) -0.004(3) F2B 0.048(3) 0.061(4) 0.053(4) 0.020(3) -0.014(3) 0.000(3) F3B 0.076(4) 0.061(4) 0.062(4) 0.034(3) -0.002(3) 0.001(3) F4B 0.071(4) 0.061(4) 0.069(4) 0.027(3) -0.008(4) -0.021(3) F5B 0.052(4) 0.046(4) 0.041(3) 0.004(3) 0.004(3) -0.019(3) C19A 0.027(3) 0.037(4) 0.043(4) 0.011(3) 0.010(3) 0.003(3) C20A 0.034(3) 0.044(4) 0.052(4) 0.008(3) -0.004(3) -0.004(3) C21A 0.034(4) 0.044(4) 0.052(4) 0.000(4) -0.001(3) -0.005(3) C22A 0.025(3) 0.049(4) 0.045(4) 0.001(4) -0.004(4) -0.009(3) C23A 0.022(3) 0.044(4) 0.045(4) 0.001(3) -0.001(3) -0.003(3) C24A 0.021(3) 0.037(4) 0.039(4) 0.006(3) 0.001(3) -0.005(3) F6A 0.046(4) 0.028(4) 0.056(5) 0.007(3) -0.013(4) -0.002(3) F7A 0.052(5) 0.056(5) 0.078(6) -0.007(4) -0.019(4) -0.015(4) F8A 0.031(4) 0.076(6) 0.073(6) 0.013(5) -0.014(4) -0.013(4) F9A 0.025(4) 0.071(5) 0.072(6) 0.000(4) 0.000(3) 0.014(4) F10A 0.024(4) 0.035(4) 0.042(4) -0.007(3) 0.006(3) 0.005(3) C19B 0.032(3) 0.031(3) 0.037(3) 0.008(2) 0.002(2) -0.005(2) C20B 0.025(2) 0.039(3) 0.045(3) 0.001(2) 0.007(2) 0.002(2) C21B 0.031(3) 0.046(3) 0.048(3) -0.003(3) 0.003(2) -0.005(2) C22B 0.024(3) 0.049(3) 0.048(3) 0.004(3) 0.001(2) 0.001(2) C23B 0.028(3) 0.044(3) 0.046(3) 0.006(3) 0.005(2) 0.002(2) C24B 0.026(3) 0.042(3) 0.044(3) 0.011(2) 0.004(2) 0.000(2) F6B 0.038(2) 0.041(2) 0.047(3) -0.0067(19) -0.0024(19) 0.0084(18) F7B 0.047(3) 0.071(3) 0.074(3) -0.021(3) -0.014(2) -0.002(2) F8B 0.028(2) 0.078(3) 0.069(3) -0.003(3) -0.008(2) 0.001(2) F9B 0.030(2) 0.066(3) 0.062(3) -0.002(2) 0.0057(19) 0.012(2) F10B 0.037(2) 0.055(3) 0.042(2) -0.0032(19) 0.0019(18) 0.001(2) C25A 0.025(4) 0.033(4) 0.035(4) -0.012(3) 0.004(4) 0.003(4) C26A 0.028(4) 0.025(3) 0.035(3) -0.004(3) 0.000(3) 0.003(3) C27A 0.032(4) 0.024(3) 0.036(3) -0.001(3) -0.001(3) 0.001(3) C28A 0.038(4) 0.028(3) 0.036(4) -0.006(3) -0.001(3) 0.000(3) C29A 0.040(4) 0.030(3) 0.040(4) 0.000(3) 0.005(4) -0.001(3) C30A 0.033(4) 0.031(3) 0.035(3) -0.005(3) 0.005(4) -0.001(3) F11A 0.023(3) 0.023(5) 0.030(5) 0.000(4) -0.004(3) 0.000(3) F12A 0.046(5) 0.029(5) 0.040(4) -0.002(4) -0.003(4) -0.004(4) F13A 0.056(6) 0.032(5) 0.042(4) -0.007(3) 0.005(4) -0.006(5) F14A 0.034(4) 0.039(5) 0.047(6) -0.013(4) 0.002(3) -0.001(3) F15A 0.027(3) 0.041(5) 0.043(5) 0.005(4) 0.003(3) -0.004(3) C25B 0.021(2) 0.033(3) 0.033(2) 0.011(2) 0.006(2) -0.001(2) C26B 0.027(2) 0.023(2) 0.035(3) 0.010(2) 0.003(2) -0.001(2) C27B 0.031(2) 0.027(2) 0.034(2) -0.001(2) 0.002(2) 0.003(2) C28B 0.038(3) 0.025(2) 0.037(3) 0.005(2) 0.003(2) 0.000(2) C29B 0.036(3) 0.025(2) 0.039(3) 0.003(2) 0.006(2) -0.001(2) C30B 0.031(2) 0.026(2) 0.040(3) 0.000(2) 0.007(2) -0.003(2) F11B 0.039(2) 0.044(3) 0.040(3) 0.005(3) 0.0015(18) 0.0005(19) F12B 0.050(3) 0.027(2) 0.045(2) 0.0063(19) 0.003(2) -0.004(2) F13B 0.070(3) 0.029(3) 0.052(2) 0.0012(18) 0.004(2) -0.007(2) F14B 0.058(2) 0.050(3) 0.052(3) -0.015(2) 0.0028(19) 0.0046(19) F15B 0.0386(19) 0.040(3) 0.034(2) -0.001(2) 0.0080(15) -0.0036(16) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Mo1 N1 1.696(3) . ? Mo1 O1 1.838(3) . ? Mo1 O2 1.839(3) . ? Mo1 N2 1.914(3) . ? Si1 O1 1.666(3) . ? Si1 C3 1.845(5) . ? Si1 C1 1.851(6) . ? Si1 C2 1.851(5) . ? Si2 O2 1.679(3) . ? Si2 C5 1.839(6) . ? Si2 C6 1.844(5) . ? Si2 C4 1.854(5) . ? Si3 N2 1.809(3) . ? Si3 C7 1.861(5) . ? Si3 C8 1.863(5) . ? Si3 C9 1.863(5) . ? Si4 N2 1.796(3) . ? Si4 C10 1.854(5) . ? Si4 C12 1.8593(15) . ? Si4 C11 1.866(5) . ? N1 B1 1.585(5) . ? B1 C19B 1.671(3) . ? B1 C13B 1.688(3) . ? B1 C13A 1.705(3) . ? B1 C25A 1.706(3) . ? B1 C25B 1.713(3) . ? B1 C19A 1.736(3) . ? C1 H1A 0.9800 . ? C1 H1B 0.9800 . ? C1 H1C 0.9800 . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? C3 H3A 0.9800 . ? C3 H3B 0.9800 . ? C3 H3C 0.9800 . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C4 H4C 0.9800 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13A C18A 1.3899 . ? C13A C14A 1.3900 . ? C14A F1A 1.3071 . ? C14A C15A 1.3900 . ? C15A F2A 1.3495 . ? C15A C16A 1.3899 . ? C16A F3A 1.3481 . ? C16A C17A 1.3900 . ? C17A F4A 1.3340 . ? C17A C18A 1.3900 . ? C18A F5A 1.3399 . ? C13B C18B 1.3899 . ? C13B C14B 1.3900 . ? C14B F1B 1.3281 . ? C14B C15B 1.3900 . ? C15B F2B 1.3440 . ? C15B C16B 1.3899 . ? C16B F3B 1.3529 . ? C16B C17B 1.3900 . ? C17B F4B 1.3325 . ? C17B C18B 1.3899 . ? C18B F5B 1.3160 . ? C19A C24A 1.3900 . ? C19A C20A 1.3900 . ? C20A F6A 1.3148 . ? C20A C21A 1.3900 . ? C21A F7A 1.3304 . ? C21A C22A 1.3900 . ? C22A F8A 1.3540 . ? C22A C23A 1.3900 . ? C23A F9A 1.3426 . ? C23A C24A 1.3900 . ? C24A F10A 1.3271 . ? C19B C24B 1.3900 . ? C19B C20B 1.3900 . ? C20B F6B 1.3433 . ? C20B C21B 1.3900 . ? C21B F7B 1.3361 . ? C21B C22B 1.3900 . ? C22B F8B 1.3494 . ? C22B C23B 1.3900 . ? C23B F9B 1.3398 . ? C23B C24B 1.3900 . ? C24B F10B 1.3259 . ? C25A C26A 1.3900 . ? C25A C30A 1.3900 . ? C26A F11A 1.3355 . ? C26A C27A 1.3900 . ? C27A F12A 1.3225 . ? C27A C28A 1.3900 . ? C28A F13A 1.3458 . ? C28A C29A 1.3901 . ? C29A F14A 1.3393 . ? C29A C30A 1.3901 . ? C30A F15A 1.3214 . ? C25B C30B 1.3900 . ? C25B C26B 1.3900 . ? C26B F11B 1.3287 . ? C26B C27B 1.3900 . ? C27B F12B 1.3536 . ? C27B C28B 1.3900 . ? C28B F13B 1.3431 . ? C28B C29B 1.3900 . ? C29B F14B 1.3555 . ? C29B C30B 1.3900 . ? C30B F15B 1.3321 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 Mo1 O1 108.52(14) . . ? N1 Mo1 O2 106.46(13) . . ? O1 Mo1 O2 113.63(13) . . ? N1 Mo1 N2 107.07(14) . . ? O1 Mo1 N2 109.49(13) . . ? O2 Mo1 N2 111.38(13) . . ? O1 Si1 C3 106.0(2) . . ? O1 Si1 C1 105.9(2) . . ? C3 Si1 C1 111.9(3) . . ? O1 Si1 C2 109.4(2) . . ? C3 Si1 C2 113.1(3) . . ? C1 Si1 C2 110.2(3) . . ? O2 Si2 C5 107.4(2) . . ? O2 Si2 C6 108.90(19) . . ? C5 Si2 C6 112.0(3) . . ? O2 Si2 C4 106.4(2) . . ? C5 Si2 C4 111.2(3) . . ? C6 Si2 C4 110.6(3) . . ? N2 Si3 C7 110.1(2) . . ? N2 Si3 C8 109.4(2) . . ? C7 Si3 C8 112.1(2) . . ? N2 Si3 C9 109.54(19) . . ? C7 Si3 C9 108.3(3) . . ? C8 Si3 C9 107.4(2) . . ? N2 Si4 C10 111.0(2) . . ? N2 Si4 C12 107.23(13) . . ? C10 Si4 C12 113.6(2) . . ? N2 Si4 C11 110.9(2) . . ? C10 Si4 C11 105.5(2) . . ? C12 Si4 C11 108.48(17) . . ? B1 N1 Mo1 158.8(2) . . ? Si4 N2 Si3 120.91(18) . . ? Si4 N2 Mo1 126.13(18) . . ? Si3 N2 Mo1 112.69(17) . . ? Si1 O1 Mo1 170.92(19) . . ? Si2 O2 Mo1 168.84(19) . . ? N1 B1 C19B 113.0(2) . . ? N1 B1 C13B 105.8(2) . . ? C19B B1 C13B 109.5(2) . . ? N1 B1 C13A 105.4(2) . . ? C19B B1 C13A 112.7(2) . . ? N1 B1 C25A 101.9(2) . . ? C19B B1 C25A 106.32(19) . . ? C13B B1 C25A 120.2(2) . . ? C13A B1 C25A 117.1(2) . . ? N1 B1 C25B 106.4(2) . . ? C19B B1 C25B 108.6(2) . . ? C13B B1 C25B 113.5(2) . . ? C13A B1 C25B 110.5(2) . . ? N1 B1 C19A 106.9(2) . . ? C13B B1 C19A 111.57(19) . . ? C13A B1 C19A 114.91(19) . . ? C25A B1 C19A 109.13(18) . . ? C25B B1 C19A 112.06(19) . . ? Si1 C1 H1A 109.5 . . ? Si1 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? Si1 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? Si1 C2 H2A 109.5 . . ? Si1 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? Si1 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? Si1 C3 H3A 109.5 . . ? Si1 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? Si1 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? Si2 C4 H4A 109.5 . . ? Si2 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? Si2 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? Si2 C5 H5A 109.5 . . ? Si2 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? Si2 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? Si2 C6 H6A 109.5 . . ? Si2 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? Si2 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? Si3 C7 H7A 109.5 . . ? Si3 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? Si3 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? Si3 C8 H8A 109.5 . . ? Si3 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? Si3 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? Si3 C9 H9A 109.5 . . ? Si3 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? Si3 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? Si4 C10 H10A 109.5 . . ? Si4 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? Si4 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? Si4 C11 H11A 109.5 . . ? Si4 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? Si4 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? Si4 C12 H12A 109.5 . . ? Si4 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? Si4 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C18A C13A C14A 120.0 . . ? C18A C13A B1 125.42(11) . . ? C14A C13A B1 114.56(12) . . ? F1A C14A C13A 124.5 . . ? F1A C14A C15A 115.5 . . ? C13A C14A C15A 120.0 . . ? F2A C15A C16A 118.4 . . ? F2A C15A C14A 121.6 . . ? C16A C15A C14A 120.0 . . ? F3A C16A C15A 122.1 . . ? F3A C16A C17A 117.8 . . ? C15A C16A C17A 120.0 . . ? F4A C17A C18A 118.3 . . ? F4A C17A C16A 121.7 . . ? C18A C17A C16A 120.0 . . ? F5A C18A C13A 121.7 . . ? F5A C18A C17A 118.3 . . ? C13A C18A C17A 120.0 . . ? C18B C13B C14B 120.0 . . ? C18B C13B B1 120.42(11) . . ? C14B C13B B1 119.58(11) . . ? F1B C14B C15B 120.3 . . ? F1B C14B C13B 119.6 . . ? C15B C14B C13B 120.0 . . ? F2B C15B C16B 122.2 . . ? F2B C15B C14B 117.7 . . ? C16B C15B C14B 120.0 . . ? F3B C16B C15B 117.1 . . ? F3B C16B C17B 122.9 . . ? C15B C16B C17B 120.0 . . ? F4B C17B C18B 123.5 . . ? F4B C17B C16B 116.5 . . ? C18B C17B C16B 120.0 . . ? F5B C18B C13B 128.2 . . ? F5B C18B C17B 111.6 . . ? C13B C18B C17B 120.0 . . ? C24A C19A C20A 120.0 . . ? C24A C19A B1 117.37(15) . . ? C20A C19A B1 122.62(15) . . ? F6A C20A C21A 115.2 . . ? F6A C20A C19A 124.0 . . ? C21A C20A C19A 120.0 . . ? F7A C21A C20A 121.8 . . ? F7A C21A C22A 118.1 . . ? C20A C21A C22A 120.0 . . ? F8A C22A C21A 121.5 . . ? F8A C22A C23A 118.5 . . ? C21A C22A C23A 120.0 . . ? F9A C23A C24A 119.1 . . ? F9A C23A C22A 120.9 . . ? C24A C23A C22A 120.0 . . ? F10A C24A C19A 121.2 . . ? F10A C24A C23A 118.5 . . ? C19A C24A C23A 120.0 . . ? C24B C19B C20B 120.0 . . ? C24B C19B B1 116.20(15) . . ? C20B C19B B1 123.78(15) . . ? F6B C20B C21B 116.2 . . ? F6B C20B C19B 123.7 . . ? C21B C20B C19B 120.0 . . ? F7B C21B C22B 121.0 . . ? F7B C21B C20B 119.0 . . ? C22B C21B C20B 120.0 . . ? F8B C22B C21B 118.6 . . ? F8B C22B C23B 121.4 . . ? C21B C22B C23B 120.0 . . ? F9B C23B C24B 121.3 . . ? F9B C23B C22B 118.7 . . ? C24B C23B C22B 120.0 . . ? F10B C24B C23B 116.4 . . ? F10B C24B C19B 123.3 . . ? C23B C24B C19B 120.0 . . ? C26A C25A C30A 120.0 . . ? C26A C25A B1 129.31(13) . . ? C30A C25A B1 110.69(13) . . ? F11A C26A C27A 129.2 . . ? F11A C26A C25A 110.6 . . ? C27A C26A C25A 120.0 . . ? F12A C27A C26A 112.7 . . ? F12A C27A C28A 127.3 . . ? C26A C27A C28A 120.0 . . ? F13A C28A C27A 112.0 . . ? F13A C28A C29A 128.0 . . ? C27A C28A C29A 120.0 . . ? F14A C29A C30A 136.2 . . ? F14A C29A C28A 102.3 . . ? C30A C29A C28A 120.0 . . ? F15A C30A C25A 134.8 . . ? F15A C30A C29A 103.9 . . ? C25A C30A C29A 120.0 . . ? C30B C25B C26B 120.0 . . ? C30B C25B B1 128.58(13) . . ? C26B C25B B1 111.43(13) . . ? F11B C26B C27B 112.7 . . ? F11B C26B C25B 126.9 . . ? C27B C26B C25B 120.0 . . ? F12B C27B C28B 117.5 . . ? F12B C27B C26B 122.5 . . ? C28B C27B C26B 120.0 . . ? F13B C28B C27B 121.8 . . ? F13B C28B C29B 118.2 . . ? C27B C28B C29B 120.0 . . ? F14B C29B C30B 113.8 . . ? F14B C29B C28B 126.0 . . ? C30B C29B C28B 120.0 . . ? F15B C30B C29B 120.8 . . ? F15B C30B C25B 119.1 . . ? C29B C30B C25B 120.0 . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 25.33 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.248 _refine_diff_density_min -0.908 _refine_diff_density_rms 0.107 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -3.00 1.00 -2.00 0.0800 1.00 2.00 3.00 0.1700 -2.00 1.00 -2.00 0.1150 2.00 -1.00 2.00 0.1150 -1.00 -1.00 -2.00 0.1600 1.00 2.00 0.00 0.2000 1.00 1.00 2.00 0.1600 -1.00 -2.00 0.00 0.1600 2.00 -1.00 0.00 0.1800 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 2 0 0 13453.76 14896.60 1300.97 o 4 0 0 32345.34 38063.11 2723.83 o 6 0 0 7234.81 7854.08 684.13 o 8 0 0 612.22 663.42 91.24 o 10 0 0 4209.84 4290.50 302.90 o 12 0 0 4939.52 5457.11 397.69 o 14 0 0 7397.16 7954.07 576.57 o 16 0 0 205.10 156.42 81.79 o 1 1 0 524.21 391.32 26.74 o 2 1 0 6330.08 6195.06 306.40 o 3 1 0 2283.55 2141.63 104.95 o 4 1 0 1584.47 1044.07 70.86 o 5 1 0 9225.07 8848.77 546.95 o 6 1 0 30209.87 31732.20 1613.09 o 7 1 0 141.89 191.03 18.20 o 8 1 0 21548.42 23893.60 1315.87 o 9 1 0 140.86 122.41 20.07 o 10 1 0 3367.49 3391.05 175.29 o 11 1 0 12.21 -24.65 24.65 o 12 1 0 4.84 -28.05 28.05 o 13 1 0 40.86 -32.63 32.63 o 14 1 0 654.75 525.78 47.12 o 15 1 0 227.75 100.95 40.32 o 16 1 0 947.53 972.34 88.48 o 17 1 0 133.46 107.28 65.89 o 0 2 0 114254.51 118492.69 10656.91 o 1 2 0 12390.90 15454.12 962.19 o 2 2 0 18500.54 20204.61 1135.75 o 3 2 0 22691.60 21973.75 1080.91 o 4 2 0 17562.03 18137.53 833.64 o 5 2 0 674.57 580.49 29.10 o 6 2 0 3808.53 3894.69 195.27 o 7 2 0 4783.68 5038.88 256.74 o 8 2 0 9982.25 11351.77 628.90 o 9 2 0 4551.65 4742.46 240.72 o 10 2 0 3215.43 3281.33 168.41 o 11 2 0 1378.74 1386.71 76.14 o 12 2 0 6891.21 8406.51 516.44 o 13 2 0 1767.44 1805.61 99.22 o 14 2 0 5957.75 6150.12 307.71 o 15 2 0 68.41 34.21 41.24 o 16 2 0 748.61 852.98 84.92 o 17 2 0 83.15 8.19 67.63 o 1 3 0 21059.96 25840.96 1900.60 o 2 3 0 41898.88 46998.41 2376.93 o 3 3 0 15004.39 16327.53 909.48 o 4 3 0 57432.11 69426.96 3411.71 o 5 3 0 13346.40 15301.85 702.35 o 6 3 0 2098.29 2076.42 101.80 o 7 3 0 1322.01 1172.67 55.25 o 8 3 0 9.78 -14.16 16.38 o 9 3 0 7489.46 8029.45 403.92 o 10 3 0 3970.51 3945.42 202.29 o 11 3 0 210.36 215.45 27.66 o 12 3 0 33.47 -8.48 27.56 o 13 3 0 161.73 70.51 40.54 o 14 3 0 382.92 321.04 59.86 o 15 3 0 7.09 -44.15 44.15 o 16 3 0 1325.46 1513.46 103.06 o 17 3 0 457.81 408.85 92.38 o 0 4 0 4510.62 5554.49 392.73 o 1 4 0 1312.86 1405.02 81.53 o 2 4 0 36639.46 34798.11 1928.89 o 3 4 0 1130.68 935.86 50.42 o 4 4 0 69.63 99.03 11.55 o 5 4 0 57.21 65.55 10.61 o 6 4 0 2262.93 2205.77 102.38 o 7 4 0 407.97 453.57 29.21 o 8 4 0 3669.04 3728.10 172.10 o 9 4 0 2238.47 2118.19 110.15 o 10 4 0 6790.19 6791.75 344.38 o 11 4 0 3702.86 3641.32 183.77 o 12 4 0 2945.76 3441.35 165.35 o 13 4 0 3746.91 4261.49 239.21 o 14 4 0 1.60 -37.06 37.06 o 15 4 0 727.57 783.51 66.97 o 16 4 0 449.32 662.92 66.86 o 1 5 0 35.80 47.21 8.49 o 2 5 0 21509.96 24249.84 1341.07 o 3 5 0 3781.02 4186.41 231.18 o 4 5 0 19061.12 21174.42 1184.34 o 5 5 0 16173.43 18111.11 1010.86 o 6 5 0 2.74 -12.02 12.02 o 7 5 0 9758.63 11037.23 498.76 o 8 5 0 1651.94 1632.97 77.13 o 9 5 0 429.97 507.84 30.69 o 10 5 0 3224.59 2945.39 136.25 o 11 5 0 927.13 693.00 50.36 o 12 5 0 1878.25 1666.95 91.56 o 13 5 0 211.39 160.86 39.99 o 14 5 0 122.69 68.57 36.03 o 15 5 0 795.68 747.48 65.69 o 16 5 0 1837.09 2103.55 131.75 o 0 6 0 1759.56 1967.23 141.64 o 1 6 0 25350.57 30170.26 1669.05 o 2 6 0 11417.46 11433.30 631.01 o 3 6 0 375.68 418.44 33.40 o 4 6 0 828.15 727.11 43.14 o 5 6 0 245.75 148.56 16.14 o 6 6 0 13.86 -14.81 14.81 o 7 6 0 479.70 488.02 27.81 o 8 6 0 2564.98 2971.30 145.81 o 9 6 0 56.84 44.19 19.54 o 10 6 0 282.46 213.03 23.86 o 11 6 0 1672.57 1784.74 85.25 o 12 6 0 162.08 90.20 29.61 o 13 6 0 1798.97 1789.37 90.85 o 14 6 0 378.02 308.32 40.65 o 15 6 0 197.01 66.64 44.20 o 16 6 0 416.62 392.56 57.58 o 1 7 0 2936.03 3392.86 185.95 o 2 7 0 3659.51 3311.63 172.51 o 3 7 0 841.82 833.35 47.97 o 4 7 0 1021.06 1057.56 59.80 o 5 7 0 1007.83 1093.39 63.94 o 6 7 0 3855.19 4187.44 213.67 o 7 7 0 20925.92 25672.41 1162.15 o 8 7 0 4260.41 4457.96 204.48 o 9 7 0 1118.96 1265.18 62.36 o 10 7 0 50.96 38.93 21.91 o 11 7 0 93.82 87.27 30.29 o 12 7 0 660.77 662.73 45.69 o 13 7 0 6.49 -33.00 33.00 o 14 7 0 64.11 49.21 40.24 o 15 7 0 997.46 975.81 97.02 o 16 7 0 271.40 207.76 65.89 o 0 8 0 25410.32 29964.39 2152.41 o 1 8 0 15780.75 16191.90 897.11 o 2 8 0 137.81 121.08 18.57 o 3 8 0 4058.24 4311.51 239.12 o 4 8 0 4809.91 5427.18 300.79 o 5 8 0 233.67 260.18 23.64 o 6 8 0 116.84 154.61 25.03 o 7 8 0 1394.51 1420.05 82.02 o 8 8 0 20.58 -18.80 18.80 o 9 8 0 2112.74 2149.20 102.69 o 10 8 0 529.67 440.00 31.35 o 11 8 0 5961.96 6294.31 289.53 o 12 8 0 190.47 210.08 34.40 o 13 8 0 2528.03 2669.50 155.51 o 14 8 0 1165.36 1278.89 96.99 o 15 8 0 1732.75 1758.72 127.84 o 1 9 0 440.03 416.98 37.49 o 2 9 0 4295.13 4699.69 232.09 o 3 9 0 3465.03 3281.12 207.51 o 4 9 0 109.46 56.90 16.67 o 5 9 0 6732.57 7955.65 441.26 o 6 9 0 3885.05 3966.73 221.34 o 7 9 0 5673.09 6351.04 352.19 o 8 9 0 4036.02 3650.23 228.03 o 9 9 0 702.98 688.88 63.27 o 10 9 0 686.60 611.70 43.71 o 11 9 0 258.92 326.68 34.43 o 12 9 0 161.84 164.19 40.27 o 13 9 0 74.49 114.84 38.59 o 14 9 0 109.31 191.80 52.93 o 15 9 0 671.79 837.42 78.63 o 0 10 0 20405.63 22966.65 1633.81 o 1 10 0 4866.86 5421.86 271.03 o 2 10 0 989.79 856.03 84.59 o 3 10 0 6453.41 6853.24 612.71 o 4 10 0 1187.13 1305.88 75.61 o 5 10 0 1094.76 1103.15 73.65 o 6 10 0 2149.06 2089.43 143.65 o 7 10 0 358.54 358.13 37.35 o 8 10 0 51.26 -30.08 30.08 o 9 10 0 378.05 388.83 36.35 o 10 10 0 116.72 81.56 31.05 o 11 10 0 3732.89 3460.01 187.37 o 12 10 0 245.43 192.22 36.43 o 13 10 0 3120.80 3543.49 229.73 o 14 10 0 1.71 -52.80 52.80 o 15 10 0 1132.45 1088.87 93.84 o 1 11 0 5263.48 5949.31 326.52 o 2 11 0 1600.49 1583.80 87.83 o 3 11 0 5766.55 6067.03 379.59 o 4 11 0 847.36 930.12 57.72 o 5 11 0 205.75 198.42 26.76 o 6 11 0 35.63 -12.32 28.20 o 7 11 0 435.96 566.85 73.98 o 8 11 0 97.95 53.37 33.65 o 9 11 0 2979.76 2648.27 148.96 o 10 11 0 66.58 35.58 45.39 o 11 11 0 227.72 242.42 39.31 o 12 11 0 637.10 704.03 63.92 o 13 11 0 395.05 241.35 60.21 o 14 11 0 18.14 26.75 61.46 o 0 12 0 2430.18 2255.19 406.05 o 1 12 0 10384.92 12403.98 766.77 o 2 12 0 2508.94 2673.99 167.64 o 3 12 0 8860.29 9460.48 583.65 o 4 12 0 124.25 102.79 25.76 o 5 12 0 549.59 530.70 39.60 o 6 12 0 92.93 71.29 27.15 o 7 12 0 127.60 72.82 56.64 o 8 12 0 547.20 429.62 45.15 o 9 12 0 2155.78 2294.67 157.45 o 10 12 0 459.91 340.54 38.03 o 11 12 0 1037.72 887.81 61.95 o 12 12 0 20.11 44.63 40.96 o 13 12 0 852.37 786.06 83.61 o 14 12 0 564.74 488.57 72.04 o 1 13 0 344.32 369.07 37.66 o 2 13 0 1754.08 1971.17 126.75 o 3 13 0 1311.30 1198.94 81.47 o 4 13 0 1.51 15.81 29.28 o 5 13 0 4478.67 5073.39 310.87 o 6 13 0 390.30 472.76 46.79 o 7 13 0 3103.32 3290.17 204.76 o 8 13 0 22.00 -11.35 37.50 o 9 13 0 2881.27 2779.41 234.75 o 10 13 0 14.61 -20.09 37.53 o 11 13 0 0.30 -14.23 36.92 o 12 13 0 208.95 152.35 46.10 o 13 13 0 0.12 -20.82 62.43 o 0 14 0 580.12 573.45 70.94 o 1 14 0 5124.38 5926.03 368.84 o 2 14 0 424.87 465.33 43.68 o 3 14 0 33.62 27.51 42.91 o 4 14 0 10.21 40.71 33.53 o 5 14 0 648.54 623.47 78.70 o 6 14 0 24.44 -19.99 33.42 o 7 14 0 4.38 34.96 39.70 o 8 14 0 26.65 32.14 40.70 o 9 14 0 2674.79 2731.69 176.46 o 10 14 0 330.03 335.70 66.79 o 11 14 0 2376.90 2085.52 132.50 o 12 14 0 768.31 713.90 80.28 o 1 15 0 114.77 77.22 34.57 o 2 15 0 22.14 -33.13 33.13 o 3 15 0 1142.62 1130.01 165.39 o 4 15 0 1538.48 1521.92 101.32 o 5 15 0 2296.59 2638.33 166.90 o 6 15 0 822.37 981.51 86.38 o 7 15 0 1601.56 1439.59 117.86 o 8 15 0 39.67 23.55 52.90 o 9 15 0 1335.80 1364.11 112.10 o 10 15 0 100.79 18.10 64.72 o 11 15 0 114.58 123.23 48.99 o 0 16 0 50.76 -109.48 132.30 o 1 16 0 3591.02 3663.73 230.83 o 2 16 0 287.43 197.67 54.85 o 3 16 0 989.39 1105.12 89.95 o 4 16 0 1228.85 1022.14 127.96 o 5 16 0 316.23 246.14 50.90 o 6 16 0 244.74 138.23 69.00 o 7 16 0 96.82 138.72 54.89 o 8 16 0 187.04 165.25 84.98 o 9 16 0 351.09 356.20 161.12 o 10 16 0 1216.98 1280.86 135.64 o 1 17 0 47.28 -53.29 53.29 o 2 17 0 1548.86 1370.66 131.36 o 3 17 0 324.68 369.75 56.47 o 4 17 0 1774.58 1880.17 196.28 o 5 17 0 463.17 421.75 57.71 o 6 17 0 308.14 391.15 58.55 o 7 17 0 1291.86 1274.42 126.14 o 8 17 0 696.57 697.95 77.48 o 9 17 0 146.79 131.24 78.37 o 0 18 0 359.37 356.20 95.82 o 1 18 0 957.81 812.01 91.47 o 2 18 0 1828.93 1606.25 150.08 o 3 18 0 0.29 -8.26 57.70 o 4 18 0 1450.79 1430.62 138.04 o 5 18 0 2.64 -4.74 57.43 o 6 18 0 28.62 171.90 64.13 o 7 18 0 8.50 -47.34 63.70 o 8 18 0 40.61 21.10 69.93 o 1 19 0 357.40 277.15 100.66 o 2 19 0 35.13 63.53 62.04 o 3 19 0 354.82 233.92 65.89 o 4 19 0 709.42 601.58 83.78 o 5 19 0 65.50 138.07 70.41 o 6 19 0 1777.96 1725.14 161.62 o 0 20 0 242.58 271.91 101.24 o 1 20 0 1.48 -0.07 65.92 o 2 20 0 1331.14 956.44 102.38 o 3 20 0 4.45 74.11 66.48 o 4 20 0 171.38 216.45 72.15 o -17 0 1 167.46 60.94 141.04 o -15 0 1 7.34 -72.23 72.23 o -13 0 1 17.58 -44.96 44.96 o -11 0 1 661.30 577.33 101.10 o -9 0 1 5269.25 6096.61 441.43 o -7 0 1 6126.32 6634.88 578.62 o -5 0 1 2996.46 3651.59 318.61 o -3 0 1 237.89 154.06 13.81 o -1 0 1 41617.62 45367.38 4098.07 o 1 0 1 59795.25 53902.73 4878.53 o 3 0 1 730.79 549.91 51.30 o 5 0 1 29511.62 35617.95 2561.18 o 7 0 1 25511.57 31414.70 2238.57 o 9 0 1 5348.45 5012.20 387.52 o 11 0 1 2528.21 2333.44 151.56 o 13 0 1 2555.24 2931.26 216.66 o 15 0 1 3832.19 4412.54 327.23 o 17 0 1 303.65 103.43 93.63 o -17 1 1 443.80 429.05 73.97 o -16 1 1 14.05 -24.71 58.57 o -15 1 1 1310.36 1561.80 114.71 o -14 1 1 248.31 155.24 41.84 o -13 1 1 4373.95 5025.14 259.10 o -12 1 1 1.69 -27.34 27.34 o -11 1 1 6622.75 7440.37 380.62 o -10 1 1 0.76 -21.59 21.59 o -9 1 1 21.99 7.76 18.45 o -8 1 1 1807.65 1843.59 93.27 o -7 1 1 309.94 287.65 20.65 o -6 1 1 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51.44 o -5 5 18 14.52 -39.61 61.07 o -4 5 18 91.29 86.54 61.68 o -3 5 18 365.70 429.35 63.83 o -2 5 18 885.02 1032.27 101.92 o -1 5 18 1354.27 1808.46 206.67 o 0 5 18 670.47 795.83 116.33 o 1 5 18 326.69 276.14 98.38 o 2 5 18 1097.61 1370.22 226.91 o 3 5 18 48.11 55.14 116.45 o 4 5 18 467.29 681.05 154.75 o 5 5 18 4.98 -71.69 124.57 o 6 5 18 253.91 307.96 89.78 o -6 6 18 121.11 63.88 71.44 o -5 6 18 166.98 178.77 67.41 o -4 6 18 595.25 590.37 87.67 o -3 6 18 413.75 547.93 88.03 o -2 6 18 146.93 205.76 127.43 o -1 6 18 575.91 736.31 110.20 o 0 6 18 0.34 -86.21 92.17 o 1 6 18 102.09 141.31 105.20 o 2 6 18 14.25 -154.11 154.11 o 3 6 18 193.06 301.54 150.80 o 4 6 18 150.78 169.99 103.27 o 5 6 18 1322.66 1580.08 159.30 o -6 7 18 6.19 -7.30 93.33 o -5 7 18 118.52 137.19 67.76 o -4 7 18 19.50 -43.29 84.84 o -3 7 18 707.85 1166.47 134.14 o -2 7 18 438.39 479.49 99.42 o -1 7 18 753.91 766.03 147.98 o 0 7 18 496.41 424.43 102.41 o 1 7 18 680.43 756.45 126.74 o 2 7 18 735.46 988.45 141.73 o 3 7 18 251.73 344.37 101.10 o 4 7 18 297.10 394.63 70.01 o -4 8 18 17.65 -44.00 70.61 o -3 8 18 476.14 601.50 99.60 o -2 8 18 53.62 78.34 83.72 o -1 8 18 36.72 80.54 174.60 o 0 8 18 25.76 105.39 98.63 o 1 8 18 285.24 585.05 163.67 o 2 8 18 234.35 516.97 113.87 o 3 8 18 536.96 889.09 134.97 o -3 9 18 158.48 147.97 85.62 o -2 9 18 243.58 264.54 89.12 o -1 9 18 558.90 715.34 115.66 o 0 9 18 106.59 82.26 98.62 o 1 9 18 1529.87 2322.98 242.66 o 2 9 18 38.39 -27.88 119.66 o -5 0 19 1095.88 1098.04 181.12 o -3 0 19 2000.31 2015.65 281.49 o -1 0 19 139.15 193.17 123.75 o 1 0 19 745.64 977.61 193.69 o 3 0 19 433.68 889.58 184.90 o 5 0 19 284.56 371.69 168.46 o -6 1 19 13.47 49.82 70.31 o -5 1 19 562.87 585.49 94.81 o -4 1 19 200.46 145.05 73.50 o -3 1 19 263.10 495.25 85.02 o -2 1 19 44.96 60.44 77.52 o -1 1 19 58.15 143.21 86.18 o 0 1 19 97.13 30.71 88.16 o 1 1 19 249.60 450.72 110.36 o 2 1 19 1.25 233.72 153.46 o 3 1 19 2253.91 3385.58 325.56 o 4 1 19 84.95 68.33 110.41 o 5 1 19 978.78 1859.81 216.15 o -6 2 19 425.12 407.52 82.79 o -5 2 19 425.66 378.55 104.13 o -4 2 19 40.74 -74.84 74.84 o -3 2 19 656.54 918.60 111.56 o -2 2 19 237.43 211.12 82.40 o -1 2 19 426.00 394.31 93.82 o 0 2 19 11.10 -29.92 93.00 o 1 2 19 1004.12 1815.07 202.90 o 2 2 19 212.91 602.44 134.61 o 3 2 19 198.12 392.06 110.86 o 4 2 19 36.51 140.35 109.79 o 5 2 19 233.73 416.05 141.18 o -6 3 19 7.41 -47.06 73.61 o -5 3 19 603.93 674.11 96.38 o -4 3 19 40.94 0.67 71.31 o -3 3 19 24.05 78.82 70.94 o -2 3 19 37.60 87.81 81.11 o -1 3 19 195.22 208.90 92.97 o 0 3 19 516.94 698.31 115.85 o 1 3 19 280.07 353.10 108.02 o 2 3 19 296.67 523.97 125.29 o 3 3 19 1527.60 2119.77 251.83 o 4 3 19 203.48 188.93 144.68 o -5 4 19 67.67 89.83 116.12 o -4 4 19 337.18 327.66 77.90 o -3 4 19 795.97 890.43 114.75 o -2 4 19 257.62 305.70 92.19 o -1 4 19 272.65 314.70 95.08 o 0 4 19 162.37 150.48 91.86 o 1 4 19 540.77 656.72 166.54 o 2 4 19 52.04 -93.41 150.06 o 3 4 19 400.62 461.69 146.56 o 4 4 19 33.34 120.98 140.07 o -5 5 19 1112.45 1012.16 118.30 o -4 5 19 2.27 -25.87 74.02 o -3 5 19 28.81 -49.34 99.75 o -2 5 19 0.02 -14.16 112.21 o -1 5 19 13.47 -27.47 114.60 o 0 5 19 5.73 62.03 128.91 o 1 5 19 104.17 213.79 147.51 o 2 5 19 418.99 757.65 183.78 o 3 5 19 122.27 -18.07 126.97 o -4 6 19 498.51 554.22 121.06 o -3 6 19 472.47 560.34 99.03 o -2 6 19 606.91 726.86 111.19 o -1 6 19 138.34 130.83 84.11 o 0 6 19 809.13 942.90 182.28 o 1 6 19 655.47 987.76 196.38 o 2 6 19 8.22 -143.72 143.72 o -2 7 19 2.82 16.13 111.56 o -1 7 19 5.91 35.56 89.49 o 0 7 19 1.41 62.71 182.22 o 1 7 19 65.27 32.99 140.14 o -2 0 20 16.16 189.85 137.57 o 0 0 20 1.62 -142.33 142.33 o 2 0 20 1778.19 2969.19 426.89 o -3 1 20 9.32 -20.69 85.12 o -2 1 20 1074.68 1699.26 184.73 o -1 1 20 64.05 20.27 97.70 o 0 1 20 183.19 166.51 110.29 o 1 1 20 24.09 29.22 117.11 o 2 1 20 17.98 268.55 192.46 o -3 2 20 7.36 -78.07 78.07 o -2 2 20 184.17 223.92 96.11 o -1 2 20 4.64 -20.36 97.29 o 0 2 20 250.30 566.23 122.59 o 1 2 20 127.30 140.63 126.34 o 2 2 20 2318.12 2935.10 422.71 o -2 3 20 68.91 158.86 99.32 o -1 3 20 109.54 175.61 99.05 o 0 3 20 411.99 573.39 124.15 o 1 3 20 155.96 409.99 141.48 o #===END data_ba00lasq _database_code_depnum_ccdc_archive 'CCDC 788130' #TrackingRef '- 2-b_3-b.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C30 H27 B F15 Mo N O3' _chemical_formula_sum 'C30 H27 B F15 Mo N O3' _chemical_formula_weight 841.28 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Fdd2 _symmetry_space_group_name_Hall 'F 2 -2d' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' 'x+1/4, -y+1/4, z+1/4' '-x+1/4, y+1/4, z+1/4' 'x, y+1/2, z+1/2' '-x, -y+1/2, z+1/2' 'x+1/4, -y+3/4, z+3/4' '-x+1/4, y+3/4, z+3/4' 'x+1/2, y, z+1/2' '-x+1/2, -y, z+1/2' 'x+3/4, -y+1/4, z+3/4' '-x+3/4, y+1/4, z+3/4' 'x+1/2, y+1/2, z' '-x+1/2, -y+1/2, z' 'x+3/4, -y+3/4, z+1/4' '-x+3/4, y+3/4, z+1/4' _cell_length_a 21.3488(18) _cell_length_b 66.889(5) _cell_length_c 10.0299(10) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 14323(2) _cell_formula_units_Z 16 _cell_measurement_temperature 193(2) _cell_measurement_reflns_used 1884 _cell_measurement_theta_min 2.44 _cell_measurement_theta_max 18.08 _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_size_max 0.55 _exptl_crystal_size_mid 0.23 _exptl_crystal_size_min 0.14 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.561 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 6720 _exptl_absorpt_coefficient_mu 0.476 _exptl_absorpt_correction_type integration _exptl_absorpt_correction_T_min 0.7785 _exptl_absorpt_correction_T_max 0.9381 _exptl_absorpt_process_details 'SHELXTL/XPREP (Bruker, 2001)' _exptl_crystal_preparation ; The data crystal was mounted using oil (Parantone-N, Exxon) to a 0.3 mm cryo-loop (Hampton Research) with the (??) scattering planes roughly normal to the spindle axis. ; _exptl_special_details ; One distinct cell was dentified using SMART/APEX2 (Bruker, 2001/4) and Cell_Now (Sheldrick, 2004). Five frame series were integrated using SAINT (Bruker, 2005) then corrected for absorption by integration using SHELXTL/XPREP V2005/2 (Bruker, 2005) before using SAINT/SADABS (Bruker, 2005) to sort, merge, and scale the combined data. No decay correction was applied. A numerical absorption correction was preformed on the data, which included the pentane solvate molecule. The solvent was then "Squeezed" away from the data for final refinements. ; _diffrn_ambient_temperature 193(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 21338 _diffrn_reflns_av_R_equivalents 0.0901 _diffrn_reflns_av_sigmaI/netI 0.0961 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min -75 _diffrn_reflns_limit_k_max 80 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_theta_min 2.00 _diffrn_reflns_theta_max 25.45 _reflns_number_total 6054 _reflns_number_gt 4531 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 V2.0-1 (Bruker, 2004)' _computing_cell_refinement 'SAINT V7.23A (Bruker, 2005)' _computing_data_reduction 'SAINT V7.23A, XPREP V2005/2, SADABS V2007/4 (Bruker, 2005 & 2007)' _computing_structure_solution 'SHELXTL V6.12 (Bruker, 2005)' _computing_structure_refinement 'SHELXTL V6.12 (Bruker, 2005)' _computing_molecular_graphics 'SHELXTL V6.12 (Bruker, 2005)' _computing_publication_material 'XCIF V6.12 (Bruker, 2005)' _refine_special_details ; Structure was phased by direct methods. Systematic conditions suggested the unambiguous space group Fdd2. The space group choice was confirmed by successful convergence of the full-matrix least-squares refinement on F^2^. The highest peaks in the final difference Fourier map were in the vicinity of atoms O2 and Mo1; the final map had no other significant features. A final analysis of variance between observed and calculated structure factors showed some dependence on amplitude or resolution. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0258P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.08(3) _refine_ls_number_reflns 6054 _refine_ls_number_parameters 469 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0718 _refine_ls_R_factor_gt 0.0472 _refine_ls_wR_factor_ref 0.0866 _refine_ls_wR_factor_gt 0.0785 _refine_ls_goodness_of_fit_ref 0.962 _refine_ls_restrained_S_all 0.962 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Mo1 Mo 0.89247(2) 0.938874(6) 0.38957(5) 0.02552(12) Uani 1 1 d . . . N1 N 0.9147(2) 0.93215(6) 0.5452(5) 0.0279(12) Uani 1 1 d . . . B1 B 0.9233(3) 0.92478(8) 0.6946(7) 0.0262(16) Uani 1 1 d . . . O1 O 0.96183(18) 0.94096(5) 0.2855(4) 0.0342(10) Uani 1 1 d . . . O2 O 0.84246(17) 0.91994(5) 0.3161(4) 0.0339(10) Uani 1 1 d . . . O3 O 0.85233(16) 0.96283(4) 0.3935(4) 0.0364(9) Uani 1 1 d . . . F1 F 1.17210(18) 0.95259(5) 0.8423(5) 0.0795(14) Uani 1 1 d . . . F2 F 1.13438(16) 0.91530(5) 0.9142(4) 0.0597(11) Uani 1 1 d . . . F3 F 0.97565(16) 0.96477(4) 0.6555(4) 0.0487(9) Uani 1 1 d . . . F4 F 1.09037(19) 0.97699(5) 0.7112(4) 0.0713(13) Uani 1 1 d . . . F5 F 1.02145(14) 0.90238(4) 0.8547(3) 0.0440(10) Uani 1 1 d . . . F6 F 0.85683(15) 0.89679(4) 0.8842(4) 0.0481(9) Uani 1 1 d . . . F7 F 0.85789(15) 0.85731(4) 0.8758(4) 0.0587(10) Uani 1 1 d . . . F8 F 0.92163(17) 0.83784(4) 0.6809(4) 0.0564(11) Uani 1 1 d . . . F9 F 0.98552(17) 0.85912(4) 0.4933(4) 0.0554(10) Uani 1 1 d . . . F10 F 0.98710(16) 0.89895(4) 0.5037(4) 0.0444(9) Uani 1 1 d . . . F11 F 0.92901(18) 0.93930(6) 0.9760(4) 0.0644(12) Uani 1 1 d . . . F12 F 0.83642(18) 0.95617(5) 1.1114(4) 0.0651(12) Uani 1 1 d . . . F13 F 0.72010(18) 0.95980(5) 1.0029(4) 0.0630(11) Uani 1 1 d . . . F14 F 0.70070(17) 0.94709(6) 0.7495(4) 0.0655(12) Uani 1 1 d . . . F15 F 0.79133(16) 0.93015(5) 0.6106(3) 0.0484(10) Uani 1 1 d . . . C1 C 1.0298(3) 0.94036(8) 0.2727(6) 0.0317(14) Uani 1 1 d . . . C2 C 1.0586(3) 0.94406(7) 0.4086(6) 0.0357(15) Uani 1 1 d . . . H2A H 1.0440 0.9569 0.4432 0.053 Uiso 1 1 calc R . . H2B H 1.1043 0.9442 0.4008 0.053 Uiso 1 1 calc R . . H2C H 1.0460 0.9334 0.4698 0.053 Uiso 1 1 calc R . . C3 C 1.0453(3) 0.92002(8) 0.2200(7) 0.0518(19) Uani 1 1 d . . . H3A H 1.0244 0.9180 0.1340 0.078 Uiso 1 1 calc R . . H3B H 1.0309 0.9098 0.2832 0.078 Uiso 1 1 calc R . . H3C H 1.0907 0.9189 0.2083 0.078 Uiso 1 1 calc R . . C4 C 1.0462(3) 0.95698(8) 0.1741(6) 0.0454(17) Uani 1 1 d . . . H4A H 1.0255 0.9544 0.0887 0.068 Uiso 1 1 calc R . . H4B H 1.0916 0.9574 0.1610 0.068 Uiso 1 1 calc R . . H4C H 1.0319 0.9699 0.2096 0.068 Uiso 1 1 calc R . . C5 C 0.8208(3) 0.89936(8) 0.2939(6) 0.0353(16) Uani 1 1 d . . . C6 C 0.7943(3) 0.89119(8) 0.4238(7) 0.055(2) Uani 1 1 d . . . H6A H 0.7591 0.8995 0.4527 0.082 Uiso 1 1 calc R . . H6B H 0.8270 0.8913 0.4924 0.082 Uiso 1 1 calc R . . H6C H 0.7798 0.8774 0.4100 0.082 Uiso 1 1 calc R . . C7 C 0.7720(3) 0.90105(9) 0.1880(7) 0.056(2) Uani 1 1 d . . . H7A H 0.7355 0.9082 0.2234 0.084 Uiso 1 1 calc R . . H7B H 0.7593 0.8876 0.1592 0.084 Uiso 1 1 calc R . . H7C H 0.7891 0.9084 0.1118 0.084 Uiso 1 1 calc R . . C8 C 0.8771(3) 0.88743(9) 0.2441(8) 0.059(2) Uani 1 1 d . . . H8A H 0.8944 0.8939 0.1644 0.088 Uiso 1 1 calc R . . H8B H 0.8639 0.8738 0.2221 0.088 Uiso 1 1 calc R . . H8C H 0.9092 0.8870 0.3139 0.088 Uiso 1 1 calc R . . C9 C 0.8402(3) 0.98343(7) 0.4362(6) 0.0392(17) Uani 1 1 d . . . C10 C 0.7887(3) 0.99078(9) 0.3472(8) 0.069(3) Uani 1 1 d . . . H10A H 0.7525 0.9818 0.3545 0.104 Uiso 1 1 calc R . . H10B H 0.8034 0.9910 0.2547 0.104 Uiso 1 1 calc R . . H10C H 0.7765 1.0043 0.3742 0.104 Uiso 1 1 calc R . . C11 C 0.9023(3) 0.99442(8) 0.4168(8) 0.063(2) Uani 1 1 d . . . H11A H 0.9134 0.9944 0.3220 0.095 Uiso 1 1 calc R . . H11B H 0.9352 0.9877 0.4679 0.095 Uiso 1 1 calc R . . H11C H 0.8981 1.0082 0.4481 0.095 Uiso 1 1 calc R . . C12 C 0.8216(4) 0.98287(9) 0.5813(7) 0.059(2) Uani 1 1 d . . . H12A H 0.7829 0.9751 0.5912 0.088 Uiso 1 1 calc R . . H12B H 0.8146 0.9965 0.6134 0.088 Uiso 1 1 calc R . . H12C H 0.8550 0.9766 0.6335 0.088 Uiso 1 1 calc R . . C13 C 1.1142(3) 0.94605(10) 0.8130(7) 0.0520(18) Uani 1 1 d . . . C14 C 1.0953(3) 0.92753(8) 0.8455(6) 0.0400(16) Uani 1 1 d . . . C15 C 1.0367(3) 0.92098(7) 0.8130(6) 0.0304(14) Uani 1 1 d . . . C16 C 0.9932(3) 0.93240(7) 0.7444(6) 0.0299(14) Uani 1 1 d . . . C17 C 1.0146(3) 0.95149(8) 0.7179(6) 0.0351(15) Uani 1 1 d . . . C18 C 1.0731(4) 0.95855(8) 0.7481(7) 0.0477(18) Uani 1 1 d . . . C19 C 0.9201(3) 0.90025(7) 0.6914(5) 0.0265(13) Uani 1 1 d . . . C20 C 0.8888(3) 0.88838(7) 0.7808(6) 0.0322(13) Uani 1 1 d . . . C21 C 0.8877(3) 0.86780(8) 0.7816(6) 0.0381(15) Uani 1 1 d . . . C22 C 0.9206(3) 0.85808(7) 0.6829(7) 0.0401(18) Uani 1 1 d . . . C23 C 0.9525(3) 0.86848(8) 0.5898(6) 0.0363(15) Uani 1 1 d . . . C24 C 0.9520(3) 0.88921(7) 0.5956(6) 0.0321(15) Uani 1 1 d . . . C25 C 0.8667(3) 0.93484(7) 0.7826(6) 0.0248(13) Uani 1 1 d . . . C26 C 0.8729(3) 0.94167(8) 0.9104(8) 0.0428(18) Uani 1 1 d . . . C27 C 0.8259(3) 0.95005(8) 0.9879(7) 0.0406(16) Uani 1 1 d . . . C28 C 0.7678(3) 0.95178(8) 0.9329(7) 0.0428(18) Uani 1 1 d . . . C29 C 0.7576(3) 0.94546(9) 0.8051(7) 0.0404(17) Uani 1 1 d . . . C30 C 0.8069(3) 0.93664(8) 0.7338(6) 0.0356(16) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Mo1 0.0259(3) 0.02760(18) 0.0230(2) -0.0021(2) 0.0001(3) -0.0004(2) N1 0.031(3) 0.034(2) 0.019(3) 0.0003(19) 0.002(2) 0.004(2) B1 0.026(4) 0.032(3) 0.021(4) 0.001(3) 0.000(3) 0.001(3) O1 0.023(3) 0.046(2) 0.033(3) 0.0033(18) 0.004(2) -0.0082(18) O2 0.035(3) 0.0341(19) 0.033(2) -0.0038(16) 0.001(2) -0.0069(17) O3 0.047(3) 0.0284(17) 0.034(2) -0.0074(18) -0.005(3) 0.0041(15) F1 0.045(3) 0.093(3) 0.100(4) 0.001(3) -0.013(3) -0.034(2) F2 0.039(2) 0.076(2) 0.064(3) -0.001(2) -0.009(2) 0.0048(18) F3 0.062(3) 0.0344(15) 0.049(3) 0.0054(18) -0.006(2) -0.0038(15) F4 0.082(3) 0.057(2) 0.075(3) 0.0121(19) -0.007(2) -0.037(2) F5 0.039(2) 0.0398(16) 0.053(3) 0.0132(16) -0.0132(19) 0.0003(14) F6 0.055(2) 0.0504(17) 0.039(2) 0.0124(18) 0.014(2) 0.0018(15) F7 0.055(2) 0.0493(18) 0.071(3) 0.0235(19) 0.011(3) -0.0090(15) F8 0.062(3) 0.0309(16) 0.076(3) -0.0003(17) -0.012(2) 0.0015(16) F9 0.066(3) 0.0492(19) 0.051(3) -0.0138(18) 0.007(2) 0.0169(18) F10 0.045(2) 0.0499(18) 0.038(2) 0.0007(16) 0.019(2) 0.0053(16) F11 0.046(3) 0.122(3) 0.026(2) -0.021(2) -0.011(2) 0.024(2) F12 0.077(3) 0.090(2) 0.029(3) -0.022(2) 0.007(2) 0.0185(19) F13 0.056(3) 0.071(2) 0.061(3) 0.001(2) 0.028(2) 0.0263(19) F14 0.028(3) 0.112(3) 0.056(3) 0.013(2) 0.004(2) 0.010(2) F15 0.035(2) 0.080(2) 0.030(3) -0.0138(18) -0.0052(18) -0.0092(17) C1 0.027(4) 0.045(3) 0.024(4) 0.001(3) 0.001(3) 0.004(3) C2 0.032(4) 0.046(3) 0.029(4) 0.003(3) 0.000(3) -0.004(2) C3 0.065(5) 0.049(4) 0.041(5) -0.003(3) 0.004(4) 0.001(3) C4 0.036(4) 0.063(4) 0.037(5) 0.015(3) 0.005(3) -0.006(3) C5 0.036(4) 0.036(3) 0.034(4) -0.009(3) -0.007(3) -0.011(3) C6 0.060(5) 0.053(4) 0.052(6) 0.013(3) 0.000(4) -0.010(3) C7 0.055(5) 0.057(4) 0.056(6) -0.018(3) -0.018(4) -0.004(3) C8 0.047(5) 0.050(4) 0.079(6) -0.025(4) -0.015(4) 0.003(3) C9 0.054(5) 0.029(3) 0.035(4) -0.009(3) 0.000(3) 0.004(3) C10 0.086(6) 0.043(4) 0.079(7) -0.004(4) -0.020(5) 0.030(4) C11 0.080(6) 0.047(3) 0.063(6) 0.004(3) 0.021(5) -0.030(3) C12 0.082(6) 0.048(3) 0.047(5) -0.010(3) 0.013(4) 0.005(4) C13 0.037(5) 0.071(4) 0.048(5) -0.015(3) -0.006(4) -0.016(4) C14 0.036(4) 0.046(3) 0.039(4) -0.004(3) -0.004(3) 0.002(3) C15 0.031(4) 0.033(3) 0.027(4) -0.001(2) 0.001(3) 0.000(3) C16 0.029(4) 0.036(3) 0.025(4) -0.004(2) -0.007(3) -0.005(3) C17 0.037(4) 0.039(3) 0.029(4) 0.002(3) -0.002(3) 0.002(3) C18 0.062(5) 0.039(3) 0.043(4) 0.002(3) 0.006(4) -0.024(3) C19 0.028(4) 0.033(3) 0.018(3) 0.003(2) -0.002(3) -0.006(2) C20 0.027(4) 0.038(3) 0.031(4) -0.001(3) -0.002(3) 0.002(3) C21 0.033(4) 0.037(3) 0.044(4) 0.016(3) -0.006(3) -0.002(3) C22 0.037(4) 0.022(3) 0.061(5) 0.004(3) -0.017(4) -0.007(3) C23 0.039(4) 0.036(3) 0.034(4) -0.009(3) -0.008(3) 0.009(3) C24 0.026(4) 0.039(3) 0.032(4) -0.002(3) -0.003(3) -0.003(3) C25 0.020(4) 0.032(3) 0.023(4) 0.000(2) 0.000(3) -0.003(2) C26 0.040(5) 0.055(4) 0.034(5) 0.004(3) -0.010(4) 0.005(3) C27 0.049(5) 0.045(3) 0.028(4) -0.007(3) 0.004(4) 0.011(3) C28 0.043(5) 0.045(3) 0.041(5) 0.007(3) 0.010(4) 0.012(3) C29 0.027(4) 0.050(3) 0.044(5) 0.016(3) 0.006(4) 0.004(3) C30 0.033(5) 0.047(3) 0.026(4) -0.002(3) 0.004(3) -0.009(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Mo1 N1 1.692(5) . ? Mo1 O2 1.813(3) . ? Mo1 O1 1.817(4) . ? Mo1 O3 1.817(3) . ? N1 B1 1.588(8) . ? B1 C25 1.640(9) . ? B1 C19 1.643(7) . ? B1 C16 1.654(9) . ? O1 C1 1.457(7) . ? O2 C5 1.470(6) . ? O3 C9 1.466(6) . ? F1 C13 1.343(7) . ? F2 C14 1.356(6) . ? F3 C17 1.368(6) . ? F4 C18 1.339(6) . ? F5 C15 1.352(5) . ? F6 C20 1.363(6) . ? F7 C21 1.338(7) . ? F8 C22 1.354(5) . ? F9 C23 1.351(7) . ? F10 C24 1.355(6) . ? F11 C26 1.377(7) . ? F12 C27 1.324(7) . ? F13 C28 1.349(7) . ? F14 C29 1.341(7) . ? F15 C30 1.352(7) . ? C1 C3 1.497(7) . ? C1 C2 1.516(8) . ? C1 C4 1.528(7) . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? C3 H3A 0.9800 . ? C3 H3B 0.9800 . ? C3 H3C 0.9800 . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C4 H4C 0.9800 . ? C5 C7 1.492(8) . ? C5 C6 1.522(9) . ? C5 C8 1.527(8) . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 C10 1.499(8) . ? C9 C12 1.509(9) . ? C9 C11 1.528(8) . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 C14 1.344(8) . ? C13 C18 1.375(9) . ? C14 C15 1.365(8) . ? C15 C16 1.385(7) . ? C16 C17 1.382(7) . ? C17 C18 1.370(9) . ? C19 C20 1.371(7) . ? C19 C24 1.390(7) . ? C20 C21 1.377(7) . ? C21 C22 1.378(8) . ? C22 C23 1.349(8) . ? C23 C24 1.388(7) . ? C25 C26 1.367(9) . ? C25 C30 1.373(8) . ? C26 C27 1.388(8) . ? C27 C28 1.361(9) . ? C28 C29 1.367(9) . ? C29 C30 1.402(8) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 Mo1 O2 110.76(19) . . ? N1 Mo1 O1 108.8(2) . . ? O2 Mo1 O1 107.45(17) . . ? N1 Mo1 O3 110.27(19) . . ? O2 Mo1 O3 110.30(16) . . ? O1 Mo1 O3 109.21(16) . . ? B1 N1 Mo1 170.1(5) . . ? N1 B1 C25 107.2(5) . . ? N1 B1 C19 106.7(4) . . ? C25 B1 C19 112.9(5) . . ? N1 B1 C16 107.1(5) . . ? C25 B1 C16 112.1(5) . . ? C19 B1 C16 110.6(4) . . ? C1 O1 Mo1 149.3(4) . . ? C5 O2 Mo1 154.4(4) . . ? C9 O3 Mo1 156.7(4) . . ? O1 C1 C3 106.0(5) . . ? O1 C1 C2 108.6(5) . . ? C3 C1 C2 112.1(5) . . ? O1 C1 C4 105.4(4) . . ? C3 C1 C4 112.5(5) . . ? C2 C1 C4 111.7(5) . . ? C1 C2 H2A 109.5 . . ? C1 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? C1 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? C1 C3 H3A 109.5 . . ? C1 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? C1 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? C1 C4 H4A 109.5 . . ? C1 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? C1 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? O2 C5 C7 104.9(5) . . ? O2 C5 C6 108.9(5) . . ? C7 C5 C6 112.2(5) . . ? O2 C5 C8 106.9(5) . . ? C7 C5 C8 110.9(5) . . ? C6 C5 C8 112.6(6) . . ? C5 C6 H6A 109.5 . . ? C5 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C5 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C5 C7 H7A 109.5 . . ? C5 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C5 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? C5 C8 H8A 109.5 . . ? C5 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C5 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? O3 C9 C10 105.3(5) . . ? O3 C9 C12 107.7(4) . . ? C10 C9 C12 112.9(6) . . ? O3 C9 C11 105.2(5) . . ? C10 C9 C11 113.8(6) . . ? C12 C9 C11 111.3(6) . . ? C9 C10 H10A 109.5 . . ? C9 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C9 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C9 C11 H11A 109.5 . . ? C9 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C9 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C9 C12 H12A 109.5 . . ? C9 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C9 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? F1 C13 C14 121.6(7) . . ? F1 C13 C18 119.5(6) . . ? C14 C13 C18 118.9(6) . . ? C13 C14 F2 119.6(6) . . ? C13 C14 C15 120.9(6) . . ? F2 C14 C15 119.5(5) . . ? F5 C15 C14 116.2(5) . . ? F5 C15 C16 120.0(5) . . ? C14 C15 C16 123.8(5) . . ? C17 C16 C15 112.5(5) . . ? C17 C16 B1 121.6(5) . . ? C15 C16 B1 125.8(5) . . ? F3 C17 C18 115.6(5) . . ? F3 C17 C16 119.1(5) . . ? C18 C17 C16 125.3(6) . . ? F4 C18 C17 120.4(6) . . ? F4 C18 C13 121.0(6) . . ? C17 C18 C13 118.5(5) . . ? C20 C19 C24 112.5(5) . . ? C20 C19 B1 125.9(5) . . ? C24 C19 B1 121.6(5) . . ? F6 C20 C19 120.2(4) . . ? F6 C20 C21 113.5(5) . . ? C19 C20 C21 126.2(6) . . ? F7 C21 C20 122.5(6) . . ? F7 C21 C22 120.2(5) . . ? C20 C21 C22 117.3(5) . . ? C23 C22 F8 119.8(6) . . ? C23 C22 C21 120.8(5) . . ? F8 C22 C21 119.4(6) . . ? C22 C23 F9 121.3(5) . . ? C22 C23 C24 118.8(5) . . ? F9 C23 C24 119.8(5) . . ? F10 C24 C23 116.5(5) . . ? F10 C24 C19 119.1(4) . . ? C23 C24 C19 124.3(5) . . ? C26 C25 C30 113.2(6) . . ? C26 C25 B1 124.8(5) . . ? C30 C25 B1 122.0(5) . . ? C25 C26 F11 119.6(6) . . ? C25 C26 C27 126.2(6) . . ? F11 C26 C27 114.1(6) . . ? F12 C27 C28 120.5(6) . . ? F12 C27 C26 121.7(6) . . ? C28 C27 C26 117.7(6) . . ? F13 C28 C27 120.7(6) . . ? F13 C28 C29 119.3(7) . . ? C27 C28 C29 120.0(6) . . ? F14 C29 C28 120.6(6) . . ? F14 C29 C30 120.2(6) . . ? C28 C29 C30 119.2(7) . . ? F15 C30 C25 121.7(6) . . ? F15 C30 C29 114.6(6) . . ? C25 C30 C29 123.6(6) . . ? _diffrn_measured_fraction_theta_max 0.979 _diffrn_reflns_theta_full 25.45 _diffrn_measured_fraction_theta_full 0.979 _refine_diff_density_max 0.406 _refine_diff_density_min -0.468 _refine_diff_density_rms 0.075 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0.00 1.00 0.00 0.0680 0.00 -1.00 0.00 0.0430 -1.00 1.00 0.00 0.0930 1.00 -1.00 0.00 0.1160 1.00 0.00 0.00 0.1170 -1.00 0.00 0.00 0.0880 1.00 2.00 -1.00 0.2420 -1.00 2.00 -2.00 0.2540 1.00 0.00 2.00 0.2400 # SQUEEZE RESULTS (APPEND TO CIF) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 -0.000 -0.000 -0.017 143 54 ' ' 2 0.500 0.500 -0.017 143 54 ' ' 3 0.250 0.250 0.233 143 54 ' ' 4 0.750 0.750 0.233 143 54 ' ' 5 0.500 -0.000 0.483 143 54 ' ' 6 1.000 0.500 0.483 143 54 ' ' 7 0.750 0.250 0.733 143 54 ' ' 8 0.250 0.750 0.733 143 54 ' ' _platon_squeeze_details ; ; _publ_section_references ; Bruker (2004). APEX2. Bruker AXS, Inc., Madison, Wisconsin, USA. Bruker (2005). SAINT, SHELXTL, XCIF, XPREP. Bruker AXS, Inc., Madison, Wisconsin, USA. Bruker (2007). SADABS. Bruker AXS, Inc., Madison, Wisconsin, USA. Spek, A. L. and van der Sluis, P. (1990). Acta Cryst. A46, 194-201. ; _publ_section_figure_captions ; Figure 1. SHELXTL (Bruker, 2001) plot showing 35% probability ellipsoids for non-H atoms and circles of arbitrary size for H atoms. ; _publ_section_exptl_prep ; Crystals were grown by slow diffusion of pentane into a solution of the solid in dichloromethane at -30 deg. C. ; _publ_section_exptl_refinement ; A structural model consisting of the host molecule and a disordered pentane solvate molecule was developed. This model converged with wR2 = 0.0866 and R1 = 0.0718 for 469 parameters with 1 restraint against 6055 data. Since positions for the solvate molecule was poorly determined a second structural model was refined with contributions from the solvate molecules removed from the diffraction data using the bypass procedure in PLATON (Spek, 1990). No positions for the host network differed by more than two su's between these two refined models. The electron count from the "squeeze" model converged in good agreement with the number of solvate molecules predicted by the complete refinement. The "squeeze" data are reported here. H atoms were included as riding idealized contributors. Methyl H atom U's were assigned as 1.5 times carrier U~eq~. ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_acknowledgements ; This work was supported by the National Science Foundation under NSF Award Nos. CBET-0730667 and CHE-0642413. The Materials Chemistry Laboratory at the University of Illinois was supported in part by grants NSF CHE 95-03145 and NSF CHE 03-43032 from the National Science Foundation. ; 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 21 -11 2628.97 5281.16 3855.57 o 3 23 -11 3005.88 1700.99 3596.37 o 5 23 -11 5705.10 5426.96 3968.97 o 3 25 -11 569.43 16.20 3450.57 o 5 25 -11 4826.84 1004.39 3774.57 o 3 27 -11 10130.19 6787.74 4130.97 o 5 27 -11 2861.50 64.80 3466.77 o 3 29 -11 8977.25 5605.15 3952.77 o 3 31 -11 5788.44 8197.13 4422.56 o 14 0 -10 23037.05 9817.12 3952.77 o 12 2 -10 3482.98 3661.17 3110.37 o 14 2 -10 680.19 0.00 1916.72 o 14 4 -10 327.08 0.00 2494.78 o 14 6 -10 530.32 437.40 2899.78 o 14 8 -10 18541.39 23408.81 5102.96 o 2 16 -10 8876.65 5637.55 3337.17 o 4 16 -10 521.20 745.19 2786.38 o 2 18 -10 4287.51 32.40 2867.38 o 4 18 -10 22655.23 26357.19 5313.56 o 6 18 -10 7774.02 3482.97 3288.57 o 2 20 -10 1009.96 0.00 2753.98 o 4 20 -10 10621.13 4001.37 3337.17 o 6 20 -10 26.64 64.80 3191.37 o 8 20 -10 21479.27 22744.61 5135.36 o 2 22 -10 34275.92 42945.85 5945.35 o 4 22 -10 9036.81 5783.35 3758.37 o 6 22 -10 9132.35 5232.56 3693.57 o 8 22 -10 5034.45 1571.39 3450.57 o 2 24 -10 5665.52 3823.17 3256.17 o 4 24 -10 432.20 0.00 2672.98 o 6 24 -10 16281.06 20865.43 4762.76 o 8 24 -10 1433.85 48.60 2818.78 o 10 24 -10 14005.60 22793.21 5459.36 o 0 26 -10 54068.22 57331.33 6641.95 o 2 26 -10 18988.79 17090.86 4357.76 o 4 26 -10 14011.87 14061.49 4147.17 o 6 26 -10 10009.82 9995.32 4228.17 o 8 26 -10 10751.85 16086.47 4714.16 o 10 26 -10 7831.03 9946.72 4519.76 o 2 28 -10 2244.54 324.00 2899.78 o 4 28 -10 6258.62 4001.37 3677.37 o 6 28 -10 3371.82 4940.96 3482.97 o 8 28 -10 12476.96 13818.49 4746.56 o 10 28 -10 5617.82 2462.38 3855.57 o 0 30 -10 32969.26 29224.56 5410.76 o 2 30 -10 14940.56 16831.66 4487.36 o 4 30 -10 12764.41 7289.94 3839.37 o 6 30 -10 6811.00 4503.56 3563.97 o 8 30 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11793.78 16417.57 3138.76 o 17 1 -9 3231.61 4260.17 2324.61 o 13 3 -9 5350.94 9007.13 3272.37 o 15 3 -9 5660.75 10027.72 3725.97 o 17 3 -9 6901.65 8813.18 2673.85 o 11 5 -9 14009.28 8958.53 3418.17 o 13 5 -9 6732.08 6836.34 3337.17 o 15 5 -9 7230.18 4228.17 3126.57 o 17 5 -9 6065.41 8485.56 2786.38 o 11 7 -9 9943.78 1652.39 2753.98 o 13 7 -9 12079.46 7403.34 3369.57 o 15 7 -9 12631.50 12733.10 3936.57 o 17 7 -9 4551.34 2906.42 2316.58 o 11 9 -9 5473.41 0.00 2429.98 o 13 9 -9 18232.32 18532.65 4292.96 o 15 9 -9 4919.04 1182.59 3110.37 o 1 11 -9 22003.27 22258.62 4260.56 o 3 11 -9 4423.53 3839.37 2818.78 o 13 11 -9 4743.72 2316.58 2867.38 o 15 11 -9 10242.09 13818.49 4130.97 o 1 13 -9 8134.43 10448.91 3644.97 o 3 13 -9 12592.62 12490.10 3823.17 o 5 13 -9 3450.18 81.00 2316.58 o 13 13 -9 8449.66 14191.08 4017.57 o 15 13 -9 2906.67 3466.77 3256.17 o 1 15 -9 10057.14 5248.76 2948.38 o 3 15 -9 4838.49 6107.35 3207.57 o 5 15 -9 9119.94 17431.06 4179.57 o 7 15 -9 18000.96 7986.53 3466.77 o 13 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1150.19 3272.37 o 0 52 0 22420.48 22811.46 1984.87 o 2 52 0 61138.09 63006.73 2258.65 o 4 52 0 2899.37 1383.30 847.06 o 6 52 0 63435.62 64382.41 3054.30 o 8 52 0 1972.69 1415.59 1042.22 o 10 52 0 49.30 1225.58 1105.21 o 12 52 0 8674.31 9366.40 1605.11 o 14 52 0 1682.72 2618.72 1957.85 o 16 52 0 972.10 1859.90 2044.70 o 18 52 0 83.63 1133.99 3191.37 o 2 54 0 91.13 1524.55 829.34 o 4 54 0 41.20 702.22 827.46 o 6 54 0 5202.94 4028.37 1029.36 o 8 54 0 32966.60 29787.49 1812.43 o 10 54 0 12143.79 16187.85 1614.32 o 12 54 0 39678.11 41097.28 2710.05 o 14 54 0 601.78 735.54 1491.67 o 16 54 0 48807.70 44015.04 6447.55 o 18 54 0 3.79 453.60 3256.17 o 0 56 0 45850.39 43783.72 2919.97 o 2 56 0 9169.03 6870.76 1085.40 o 4 56 0 21449.06 24181.19 1619.01 o 6 56 0 26548.42 27228.67 1744.55 o 8 56 0 11820.20 11348.28 1288.87 o 10 56 0 3321.73 1809.36 1165.64 o 12 56 0 7393.69 7120.54 1807.47 o 14 56 0 11450.08 10428.79 2784.50 o 16 56 0 2844.11 0.00 2915.98 o 18 56 0 2678.06 275.40 3499.17 o 2 58 0 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77882.73 2738.21 o 7 25 5 37480.27 38608.04 2575.50 o 9 25 5 39173.19 39905.21 3752.89 o 11 25 5 1624.15 2799.85 1178.92 o 13 25 5 18996.88 18962.30 2374.22 o 15 25 5 9217.44 10502.63 2035.50 o 17 25 5 11225.90 9155.65 1893.61 o 19 25 5 13862.94 18210.21 3706.04 o 21 25 5 2820.14 7484.34 4714.16 o 1 27 5 6702.87 7738.30 974.56 o 3 27 5 78182.12 78270.52 2232.95 o 5 27 5 9491.75 9641.72 1331.62 o 7 27 5 49226.87 53122.86 2848.11 o 9 27 5 27272.84 28819.81 2017.13 o 11 27 5 5938.41 6926.17 1432.97 o 13 27 5 6575.06 6221.54 1827.87 o 15 27 5 19291.82 20402.26 2620.16 o 17 27 5 47068.78 48728.97 3590.79 o 19 27 5 2557.29 0.00 2525.65 o 21 27 5 6962.01 9298.72 4876.16 o 1 29 5 32191.85 34976.00 1737.54 o 3 29 5 68843.96 68298.19 2258.03 o 5 29 5 3678.50 2911.71 1254.54 o 7 29 5 45281.43 46888.33 2483.17 o 9 29 5 5956.44 4500.21 1268.12 o 11 29 5 40515.78 39150.28 2766.15 o 13 29 5 23425.70 29913.84 3461.14 o 15 29 5 2561.19 2055.04 1633.36 o 17 29 5 21102.37 19149.60 2630.38 o 19 29 5 2706.99 1443.74 2646.92 o 21 29 5 5129.80 3369.57 4390.16 o 1 31 5 16859.78 18307.45 1414.35 o 3 31 5 103429.99 100135.79 2790.77 o 5 31 5 64086.57 61214.68 2928.11 o 7 31 5 8793.26 8454.96 1533.21 o 9 31 5 35073.94 37142.24 2482.92 o 11 31 5 928.34 956.21 1157.93 o 13 31 5 15389.46 15461.71 2183.93 o 15 31 5 4741.94 8627.07 2136.52 o 17 31 5 481.41 2048.40 1566.44 o 19 31 5 9912.87 5422.28 3050.07 o 21 31 5 5010.60 1231.19 4357.76 o 1 33 5 42816.35 41166.18 1974.46 o 3 33 5 17867.09 19840.75 1369.98 o 5 33 5 37466.43 41358.66 2481.65 o 7 33 5 590.05 471.71 1068.08 o 9 33 5 27945.83 30888.37 2328.90 o 11 33 5 21706.88 22841.44 2590.78 o 13 33 5 5472.97 4801.33 1423.68 o 15 33 5 121.75 721.02 1555.20 o 17 33 5 3862.05 3822.21 2191.96 o 19 33 5 6066.01 4779.44 1994.31 o 1 35 5 44763.80 45408.75 2017.16 o 3 35 5 28994.80 30215.41 1703.79 o 5 35 5 17610.67 20679.40 2382.75 o 7 35 5 14265.52 14357.44 2078.70 o 9 35 5 4851.24 2761.99 1334.57 o 11 35 5 14311.45 14228.17 1823.85 o 13 35 5 4527.44 4316.46 1744.33 o 15 35 5 7610.93 11020.70 3252.10 o 17 35 5 17265.37 15780.19 2615.87 o 19 35 5 6282.38 5944.55 2409.19 o 1 37 5 11898.93 11010.84 1224.82 o 3 37 5 52970.96 50405.08 2099.34 o 5 37 5 11655.96 13102.10 1467.40 o 7 37 5 91685.89 88016.51 3632.71 o 9 37 5 3110.31 3880.06 1346.16 o 11 37 5 9980.76 12359.02 1749.55 o 13 37 5 7214.19 5749.83 1621.76 o 15 37 5 2570.31 4375.83 1826.15 o 17 37 5 12553.47 9782.33 2245.11 o 19 37 5 286.66 269.28 1924.54 o 1 39 5 23981.67 23931.94 1486.02 o 3 39 5 41082.45 42068.34 2284.12 o 5 39 5 27910.04 29989.14 3168.33 o 7 39 5 9498.45 7315.71 1421.32 o 9 39 5 13372.24 14616.94 1781.75 o 11 39 5 9736.49 8325.10 1677.11 o 13 39 5 1575.71 1397.61 1388.17 o 15 39 5 16471.22 17166.36 2156.21 o 17 39 5 6133.11 2306.57 1950.68 o 19 39 5 4682.40 3858.80 2140.89 o 1 41 5 81147.55 80398.30 2877.39 o 3 41 5 22951.75 22237.73 1944.53 o 5 41 5 45318.59 43280.54 3869.05 o 7 41 5 3418.40 3295.58 1364.66 o 9 41 5 23065.07 23049.40 2338.25 o 11 41 5 10396.35 11434.70 1861.25 o 13 41 5 16774.28 15098.68 2625.85 o 15 41 5 3066.64 1220.16 1410.09 o 17 41 5 2048.88 3061.00 2020.44 o 19 41 5 8907.61 4784.27 3216.30 o 1 43 5 61305.60 62631.77 2365.44 o 3 43 5 23845.98 25446.94 1611.76 o 5 43 5 36522.81 40008.88 2300.05 o 7 43 5 11367.27 10119.50 1623.08 o 9 43 5 7996.07 9433.18 1423.42 o 11 43 5 17244.72 15574.84 1889.34 o 13 43 5 809.50 1222.73 1263.92 o 15 43 5 2570.43 3794.41 1523.51 o 17 43 5 6247.99 9867.18 2428.31 o 19 43 5 7748.08 4811.36 4066.17 o 1 45 5 9573.38 10394.50 1406.66 o 3 45 5 54071.13 54676.87 2366.63 o 5 45 5 1220.01 712.96 1135.70 o 7 45 5 45486.85 46854.23 2615.88 o 9 45 5 2588.29 2945.74 1288.27 o 11 45 5 9863.95 11249.15 2341.53 o 13 45 5 3117.59 2305.28 1340.71 o 15 45 5 5481.18 6454.08 1666.28 o 17 45 5 2251.08 5078.91 2217.04 o 1 47 5 30996.57 29162.23 2103.77 o 3 47 5 3169.57 3500.50 1097.74 o 5 47 5 25508.41 23583.73 2402.77 o 7 47 5 17449.79 18131.17 3467.12 o 9 47 5 7605.00 10130.21 1854.36 o 11 47 5 13926.34 15183.58 1976.81 o 13 47 5 3275.95 3167.31 1444.99 o 15 47 5 6347.38 4587.84 1870.60 o 17 47 5 6652.45 5696.67 2363.26 o 1 49 5 1686.84 1620.49 1024.38 o 3 49 5 23585.98 22928.36 1724.10 o 5 49 5 21110.44 23920.33 2461.69 o 7 49 5 847.12 866.28 1199.51 o 9 49 5 17811.93 16219.38 2181.79 o 11 49 5 253.49 1332.58 1329.74 o 13 49 5 15834.30 21140.29 2234.12 o 15 49 5 4918.38 3834.42 1750.38 o 17 49 5 2864.65 842.60 1707.82 o 1 51 5 2114.78 3094.13 1183.68 o 3 51 5 141.81 772.19 1000.01 o 5 51 5 20903.06 22363.80 2355.10 o 7 51 5 32937.20 31534.52 2328.74 o 9 51 5 14609.22 12273.35 1824.64 o 11 51 5 10020.84 12255.28 1795.27 o 13 51 5 3131.78 3052.41 1478.66 o 15 51 5 3553.86 2321.19 1855.71 o 1 53 5 4036.88 4193.20 1286.87 o 3 53 5 21132.43 23617.57 1950.06 o 5 53 5 4108.68 5485.90 1583.71 o 7 53 5 41750.75 46457.27 2730.34 o 9 53 5 8995.33 7937.85 1639.93 o 11 53 5 15560.51 16025.02 1985.43 o 13 53 5 4051.80 5516.19 1704.68 o 15 53 5 2395.64 1900.46 1772.17 o 1 55 5 20149.12 22812.95 1854.09 o 3 55 5 34743.43 39203.30 2276.82 o 5 55 5 13932.70 15472.39 2282.13 o 7 55 5 17385.06 16061.73 1903.44 o 9 55 5 1661.91 1681.33 1381.28 o 11 55 5 10176.09 10105.25 1850.76 o 13 55 5 7633.04 9305.10 2127.50 o 15 55 5 4201.01 6228.80 2065.16 o 1 57 5 8145.62 6552.75 1349.96 o 3 57 5 5817.74 5721.22 1336.19 o 5 57 5 27770.03 25489.85 2563.51 o 7 57 5 1009.06 1903.43 1531.30 o 9 57 5 19768.24 17158.46 2154.30 o 11 57 5 546.01 1953.78 1479.56 o 13 57 5 9258.73 7058.77 2070.61 o 1 59 5 16545.03 15528.77 1688.70 o 3 59 5 8630.92 9435.24 1962.50 o 5 59 5 5676.65 5952.92 2190.94 o 7 59 5 8423.22 6391.17 2258.75 o 9 59 5 12097.87 11112.88 1818.81 o 11 59 5 6278.49 7795.66 1799.54 o 13 59 5 4742.68 4814.71 1959.58 o 1 61 5 3596.90 2782.45 1296.01 o 3 61 5 9397.82 6250.26 1589.82 o 5 61 5 1371.78 456.05 1460.94 o 7 61 5 12647.02 11848.25 2212.16 o 9 61 5 1297.26 2332.39 1543.02 o 11 61 5 18359.88 23339.83 3851.10 o 13 61 5 2306.57 55.98 2298.07 o 1 63 5 2778.41 2668.17 1341.39 o 3 63 5 8669.97 5995.46 1786.69 o 5 63 5 3576.65 5462.69 1866.99 o 7 63 5 7740.39 8615.08 2081.73 o 9 63 5 2939.53 4028.21 2348.93 o 11 63 5 4047.79 5458.36 2003.96 o 1 65 5 6726.14 9256.77 1589.67 o 3 65 5 4786.75 3716.00 1677.70 o 5 65 5 16121.33 19464.89 2522.63 o 7 65 5 1134.16 2981.58 1892.02 o 9 65 5 8139.29 6888.59 2669.00 o 1 67 5 6333.24 4901.53 1498.39 o 3 67 5 9396.66 9591.90 1906.68 o 5 67 5 8031.02 6689.86 2047.07 o 7 67 5 2178.76 4659.64 1875.36 o 9 67 5 6957.95 6145.70 2098.31 o 1 69 5 3638.46 3100.92 1441.76 o 3 69 5 6638.68 7109.95 1895.08 o 5 69 5 988.93 901.74 1668.10 o 7 69 5 6290.91 4838.11 2005.95 o 1 71 5 4502.13 3841.52 1504.41 o 3 71 5 8699.14 9622.36 2055.73 o 5 71 5 3050.14 5519.81 2091.81 o 1 73 5 573.26 1044.49 1431.65 o 3 73 5 3121.55 1069.19 3385.77 o 2 0 6 51584.33 52052.94 6431.35 o 6 0 6 77112.94 77333.10 4890.02 o 10 0 6 85561.16 85388.35 5532.25 o 14 0 6 12036.32 11194.11 3758.37 o 18 0 6 11218.36 11145.64 2622.04 o 0 2 6 83560.84 89990.27 4357.76 o 2 2 6 46286.73 49633.29 2180.21 o 4 2 6 100341.24 104216.84 4204.17 o 6 2 6 111586.41 107019.12 6162.09 o 8 2 6 28711.51 26302.59 2073.10 o 10 2 6 26355.69 29093.76 2346.31 o 12 2 6 2709.53 1716.99 1650.38 o 14 2 6 13591.94 10399.40 4715.44 o 16 2 6 2177.40 1868.55 1668.73 o 18 2 6 15825.12 14327.49 2028.03 o 2 4 6 12047.53 11027.56 1340.89 o 4 4 6 25625.17 24058.86 1850.23 o 6 4 6 5544.85 4195.99 1449.26 o 8 4 6 105491.52 105614.13 4087.29 o 10 4 6 10288.80 7971.00 1926.81 o 12 4 6 86889.25 88760.55 3882.94 o 14 4 6 10607.21 6871.64 1711.27 o 16 4 6 48485.41 55352.29 5425.24 o 18 4 6 6054.40 7379.23 1698.80 o 20 4 6 9484.36 3320.97 3742.17 o 0 6 6 43481.37 44393.63 3585.25 o 2 6 6 38244.16 35302.96 1627.57 o 4 6 6 34011.48 36392.29 2005.35 o 6 6 6 75355.66 76552.17 4045.17 o 8 6 6 32387.89 31589.51 2390.89 o 10 6 6 16134.23 18115.73 2116.12 o 12 6 6 32323.80 32971.96 2911.12 o 14 6 6 17035.50 14222.91 1956.75 o 16 6 6 4697.24 3870.00 1811.10 o 18 6 6 3247.49 1025.46 1705.40 o 20 6 6 6207.29 6577.15 3871.77 o 2 8 6 23487.63 22028.67 1449.61 o 4 8 6 39774.62 42462.72 1952.86 o 6 8 6 45827.36 46056.39 2946.74 o 8 8 6 589.85 1594.21 1179.94 o 10 8 6 155556.47 157530.84 5249.28 o 12 8 6 11028.87 10370.23 1667.57 o 14 8 6 51234.47 50762.17 3071.77 o 16 8 6 5895.09 7091.66 1758.61 o 18 8 6 34998.41 37897.05 3452.39 o 20 8 6 495.97 32.40 3029.38 o 0 10 6 25602.58 22539.93 2459.62 o 2 10 6 45604.71 47191.48 1860.38 o 4 10 6 89804.37 89303.53 3209.44 o 6 10 6 23439.96 25189.22 1992.19 o 8 10 6 15461.85 15022.82 2300.10 o 10 10 6 12838.66 17131.56 2317.26 o 12 10 6 2870.39 2525.30 1374.16 o 14 10 6 2792.86 2574.55 1406.45 o 16 10 6 185.35 420.53 1385.46 o 18 10 6 66.59 362.38 1475.25 o 20 10 6 11596.58 18646.05 5183.96 o 2 12 6 7004.82 6858.85 994.01 o 4 12 6 33085.80 35751.28 2452.84 o 6 12 6 12471.57 11757.31 1913.11 o 8 12 6 77315.33 80180.59 3357.82 o 10 12 6 727.66 698.06 1248.52 o 12 12 6 139370.61 137854.73 5057.46 o 14 12 6 920.84 467.61 1256.92 o 16 12 6 41612.43 46314.50 4150.66 o 18 12 6 221.90 1420.28 1553.37 o 20 12 6 13010.09 13283.89 4649.36 o 0 14 6 43467.06 41378.41 2249.93 o 2 14 6 93403.09 95305.73 2788.32 o 4 14 6 47580.52 45255.88 2357.24 o 6 14 6 83144.62 89829.27 4318.79 o 8 14 6 12534.74 11735.49 1759.50 o 10 14 6 23811.22 25277.55 2172.13 o 12 14 6 7404.44 5227.18 2198.74 o 14 14 6 774.38 1222.73 1397.31 o 16 14 6 119.84 2165.69 1507.51 o 18 14 6 7770.36 6614.40 1921.61 o 20 14 6 2347.84 1490.39 3515.37 o 2 16 6 33101.04 34360.41 2034.75 o 4 16 6 3600.73 4624.99 1000.34 o 6 16 6 13228.66 9908.10 2717.20 o 8 16 6 6753.63 3531.67 1411.58 o 10 16 6 120797.23 118722.05 6828.80 o 12 16 6 6058.18 5229.37 1479.66 o 14 16 6 62956.41 65781.05 3537.92 o 16 16 6 1775.68 2044.97 1548.71 o 18 16 6 33293.64 38233.85 3066.92 o 20 16 6 1275.03 32.40 3499.17 o 0 18 6 93570.22 102658.47 3324.52 o 2 18 6 35364.00 37156.11 1608.82 o 4 18 6 23886.01 22067.71 1702.16 o 6 18 6 1493.70 772.92 1006.97 o 8 18 6 31716.30 32219.12 2595.90 o 10 18 6 2661.46 3102.03 1501.13 o 12 18 6 11941.72 12522.43 2368.63 o 14 18 6 3501.41 4582.86 1594.68 o 16 18 6 2756.18 2146.89 1590.05 o 18 18 6 804.63 773.92 1588.25 o 20 18 6 8744.58 8877.70 3296.91 o 2 20 6 2213.63 1098.67 797.30 o 4 20 6 13473.04 13302.74 1410.60 o 6 20 6 21891.79 21794.04 1823.83 o 8 20 6 34606.51 32635.69 2634.00 o 10 20 6 583.48 1510.84 1325.30 o 12 20 6 113798.77 102950.16 4938.23 o 14 20 6 4199.19 3086.51 1543.39 o 16 20 6 31811.47 33018.04 3122.34 o 18 20 6 835.39 1684.17 1543.37 o 20 20 6 19110.17 21419.91 3959.35 o 0 22 6 75742.17 80523.05 4119.35 o 2 22 6 97276.33 96810.73 2829.09 o 4 22 6 40622.15 38025.21 2892.41 o 6 22 6 136122.83 143413.12 4823.77 o 8 22 6 4774.39 4582.39 1898.23 o 10 22 6 23064.71 22348.27 2430.82 o 12 22 6 8977.45 7559.47 2854.74 o 14 22 6 1595.24 579.63 1365.40 o 16 22 6 144.54 1360.63 1398.61 o 18 22 6 7240.26 10862.22 2044.65 o 20 22 6 2376.96 1085.39 2644.98 o 2 24 6 5862.93 7080.97 1139.85 o 4 24 6 4326.72 3029.67 1085.44 o 6 24 6 17298.98 16768.73 1680.64 o 8 24 6 16339.78 16757.09 1832.51 o 10 24 6 68141.12 74095.70 4014.70 o 12 24 6 1325.78 1281.19 1427.98 o 14 24 6 38115.46 44988.45 5609.48 o 16 24 6 6262.20 5079.74 1672.63 o 18 24 6 23814.30 21801.24 2536.00 o 20 24 6 1053.52 1999.56 2714.19 o 0 26 6 81060.12 78459.94 4082.63 o 2 26 6 74687.04 71078.67 2429.47 o 4 26 6 49294.87 44888.64 2897.09 o 6 26 6 34860.29 31304.93 3088.83 o 8 26 6 19915.95 23015.94 2046.07 o 10 26 6 2851.08 1971.42 1334.53 o 12 26 6 9619.11 10669.68 2050.34 o 14 26 6 13660.30 13303.00 2511.79 o 16 26 6 5642.41 2790.94 1640.16 o 18 26 6 1972.84 3416.96 1836.23 o 20 26 6 8700.08 5555.20 3030.99 o 2 28 6 9756.09 8967.33 1182.10 o 4 28 6 607.96 356.67 982.82 o 6 28 6 486.11 750.66 1018.23 o 8 28 6 22582.51 23323.82 3154.30 o 10 28 6 23902.40 22656.33 2523.50 o 12 28 6 26884.33 31062.43 2870.94 o 14 28 6 4623.12 3771.74 1713.02 o 16 28 6 25636.30 27024.53 3955.06 o 18 28 6 3835.59 4649.50 1808.08 o 20 28 6 12906.62 15582.65 3745.72 o 0 30 6 47261.43 46021.70 2859.44 o 2 30 6 21804.57 22420.10 1517.66 o 4 30 6 51075.93 51783.25 2623.87 o 6 30 6 32248.08 29173.38 2057.62 o 8 30 6 8169.29 8803.77 1473.45 o 10 30 6 10393.28 12522.35 2018.96 o 12 30 6 5288.77 2135.08 1626.25 o 14 30 6 311.16 1262.92 1660.09 o 16 30 6 2516.37 1608.86 1723.27 o 18 30 6 3069.01 4537.99 1876.71 o 20 30 6 8729.04 8239.99 2372.63 o 2 32 6 2843.48 2817.28 927.51 o 4 32 6 11343.75 10779.88 1606.50 o 6 32 6 8267.09 9857.87 2013.23 o 8 32 6 5034.42 5038.61 1367.93 o 10 32 6 50485.92 50392.98 2955.61 o 12 32 6 20718.31 18495.31 2459.32 o 14 32 6 51280.61 53495.92 3884.63 o 16 32 6 4982.85 3858.40 1966.90 o 18 32 6 32146.58 26907.37 3149.80 o 0 34 6 69413.00 61385.68 5611.93 o 2 34 6 48424.90 48256.54 2053.35 o 4 34 6 61015.44 65651.34 3084.47 o 6 34 6 7814.77 7709.27 1650.80 o 8 34 6 15749.65 16613.65 1831.52 o 10 34 6 859.91 1206.30 1214.60 o 12 34 6 9028.91 7111.21 1894.12 o 14 34 6 3700.97 2396.96 1710.43 o 16 34 6 513.39 581.21 1673.02 o 18 34 6 2657.28 3001.40 1984.44 o 2 36 6 8259.97 7287.98 1193.91 o 4 36 6 138.99 804.11 1187.80 o 6 36 6 8699.69 5789.12 2211.98 o 8 36 6 36421.35 34846.13 2604.28 o 10 36 6 5708.43 5068.54 1529.22 o 12 36 6 46076.50 48145.02 3603.79 o 14 36 6 2333.72 3723.68 2069.00 o 16 36 6 27424.32 27461.60 3187.95 o 18 36 6 2896.77 1579.82 2038.63 o 0 38 6 28396.29 27202.48 2669.39 o 2 38 6 56236.11 56983.61 2286.29 o 4 38 6 23985.35 20177.81 2135.86 o 6 38 6 50019.89 49489.92 3000.68 o 8 38 6 3951.56 5393.51 2272.78 o 10 38 6 8905.06 7920.55 1691.98 o 12 38 6 7955.99 8986.99 2028.01 o 14 38 6 3523.44 3270.18 2073.88 o 16 38 6 77.62 974.45 1748.31 o 18 38 6 2287.24 1495.93 2021.58 o 2 40 6 13936.78 16231.58 1458.20 o 4 40 6 16812.38 17063.42 1906.36 o 6 40 6 6740.90 5035.11 1679.74 o 8 40 6 7190.56 4861.92 1601.70 o 10 40 6 22395.54 21916.15 2331.56 o 12 40 6 4885.40 7739.28 1821.56 o 14 40 6 40006.98 37218.78 3430.62 o 16 40 6 1528.46 2135.88 1933.97 o 18 40 6 17560.55 15750.85 2811.16 o 0 42 6 67473.88 67390.05 4075.49 o 2 42 6 24400.22 24378.16 1833.13 o 4 42 6 56432.57 59923.73 4491.78 o 6 42 6 1816.02 3078.58 1484.24 o 8 42 6 8460.84 9226.39 1819.91 o 10 42 6 1696.00 1373.32 1360.22 o 12 42 6 7158.29 8225.35 1770.77 o 14 42 6 416.48 447.36 1801.52 o 16 42 6 144.73 1300.55 1828.49 o 2 44 6 3430.50 3922.22 1092.60 o 4 44 6 159.78 97.20 1128.51 o 6 44 6 3434.15 1904.94 1412.72 o 8 44 6 13884.42 18139.47 2089.56 o 10 44 6 1638.73 1101.25 1402.44 o 12 44 6 43748.23 44924.94 3251.72 o 14 44 6 767.71 2053.27 1854.04 o 16 44 6 15699.35 19347.73 2811.26 o 0 46 6 81072.78 74907.17 3754.55 o 2 46 6 50233.51 56498.92 2812.47 o 4 46 6 23.74 513.92 1331.30 o 6 46 6 34364.72 34117.89 2565.20 o 8 46 6 2562.18 2466.02 1412.39 o 10 46 6 18537.61 17487.29 2279.58 o 12 46 6 473.95 1428.00 1481.90 o 14 46 6 336.80 1714.50 1789.75 o 16 46 6 174.31 821.49 1809.29 o 2 48 6 49.42 170.45 1039.32 o 4 48 6 7109.24 9123.68 1729.41 o 6 48 6 17595.12 15080.27 2100.61 o 8 48 6 9031.64 6157.47 1492.87 o 10 48 6 24070.07 23610.33 2218.18 o 12 48 6 1283.80 1660.89 1495.43 o 14 48 6 20439.59 21574.20 2994.14 o 16 48 6 2415.40 2209.88 1939.71 o 0 50 6 42679.97 47122.41 3361.89 o 2 50 6 4604.81 4583.36 1278.25 o 4 50 6 74740.77 82929.46 3880.47 o 6 50 6 1799.51 681.48 1388.07 o 8 50 6 13570.63 15453.75 2924.17 o 10 50 6 1765.57 3214.52 1503.95 o 12 50 6 2663.17 2620.83 1537.87 o 14 50 6 132.72 561.10 1642.28 o 2 52 6 1251.90 740.69 1114.80 o 4 52 6 4334.79 3181.77 1576.57 o 6 52 6 3849.50 5778.94 1749.07 o 8 52 6 21422.73 23475.01 2363.06 o 10 52 6 4027.91 1821.67 1424.78 o 12 52 6 20840.42 21792.34 2337.49 o 14 52 6 3679.56 4240.56 1950.61 o 0 54 6 10006.61 12599.22 2157.86 o 2 54 6 21890.33 21266.32 2095.01 o 4 54 6 1741.31 2207.39 1597.38 o 6 54 6 9052.64 7534.83 2123.13 o 8 54 6 7850.57 1741.79 1656.81 o 10 54 6 12553.94 15290.24 2068.70 o 12 54 6 311.89 1143.74 1592.69 o 14 54 6 547.44 1321.28 1802.63 o 2 56 6 3875.81 4111.39 1879.52 o 4 56 6 961.48 712.75 1524.46 o 6 56 6 19600.80 18848.30 2463.27 o 8 56 6 398.97 1418.95 1604.98 o 10 56 6 28613.21 29346.21 2894.09 o 12 56 6 7739.00 7187.06 2537.00 o 0 58 6 22290.46 23087.86 5002.75 o 2 58 6 1111.32 620.83 1322.67 o 4 58 6 12897.32 12968.34 2180.92 o 6 58 6 1129.17 252.44 1585.58 o 8 58 6 9087.30 8005.52 2090.36 o 10 58 6 36.04 1506.92 1542.57 o 12 58 6 1332.09 3363.22 1872.26 o 2 60 6 1644.64 3640.80 1581.95 o 4 60 6 6127.66 5878.35 2009.82 o 6 60 6 2375.68 3624.61 1829.51 o 8 60 6 16041.51 18002.34 2490.48 o 10 60 6 3283.15 2562.84 1872.79 o 0 62 6 498.91 1470.31 1757.34 o 2 62 6 22261.75 23231.33 2345.53 o 4 62 6 1970.22 1951.24 1667.92 o 6 62 6 8868.08 5849.28 1950.67 o 8 62 6 1379.30 853.15 1716.31 o 10 62 6 5367.26 5418.72 2065.86 o 2 64 6 503.15 1098.25 1533.95 o 4 64 6 230.58 1383.77 1751.11 o 6 64 6 5628.33 8862.55 3185.05 o 8 64 6 1045.18 2072.43 1864.10 o 0 66 6 15510.50 13936.12 2647.70 o 2 66 6 1148.13 2121.29 1612.50 o 4 66 6 13647.85 17738.31 2560.49 o 6 66 6 183.15 976.12 1728.23 o 2 68 6 14.84 464.85 1561.33 o 4 68 6 2221.73 3197.19 1982.84 o 0 70 6 405.70 0.00 3158.97 o 1 1 7 52557.48 55326.67 3168.23 o 3 1 7 22438.45 22547.80 1915.96 o 5 1 7 56743.34 58105.68 3549.46 o 7 1 7 5818.88 6120.76 1478.37 o 9 1 7 103276.10 99816.71 5041.39 o 11 1 7 14529.93 12948.25 1942.29 o 13 1 7 9091.83 7138.57 2358.42 o 15 1 7 21397.06 26971.52 4425.17 o 17 1 7 8038.65 7518.93 2043.63 o 19 1 7 1244.09 2139.11 1645.09 o 21 1 7 539.06 489.88 2771.83 o 1 3 7 23448.34 23166.11 2399.23 o 3 3 7 81412.90 80123.91 3297.68 o 5 3 7 9273.25 10702.32 1614.41 o 7 3 7 50847.09 50595.03 2977.22 o 9 3 7 5117.99 5211.45 1526.07 o 11 3 7 21711.00 18133.84 2559.13 o 13 3 7 33141.62 37250.09 2939.20 o 15 3 7 8739.05 7776.25 2096.62 o 17 3 7 4761.67 5305.77 1724.85 o 19 3 7 14196.11 8558.43 1929.25 o 21 3 7 6001.01 6209.31 3273.98 o 1 5 7 17347.85 19745.29 1827.46 o 3 5 7 87941.68 89125.86 3525.76 o 5 5 7 29000.64 29165.85 2367.35 o 7 5 7 77648.34 81128.34 3628.79 o 9 5 7 6187.89 6635.29 1573.27 o 11 5 7 10870.29 10568.33 1829.91 o 13 5 7 10233.71 13119.75 1907.50 o 15 5 7 6630.87 6942.87 1795.71 o 17 5 7 4521.55 1923.09 1812.56 o 19 5 7 70.52 344.28 1503.82 o 1 7 7 93993.86 92356.51 2683.52 o 3 7 7 8891.39 7856.93 1785.40 o 5 7 7 47912.24 48008.95 3217.43 o 7 7 7 2352.54 3699.37 1180.27 o 9 7 7 12070.45 14628.14 2625.85 o 11 7 7 16673.58 18811.66 2149.99 o 13 7 7 24315.75 22172.04 2488.63 o 15 7 7 14094.27 15432.23 2224.33 o 17 7 7 12977.95 10617.93 2460.67 o 19 7 7 11444.00 10221.91 2013.39 o 1 9 7 70493.55 68518.06 2158.38 o 3 9 7 8305.68 6911.71 1452.05 o 5 9 7 64129.77 59654.12 2632.33 o 7 9 7 20644.96 23455.96 2225.50 o 9 9 7 18252.82 17949.60 2873.71 o 11 9 7 3115.63 1950.48 1327.20 o 13 9 7 9753.71 7524.19 1784.70 o 15 9 7 22219.06 26316.60 3254.84 o 17 9 7 1237.21 3026.11 1847.06 o 19 9 7 8181.93 9631.39 2477.22 o 1 11 7 14599.71 13946.69 1208.05 o 3 11 7 131296.59 125959.10 4509.89 o 5 11 7 608.41 1258.60 1124.99 o 7 11 7 41969.89 38382.27 3083.19 o 9 11 7 2608.08 4543.97 1410.73 o 11 11 7 15.25 833.96 1265.25 o 13 11 7 13052.24 11803.84 2450.49 o 15 11 7 10176.06 12646.86 2073.63 o 17 11 7 9355.68 9145.04 2062.94 o 19 11 7 4197.02 3809.84 2078.74 o 1 13 7 12539.57 14001.24 2222.42 o 3 13 7 47520.62 47189.76 2951.26 o 5 13 7 11370.94 12399.03 1688.03 o 7 13 7 77873.74 79735.29 3672.78 o 9 13 7 8155.02 6539.09 2752.12 o 11 13 7 7083.14 6414.07 1616.75 o 13 13 7 9661.20 7054.66 1799.92 o 15 13 7 16535.64 13841.96 2145.65 o 17 13 7 15324.55 19839.72 2486.31 o 19 13 7 884.63 209.21 1917.05 o 1 15 7 49590.22 49722.49 2284.53 o 3 15 7 8727.79 8453.39 1632.01 o 5 15 7 88624.63 88914.71 4798.16 o 7 15 7 1881.62 1237.65 1204.04 o 9 15 7 33104.76 29675.50 2769.26 o 11 15 7 4868.89 2982.31 1376.79 o 13 15 7 17433.77 19517.51 2941.52 o 15 15 7 7003.27 7907.66 1881.87 o 17 15 7 14875.51 15330.89 2305.51 o 19 15 7 3257.18 4580.78 1924.11 o 1 17 7 40170.09 40629.31 1947.87 o 3 17 7 17785.19 18780.47 2450.49 o 5 17 7 87862.35 90109.46 5740.34 o 7 17 7 14269.74 17391.07 2172.24 o 9 17 7 13741.63 15440.47 3381.68 o 11 17 7 7212.59 4943.68 1578.60 o 13 17 7 22675.56 24836.42 2485.82 o 15 17 7 8985.49 7934.27 1953.89 o 17 17 7 2780.04 138.24 1653.74 o 19 17 7 11587.10 11406.18 2294.05 o 1 19 7 10967.72 12459.04 1303.90 o 3 19 7 44051.51 47268.82 2400.96 o 5 19 7 10432.68 6395.98 2639.18 o 7 19 7 65441.59 67875.74 3796.56 o 9 19 7 9364.31 10380.62 1974.71 o 11 19 7 10029.70 8938.86 1743.89 o 13 19 7 15283.07 12101.46 2043.84 o 15 19 7 10123.94 10544.97 2063.07 o 17 19 7 10547.53 7671.08 1983.81 o 19 19 7 5105.16 6613.72 2108.81 o 1 21 7 3748.45 2937.94 964.77 o 3 21 7 43695.17 44418.72 2518.86 o 5 21 7 29097.30 28954.36 2502.65 o 7 21 7 82735.58 85996.36 4193.79 o 9 21 7 20212.25 25167.38 2587.74 o 11 21 7 13993.13 13056.98 2157.24 o 13 21 7 7394.28 4252.92 1641.36 o 15 21 7 6581.49 5119.88 1810.99 o 17 21 7 13358.13 16662.29 2880.72 o 19 21 7 1263.54 2841.69 1940.61 o 1 23 7 22601.12 25540.79 1493.49 o 3 23 7 5809.39 6236.60 1341.50 o 5 23 7 26917.20 25529.90 2573.82 o 7 23 7 3237.05 3124.79 1597.76 o 9 23 7 43465.86 44165.70 3265.53 o 11 23 7 3289.18 3870.46 1711.81 o 13 23 7 14845.85 19279.95 2642.22 o 15 23 7 10551.35 9756.73 2061.07 o 17 23 7 16979.94 20759.79 2601.05 o 19 23 7 2002.18 1543.34 1803.39 o 1 25 7 19381.10 19845.04 1395.92 o 3 25 7 7078.66 7349.69 1437.46 o 5 25 7 76884.04 76342.35 3374.14 o 7 25 7 6184.28 10144.22 1826.29 o 9 25 7 31016.30 33915.84 2934.99 o 11 25 7 8770.80 7778.19 1902.59 o 13 25 7 7925.59 7152.65 1925.16 o 15 25 7 3515.08 3609.62 1877.61 o 17 25 7 3938.74 1842.04 1763.10 o 19 25 7 12089.64 13941.85 2416.13 o 1 27 7 9902.50 10766.93 1813.62 o 3 27 7 44103.38 44497.78 2631.11 o 5 27 7 12500.09 16137.83 2300.84 o 7 27 7 34639.29 33572.11 3434.10 o 9 27 7 1039.37 75.59 1319.96 o 11 27 7 14653.84 13967.51 2243.19 o 13 27 7 23343.23 25976.00 2893.21 o 15 27 7 7903.57 7119.89 2247.06 o 17 27 7 8484.18 5975.55 1953.31 o 19 27 7 8784.89 9222.47 2993.93 o 1 29 7 16403.44 18843.71 1847.42 o 3 29 7 18361.46 23310.83 2847.99 o 5 29 7 10938.74 9695.42 2469.19 o 7 29 7 51101.84 46465.91 3333.69 o 9 29 7 3960.78 5069.28 1677.04 o 11 29 7 11802.98 12427.79 3200.36 o 13 29 7 9432.49 10505.07 2567.71 o 15 29 7 3965.73 3521.68 2433.77 o 17 29 7 8604.96 5993.68 1962.79 o 1 31 7 36185.32 36440.75 2269.91 o 3 31 7 3867.70 3737.23 1876.19 o 5 31 7 44155.78 46479.31 2720.90 o 7 31 7 5152.55 7085.36 1596.49 o 9 31 7 3386.36 3347.91 1557.46 o 11 31 7 21162.96 21848.85 4113.48 o 13 31 7 2127.00 3799.57 1810.75 o 15 31 7 8412.89 6779.25 2701.57 o 17 31 7 5523.06 5079.91 1964.27 o 1 33 7 30799.47 28079.64 1830.76 o 3 33 7 5576.25 5552.77 1474.49 o 5 33 7 41403.90 44261.41 4220.54 o 7 33 7 3630.62 3622.36 1468.05 o 9 33 7 39898.08 38282.45 6024.84 o 11 33 7 324.65 0.00 1419.30 o 13 33 7 15420.99 16933.60 2547.96 o 15 33 7 7739.74 7739.77 2218.23 o 17 33 7 3563.44 4294.98 2967.24 o 1 35 7 36389.62 41910.11 2530.85 o 3 35 7 46626.75 48704.98 4124.67 o 5 35 7 8046.49 11404.47 1643.17 o 7 35 7 14212.44 14444.63 1972.47 o 9 35 7 3852.94 5855.34 1907.07 o 11 35 7 1214.97 1759.84 1659.49 o 13 35 7 9363.45 8989.65 5131.56 o 15 35 7 3199.98 3363.22 1954.43 o 17 35 7 12331.20 11195.50 3268.18 o 1 37 7 11847.39 10505.98 1418.21 o 3 37 7 21139.45 24193.48 2434.12 o 5 37 7 520.86 486.58 1304.05 o 7 37 7 21274.67 24694.98 2205.27 o 9 37 7 1073.92 1065.77 1469.26 o 11 37 7 21934.27 20580.58 3044.81 o 13 37 7 5412.65 3562.42 2111.18 o 15 37 7 8623.90 8854.43 2329.44 o 17 37 7 12529.17 11968.11 2548.08 o 1 39 7 8870.00 8488.29 1298.23 o 3 39 7 7379.58 9123.92 1688.33 o 5 39 7 39486.82 41041.38 2827.07 o 7 39 7 18556.95 20741.00 2409.89 o 9 39 7 4383.09 7188.56 1635.58 o 11 39 7 13802.22 17848.68 2668.24 o 13 39 7 2379.19 2070.75 1866.66 o 15 39 7 3667.56 4091.62 1998.90 o 1 41 7 8371.40 7946.11 1338.41 o 3 41 7 9484.60 8997.14 2327.10 o 5 41 7 17701.99 19740.76 2195.41 o 7 41 7 2896.05 2042.99 1455.39 o 9 41 7 26351.75 27732.69 2498.52 o 11 41 7 1216.51 16.20 1623.36 o 13 41 7 7157.53 9273.03 2305.68 o 15 41 7 4047.41 2561.71 2241.87 o 1 43 7 33475.71 37088.34 2663.67 o 3 43 7 19139.04 23350.94 2278.46 o 5 43 7 6975.48 11791.75 1999.51 o 7 43 7 12824.73 15111.80 2535.44 o 9 43 7 16438.53 15474.96 2068.19 o 11 43 7 2914.89 4614.71 1819.64 o 13 43 7 7076.99 4432.72 2121.32 o 15 43 7 5540.08 7254.56 2439.89 o 1 45 7 5986.28 7670.25 1297.84 o 3 45 7 29062.62 24996.27 2381.19 o 5 45 7 6248.70 5406.88 1614.16 o 7 45 7 20191.47 19386.99 2873.71 o 9 45 7 1798.38 522.61 1488.86 o 11 45 7 17039.70 20147.42 2810.88 o 13 45 7 1307.97 1777.51 1897.24 o 15 45 7 5247.46 3969.73 2193.91 o 1 47 7 2302.63 1213.69 1230.16 o 3 47 7 9339.84 13030.30 1996.63 o 5 47 7 4647.85 3915.34 1557.92 o 7 47 7 9390.25 10640.69 2123.13 o 9 47 7 16486.17 17785.00 2379.20 o 11 47 7 4485.88 3808.44 1789.74 o 13 47 7 2227.01 2584.86 1962.65 o 1 49 7 13797.89 17965.72 2041.39 o 3 49 7 2158.13 1061.10 1433.05 o 5 49 7 20595.85 24207.87 3588.40 o 7 49 7 1058.50 3156.13 3291.43 o 9 49 7 8323.56 5646.28 2370.98 o 11 49 7 5241.70 3857.02 1817.38 o 13 49 7 6383.70 6973.78 2337.16 o 1 51 7 16370.11 17088.44 2201.80 o 3 51 7 13700.89 9242.01 2104.42 o 5 51 7 8052.85 5559.29 1959.45 o 7 51 7 11742.01 11418.08 2110.80 o 9 51 7 7325.75 5931.06 1933.14 o 11 51 7 1465.21 2747.54 1595.07 o 13 51 7 5378.98 8984.32 2511.27 o 1 53 7 6329.98 9326.56 1811.54 o 3 53 7 8591.17 5515.53 1774.95 o 5 53 7 181.05 1173.19 1538.90 o 7 53 7 16094.48 18850.30 2492.57 o 9 53 7 7380.15 5321.30 1909.19 o 11 53 7 15244.19 13132.19 2401.55 o 1 55 7 6801.15 7535.04 1709.44 o 3 55 7 4185.18 806.60 1523.26 o 5 55 7 17110.30 13768.81 2300.84 o 7 55 7 9424.03 12314.90 2824.61 o 9 55 7 1812.15 1015.37 1655.98 o 11 55 7 3722.43 2859.24 1854.82 o 1 57 7 5888.62 6473.37 1694.96 o 3 57 7 5802.78 4339.44 1884.74 o 5 57 7 6563.65 7406.70 2033.63 o 7 57 7 336.92 102.74 1736.96 o 9 57 7 18088.83 16900.56 2502.56 o 1 59 7 6259.23 5437.98 1732.94 o 3 59 7 13676.58 12136.16 2473.16 o 5 59 7 3828.72 2050.71 1679.08 o 7 59 7 6678.19 8794.14 2186.07 o 9 59 7 4213.46 4103.77 2990.62 o 1 61 7 4873.58 4083.62 1704.24 o 3 61 7 6486.19 7015.85 2063.18 o 5 61 7 4781.89 1799.42 1827.82 o 7 61 7 9705.40 6073.82 2202.81 o 1 63 7 6387.82 8703.08 1955.67 o 3 63 7 5295.11 4468.50 1987.18 o 5 63 7 6362.12 5854.92 2826.94 o 1 65 7 2021.96 4015.49 1999.20 o 3 65 7 633.39 1236.63 2226.28 o 0 0 8 104923.23 102577.56 9412.12 o 4 0 8 80092.30 87495.48 8780.33 o 8 0 8 115786.62 112700.19 6656.39 o 12 0 8 21669.71 16399.68 3304.87 o 16 0 8 11.53 4181.67 2369.93 o 2 2 8 7546.94 6657.21 2464.68 o 4 2 8 4663.54 3787.51 1786.91 o 6 2 8 7293.34 8696.42 1905.67 o 8 2 8 12172.29 13893.86 2024.89 o 10 2 8 27716.09 28254.86 2682.54 o 12 2 8 49474.13 44530.43 3201.86 o 14 2 8 13699.53 9770.57 2917.70 o 16 2 8 12297.43 10848.00 2048.98 o 18 2 8 7111.96 4524.33 2490.24 o 0 4 8 453.58 667.95 2095.24 o 2 4 8 91905.78 101529.70 6208.34 o 4 4 8 10332.82 9685.94 2688.49 o 6 4 8 76209.16 79313.23 3735.60 o 8 4 8 10810.97 9752.00 1999.15 o 10 4 8 34110.97 37756.02 3530.11 o 12 4 8 1267.47 2009.19 1551.93 o 14 4 8 5499.76 4830.01 1733.83 o 16 4 8 2058.97 1213.51 1826.68 o 18 4 8 5636.15 6710.40 1958.07 o 2 6 8 2367.03 243.00 2044.12 o 4 6 8 23086.25 26389.72 2854.41 o 6 6 8 1720.09 1420.67 1324.37 o 8 6 8 9376.21 7075.63 1712.90 o 10 6 8 34138.60 32747.78 2757.27 o 12 6 8 31221.68 31205.33 2800.70 o 14 6 8 12090.09 9230.54 2501.93 o 16 6 8 19872.08 21722.93 2998.43 o 18 6 8 8112.68 6760.44 1952.46 o 0 8 8 85587.48 101043.21 9834.96 o 2 8 8 1752.47 1212.10 1513.08 o 4 8 8 35991.87 37109.62 2419.92 o 6 8 8 4890.13 3436.31 1498.82 o 8 8 8 20497.77 26942.65 4487.10 o 10 8 8 2706.52 3018.79 1446.95 o 12 8 8 13842.61 14568.77 2161.24 o 14 8 8 615.57 893.66 1581.71 o 16 8 8 2576.41 5783.15 1958.18 o 18 8 8 60.33 379.88 1869.35 o 2 10 8 19682.60 20997.47 2073.76 o 4 10 8 7522.59 4557.63 1473.10 o 6 10 8 22488.19 20315.14 2114.73 o 8 10 8 18804.11 14955.51 2058.81 o 10 10 8 21970.31 19863.68 2269.58 o 12 10 8 19582.41 19921.95 3596.23 o 14 10 8 21558.52 23851.11 2669.22 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2181.28 o 18 22 8 5016.27 5509.71 4179.57 o 0 24 8 87287.07 90018.83 4112.37 o 2 24 8 1463.83 1926.39 1359.09 o 4 24 8 36143.37 35201.80 2835.23 o 6 24 8 8914.12 11772.53 2078.17 o 8 24 8 36676.77 39130.45 3284.83 o 10 24 8 3025.82 1554.61 1642.02 o 12 24 8 6653.63 6541.57 1728.77 o 14 24 8 121.65 707.22 1609.86 o 16 24 8 300.20 3407.61 1825.65 o 2 26 8 16403.03 17372.93 2946.19 o 4 26 8 1205.29 103.69 1395.25 o 6 26 8 5611.16 6279.31 1849.88 o 8 26 8 3764.62 4059.98 1769.02 o 10 26 8 18926.97 23111.58 2826.16 o 12 26 8 5362.88 4127.60 1650.65 o 14 26 8 27415.29 32566.48 2994.63 o 16 26 8 3238.59 3772.54 1903.75 o 0 28 8 9262.33 9381.36 2011.88 o 2 28 8 69640.55 77221.18 3524.83 o 4 28 8 1691.27 97.20 1370.63 o 6 28 8 49492.74 51365.89 9147.84 o 8 28 8 7538.45 9547.87 2044.53 o 10 28 8 12133.41 9628.09 2150.43 o 12 28 8 2851.42 3024.54 2396.78 o 14 28 8 347.17 1345.07 1753.27 o 16 28 8 237.53 1019.28 1660.93 o 2 30 8 2419.17 3633.78 1653.14 o 4 30 8 5527.20 6374.38 1749.87 o 6 30 8 2090.42 97.20 1422.73 o 8 30 8 52901.97 49625.80 3889.57 o 10 30 8 2973.67 5327.81 2267.64 o 12 30 8 17985.89 18640.11 3060.91 o 14 30 8 6685.06 5206.15 1985.16 o 16 30 8 20122.56 19011.26 3488.46 o 0 32 8 101803.34 108199.58 4861.17 o 2 32 8 7853.24 5787.85 1532.05 o 4 32 8 25012.62 24754.54 2353.05 o 6 32 8 3423.79 1582.90 1617.81 o 8 32 8 10914.32 15443.88 2292.89 o 10 32 8 1972.84 3692.83 1936.08 o 12 32 8 950.03 1736.56 1769.43 o 14 32 8 405.52 525.29 1557.18 o 16 32 8 2228.80 3957.06 1996.43 o 2 34 8 7341.65 7030.15 1620.59 o 4 34 8 4568.44 4609.45 1556.49 o 6 34 8 16529.89 13536.75 2353.65 o 8 34 8 3501.72 1053.31 1698.25 o 10 34 8 12692.85 12252.45 2337.12 o 12 34 8 2565.76 751.23 1776.62 o 14 34 8 30751.52 33363.58 4870.31 o 0 36 8 9603.60 6707.17 1837.99 o 2 36 8 50559.50 50707.39 3806.67 o 4 36 8 6462.06 3965.02 1559.25 o 6 36 8 23463.78 26188.01 4145.03 o 8 36 8 1492.74 1153.68 1502.33 o 10 36 8 5803.43 4967.22 1940.19 o 12 36 8 1313.03 1133.13 1552.26 o 14 36 8 490.24 2090.95 2111.48 o 2 38 8 5869.04 7374.87 1661.39 o 4 38 8 4237.75 5393.62 1689.12 o 6 38 8 4398.69 1407.20 1335.67 o 8 38 8 25104.21 20588.83 2761.01 o 10 38 8 1611.01 286.14 1582.21 o 12 38 8 15526.06 15049.66 2580.92 o 14 38 8 3370.21 3088.63 2143.43 o 0 40 8 92575.15 93312.22 4646.29 o 2 40 8 4027.98 2704.04 1497.06 o 4 40 8 32201.71 31021.14 2618.26 o 6 40 8 4974.07 4004.90 1905.67 o 8 40 8 23703.50 21209.14 2887.50 o 10 40 8 2075.01 1026.44 1718.27 o 12 40 8 1434.03 857.54 1878.98 o 14 40 8 79.10 2402.48 1801.30 o 2 42 8 4420.95 3179.17 1541.00 o 4 42 8 1932.77 924.46 1468.41 o 6 42 8 32456.94 33186.64 2694.49 o 8 42 8 9510.01 9363.05 2252.97 o 10 42 8 20843.28 19541.50 2902.62 o 12 42 8 944.85 16.20 1603.89 o 0 44 8 13930.16 14090.95 3280.05 o 2 44 8 25146.29 28272.01 2617.28 o 4 44 8 2573.65 3118.15 1558.30 o 6 44 8 26411.05 23435.19 2759.74 o 8 44 8 2725.60 2172.09 1797.22 o 10 44 8 4136.93 5141.25 2112.60 o 12 44 8 446.71 810.09 1479.84 o 2 46 8 122.36 1038.15 1540.16 o 4 46 8 10249.79 10292.87 2204.35 o 6 46 8 11478.81 8886.46 2082.75 o 8 46 8 7131.04 6447.86 2148.84 o 10 46 8 5911.73 3603.35 2022.08 o 12 46 8 11933.97 14523.42 4587.80 o 0 48 8 34302.45 36896.09 4362.16 o 2 48 8 2930.37 2955.21 1701.73 o 4 48 8 16721.14 17624.97 2421.35 o 6 48 8 3742.90 4116.11 1794.60 o 8 48 8 15462.23 17109.67 2459.18 o 10 48 8 9155.07 6011.67 2897.77 o 2 50 8 2828.41 3191.74 1717.91 o 4 50 8 3070.44 1475.63 1631.87 o 6 50 8 4980.71 3769.09 1850.49 o 8 50 8 2984.87 4500.96 1946.08 o 10 50 8 11239.21 14415.57 2681.23 o 0 52 8 5628.19 7832.99 2990.75 o 2 52 8 21082.21 22412.61 2568.09 o 4 52 8 2271.74 4490.93 1943.09 o 6 52 8 8463.59 9806.49 2101.80 o 8 52 8 3316.35 3073.41 1948.62 o 2 54 8 751.20 915.94 1631.21 o 4 54 8 5034.66 3551.89 1928.70 o 6 54 8 2348.52 3043.93 1783.03 o 8 54 8 13467.37 16197.99 2946.19 o 0 56 8 11842.91 15713.87 5038.16 o 2 56 8 3098.78 4014.93 2576.75 o 4 56 8 20850.40 20066.18 2577.71 o 6 56 8 6213.15 6923.92 2038.37 o 2 58 8 229.01 385.54 1731.72 o 4 58 8 1582.76 2393.33 1896.22 o 0 60 8 7251.92 3855.57 4778.96 o 2 60 8 8534.35 11441.50 3111.12 o 1 1 9 30577.00 33501.30 3893.90 o 3 1 9 3496.81 3789.58 2566.13 o 5 1 9 7980.90 8719.10 2932.42 o 7 1 9 4176.44 7956.51 2315.69 o 9 1 9 31809.78 35753.01 2900.72 o 11 1 9 11733.70 11305.08 3233.80 o 13 1 9 14810.69 12908.08 2561.96 o 15 1 9 11885.05 9366.14 2647.65 o 17 1 9 3360.55 1978.82 1811.98 o 1 3 9 10483.60 12665.53 3055.74 o 3 3 9 4614.31 3993.83 3774.57 o 5 3 9 2476.30 2349.58 2612.05 o 7 3 9 6597.52 6777.95 2297.40 o 9 3 9 14808.67 15112.32 2625.78 o 11 3 9 14804.75 18725.17 2894.75 o 13 3 9 5590.68 2997.15 2137.16 o 15 3 9 5434.63 4544.67 1762.99 o 17 3 9 6959.26 5059.28 2430.86 o 1 5 9 4985.64 7237.17 2606.36 o 3 5 9 21185.88 19900.48 5572.75 o 5 5 9 1026.51 991.20 1643.95 o 7 5 9 37386.78 39685.52 3011.80 o 9 5 9 4802.00 4223.89 1994.53 o 11 5 9 15098.83 16915.44 3006.99 o 13 5 9 7210.31 8982.29 2119.05 o 15 5 9 7156.53 10041.30 2547.90 o 17 5 9 6094.89 5164.31 1983.03 o 1 7 9 18502.27 19860.59 2564.79 o 3 7 9 21915.39 29242.96 2856.95 o 5 7 9 9887.30 11069.30 2257.85 o 7 7 9 31720.16 32111.00 2796.11 o 9 7 9 21692.78 27357.10 4422.92 o 11 7 9 10572.04 9276.64 2346.96 o 13 7 9 11316.70 11439.50 2192.60 o 15 7 9 12656.03 9347.83 2209.43 o 17 7 9 4663.56 3600.92 3081.15 o 1 9 9 33979.11 35885.95 3103.02 o 3 9 9 10303.05 13548.47 3632.52 o 5 9 9 12763.35 15564.57 2983.61 o 7 9 9 3183.70 3218.55 1596.79 o 9 9 9 36560.67 37884.88 3280.99 o 11 9 9 5846.47 7365.07 1894.34 o 13 9 9 17950.27 19909.37 2496.68 o 15 9 9 4954.58 8423.74 2082.47 o 1 11 9 21983.22 23034.42 3023.71 o 3 11 9 4969.80 9534.07 2082.94 o 5 11 9 9734.34 10162.97 1898.06 o 7 11 9 8227.71 7039.00 2815.25 o 9 11 9 10326.26 7651.38 1884.84 o 11 11 9 22902.21 26539.46 2757.97 o 13 11 9 4642.27 3485.73 1718.82 o 15 11 9 10108.86 11812.41 2299.21 o 1 13 9 8238.91 6622.95 1956.05 o 3 13 9 12741.05 13103.35 2268.43 o 5 13 9 3450.58 3757.83 1552.83 o 7 13 9 22564.71 27539.92 4772.96 o 9 13 9 11988.54 11557.49 4356.16 o 11 13 9 16820.90 19686.04 3285.24 o 13 13 9 9094.12 9987.90 3203.40 o 15 13 9 2848.11 3682.18 1897.98 o 1 15 9 10189.32 10387.49 2830.19 o 3 15 9 4574.44 4800.96 2666.57 o 5 15 9 10095.19 10419.47 2314.87 o 7 15 9 17663.46 20266.79 2698.34 o 9 15 9 2385.86 2992.87 1576.05 o 11 15 9 4661.26 3899.47 1722.43 o 13 15 9 8447.38 9167.54 2095.55 o 15 15 9 8797.11 12265.92 3053.00 o 1 17 9 19988.86 21947.91 2527.17 o 3 17 9 7383.18 10529.02 1844.15 o 5 17 9 7652.45 9839.12 1828.16 o 7 17 9 1291.42 2733.82 1678.64 o 9 17 9 14695.36 14587.28 3194.05 o 11 17 9 11203.42 11913.21 2094.31 o 13 17 9 10317.26 8402.95 2017.71 o 15 17 9 11627.96 13770.10 2950.87 o 1 19 9 28447.38 32021.22 2844.38 o 3 19 9 6404.66 9398.37 1818.44 o 5 19 9 8422.55 6852.79 1678.76 o 7 19 9 2594.18 906.70 1444.14 o 9 19 9 12197.46 13136.13 2051.63 o 11 19 9 10895.37 13391.66 2232.92 o 13 19 9 9645.84 7087.81 2225.91 o 15 19 9 7201.70 7393.53 2231.04 o 1 21 9 4473.39 8461.74 2252.54 o 3 21 9 13322.23 13884.07 2681.97 o 5 21 9 5353.94 7479.60 1846.97 o 7 21 9 9220.80 8519.86 2602.47 o 9 21 9 3769.32 4087.45 1743.37 o 11 21 9 14545.53 13605.94 2270.04 o 13 21 9 10471.75 9247.97 2172.87 o 15 21 9 6390.23 4461.52 2041.18 o 1 23 9 11165.44 13888.45 2289.52 o 3 23 9 8289.06 6567.78 1928.90 o 5 23 9 7552.53 8285.28 2559.98 o 7 23 9 7918.68 5462.16 1796.25 o 9 23 9 3772.12 2899.20 1603.93 o 11 23 9 12525.25 10697.71 2151.20 o 13 23 9 18736.61 21083.31 4912.66 o 15 23 9 5060.23 4381.16 1886.81 o 1 25 9 32058.45 31263.09 2855.72 o 3 25 9 626.34 2856.40 1661.38 o 5 25 9 3998.73 4625.65 1914.36 o 7 25 9 1317.15 2067.17 1798.78 o 9 25 9 16979.94 17948.40 2268.47 o 11 25 9 8401.66 6824.71 2068.57 o 13 25 9 10111.70 6839.04 1968.42 o 15 25 9 13973.50 14821.54 2358.17 o 1 27 9 10448.41 9021.52 2038.79 o 3 27 9 194.11 1376.94 1622.79 o 5 27 9 13056.07 10955.90 2285.95 o 7 27 9 239.19 1307.10 1730.73 o 9 27 9 13820.05 16275.18 2373.63 o 11 27 9 12514.40 15005.85 2670.28 o 13 27 9 11048.44 13027.76 2332.73 o 1 29 9 25403.96 25038.42 2732.39 o 3 29 9 16230.38 18075.72 2637.69 o 5 29 9 733.00 837.48 1682.82 o 7 29 9 13211.14 11338.52 2776.26 o 9 29 9 3158.85 1587.10 1923.13 o 11 29 9 9911.80 10681.04 2084.16 o 13 29 9 5224.82 4083.68 1864.76 o 1 31 9 8065.59 8696.66 1952.44 o 3 31 9 36898.85 41271.27 3329.01 o 5 31 9 2916.00 1635.80 1607.29 o 7 31 9 9853.79 9282.45 2162.01 o 9 31 9 4537.80 5697.81 1818.93 o 11 31 9 6192.93 6726.49 2213.88 o 13 31 9 9882.53 10234.99 2805.90 o 1 33 9 12156.66 9331.24 1842.96 o 3 33 9 8428.75 5745.63 1932.14 o 5 33 9 19383.75 23380.58 5224.48 o 7 33 9 2887.20 4129.88 3283.52 o 9 33 9 6591.87 5749.20 2203.75 o 11 33 9 2471.18 1642.06 1860.92 o 13 33 9 4958.10 4731.73 2085.25 o 1 35 9 10455.05 8836.92 2165.22 o 3 35 9 7000.31 6986.08 2358.81 o 5 35 9 28012.60 27884.36 2912.49 o 7 35 9 2118.49 3179.20 1842.82 o 9 35 9 7421.70 4279.25 2068.35 o 11 35 9 6194.92 7820.21 2922.05 o 13 35 9 8699.28 6725.77 2347.79 o 1 37 9 26877.13 28108.55 3173.44 o 3 37 9 11561.80 13413.54 2249.77 o 5 37 9 3612.46 4081.70 1957.78 o 7 37 9 9027.86 10438.85 2352.45 o 9 37 9 1928.62 32.40 1670.07 o 11 37 9 6106.04 7474.25 2275.79 o 1 39 9 4795.58 3529.59 2144.13 o 3 39 9 19760.42 18781.11 2380.22 o 5 39 9 4177.72 5589.61 3718.91 o 7 39 9 5839.10 8766.63 2353.71 o 9 39 9 3414.58 4388.17 2302.93 o 11 39 9 882.65 459.08 1859.87 o 1 41 9 3238.93 3107.69 2160.57 o 3 41 9 3274.52 4056.84 1755.72 o 5 41 9 10874.77 7538.12 2820.54 o 7 41 9 2144.58 2454.90 1866.13 o 9 41 9 2701.60 2162.98 2088.19 o 11 41 9 3171.94 3413.22 3758.37 o 1 43 9 5388.46 8778.67 3126.03 o 3 43 9 6087.04 4188.05 1819.47 o 5 43 9 13837.90 15390.47 2852.08 o 7 43 9 2810.95 4177.04 2067.94 o 9 43 9 4978.38 3521.64 1869.64 o 1 45 9 5318.84 5204.19 2760.02 o 3 45 9 15574.93 15499.33 2862.02 o 5 45 9 3114.58 2094.42 2124.09 o 7 45 9 5061.79 5120.85 2181.75 o 9 45 9 851.10 157.78 1616.71 o 1 47 9 4794.69 1088.58 2851.20 o 3 47 9 6163.45 8621.51 2056.74 o 5 47 9 5246.52 7282.26 2020.94 o 7 47 9 12404.32 12299.98 2569.82 o 1 49 9 14577.93 12295.07 3544.36 o 3 49 9 4302.97 4110.32 1926.71 o 5 49 9 5230.08 4291.53 2429.44 o 7 49 9 942.02 2069.76 2308.00 o 1 51 9 4152.01 1539.78 3011.06 o 3 51 9 2499.20 5173.23 1976.82 o 5 51 9 5733.02 7628.69 2123.09 o 1 53 9 6035.13 5469.95 3303.32 o 2 0 10 13779.10 27879.97 6026.35 o 6 0 10 17042.66 15600.47 5248.76 o 10 0 10 4358.82 3175.17 4130.97 o 14 0 10 22847.14 18416.12 8982.83 o 2 2 10 82296.97 82097.46 6269.37 o 4 2 10 27004.48 31571.08 10983.51 o 6 2 10 9882.49 9961.76 4244.37 o 8 2 10 6498.29 9409.94 2513.68 o 10 2 10 2805.01 798.41 1553.73 o 12 2 10 3441.45 2243.82 1872.50 o 14 2 10 669.79 1532.05 1709.60 o 2 4 10 2279.13 1181.26 1843.93 o 4 4 10 16596.35 20424.22 5421.15 o 6 4 10 726.15 866.51 1779.80 o 8 4 10 13471.41 8576.34 2321.26 o 10 4 10 126.94 1859.05 1664.99 o 12 4 10 19973.14 21261.55 2733.99 o 14 4 10 331.45 2503.36 1790.84 o 2 6 10 15887.04 20401.43 2793.26 o 4 6 10 19151.42 20205.05 2659.20 o 6 6 10 24991.58 19388.08 2804.92 o 8 6 10 4182.58 3271.50 1997.16 o 10 6 10 68.68 909.00 1601.32 o 12 6 10 2781.54 3383.16 1824.69 o 14 6 10 529.66 938.98 1782.14 o 2 8 10 4900.49 6008.14 2041.49 o 4 8 10 720.25 3218.30 1933.37 o 6 8 10 15183.95 17526.66 2672.78 o 8 8 10 704.50 896.46 1843.33 o 10 8 10 7972.31 9296.45 2160.69 o 12 8 10 1067.35 241.45 1694.55 o 14 8 10 18585.57 27073.30 3272.59 o 2 10 10 13835.77 14866.20 2599.05 o 4 10 10 20352.76 25514.75 5318.96 o 6 10 10 8404.58 9389.06 2487.36 o 8 10 10 10577.49 14193.04 2298.31 o 10 10 10 2882.05 1714.40 1671.53 o 12 10 10 4766.16 5744.00 2068.18 o 14 10 10 763.10 1725.49 2161.67 o 2 12 10 1990.91 3041.01 2240.29 o 4 12 10 13129.44 18841.98 4169.27 o 6 12 10 261.37 1893.83 2336.46 o 8 12 10 23416.43 28096.69 3448.66 o 10 12 10 130.84 1028.57 1654.16 o 12 12 10 18846.54 21113.09 3647.67 o 2 14 10 30634.60 33899.68 4538.45 o 4 14 10 5202.18 5042.71 2090.06 o 6 14 10 16567.98 16157.78 3285.31 o 8 14 10 6787.76 5009.07 1882.44 o 10 14 10 4202.73 5040.62 2002.79 o 12 14 10 5352.52 5167.22 2492.57 o 2 16 10 8744.74 10758.52 2309.60 o 4 16 10 521.85 1503.95 1715.74 o 6 16 10 17149.34 16882.65 2432.17 o 8 16 10 2059.74 481.69 1715.87 o 10 16 10 7789.17 8472.60 2094.87 o 12 16 10 747.09 643.94 1870.01 o 2 18 10 4015.65 6019.96 2038.98 o 4 18 10 22361.26 21225.90 2904.52 o 6 18 10 7817.37 7321.81 1881.97 o 8 18 10 8238.19 7496.86 1923.51 o 10 18 10 7805.83 7484.96 1999.09 o 12 18 10 2177.27 3662.86 1922.89 o 2 20 10 1010.67 0.00 1639.74 o 4 20 10 10389.26 15007.70 2788.95 o 6 20 10 15.04 43.11 1515.37 o 8 20 10 21618.04 24690.28 3367.08 o 10 20 10 1292.19 1409.73 1776.14 o 12 20 10 20185.34 15904.37 2537.00 o 2 22 10 33936.05 34134.99 3967.70 o 4 22 10 8731.77 9487.51 4007.94 o 6 22 10 8478.67 9106.37 1956.68 o 8 22 10 4639.20 5536.67 1842.96 o 10 22 10 14768.81 12227.75 2368.81 o 12 22 10 5050.21 3276.35 1809.54 o 2 24 10 5623.18 5564.78 2025.73 o 4 24 10 475.36 451.63 1548.62 o 6 24 10 16765.96 18197.44 2382.97 o 8 24 10 1310.41 2085.46 1656.40 o 10 24 10 15127.62 12555.24 4917.34 o 12 24 10 6411.31 4661.46 1954.29 o 2 26 10 18688.42 19710.35 2698.51 o 4 26 10 14308.89 16096.77 2504.27 o 6 26 10 9524.45 8618.32 1947.56 o 8 26 10 11215.12 8573.61 2966.02 o 10 26 10 7993.87 7591.11 2005.69 o 2 28 10 2285.83 16.20 2429.98 o 4 28 10 6312.64 3816.09 3121.74 o 6 28 10 3440.21 3061.34 1764.43 o 8 28 10 12235.85 13262.05 2296.89 o 10 28 10 5538.39 5898.25 2139.07 o 4 30 10 12765.39 14542.52 2645.05 o 6 30 10 6892.89 6857.97 2105.67 o 8 30 10 4197.62 3808.78 1764.87 o 10 30 10 11921.44 10464.94 2392.88 o 2 32 10 2316.00 3385.77 4049.97 o 4 32 10 706.21 2396.84 1874.53 o 6 32 10 14949.65 13759.77 2714.89 o 8 32 10 3044.79 1655.55 1749.91 o 10 32 10 9233.55 5403.59 2391.41 o 2 34 10 7810.08 7403.34 4373.96 o 4 34 10 12374.38 12327.02 3004.78 o 6 34 10 9883.11 9138.02 2359.45 o 8 34 10 13113.33 13276.85 2693.59 o 2 36 10 7323.53 10108.72 4438.76 o 4 36 10 3251.62 1934.18 1899.68 o 6 36 10 2199.69 1876.00 2029.11 o 8 36 10 10159.75 12740.83 2748.45 o 2 38 10 17785.37 17495.86 5264.96 o 4 38 10 4051.93 2100.02 1891.82 o 6 38 10 16456.53 16985.62 2917.75 o 2 40 10 4651.47 3871.77 4244.37 o 4 40 10 2756.46 2077.61 2001.02 o 6 40 10 7903.75 4418.25 2170.06 o 0 42 10 31896.34 33371.73 6479.95 o 2 42 10 1628.63 4130.97 4211.97 o 4 42 10 16520.22 21437.73 2997.95 o 2 44 10 929.61 16.20 4017.57 o 3 1 11 1928.06 5712.95 2675.34 o 5 1 11 8380.94 7513.11 2404.39 o 7 1 11 1407.88 1714.60 2107.30 o 9 1 11 4180.94 6436.14 2004.51 o 3 3 11 11141.65 8645.70 2420.98 o 5 3 11 3978.60 1459.00 1936.74 o 7 3 11 5047.70 3028.16 2191.16 o 9 3 11 5326.62 6441.45 2849.92 o 3 5 11 10868.87 10899.17 3882.47 o 5 5 11 3423.65 4607.02 2235.66 o 7 5 11 6481.75 7377.44 2428.42 o 9 5 11 3428.94 2524.85 2169.85 o 3 7 11 12146.52 16870.11 2888.68 o 5 7 11 11485.74 10198.43 2647.55 o 7 7 11 2108.22 2555.54 2127.48 o 9 7 11 8992.53 9857.28 2597.72 o 3 9 11 6880.97 7319.75 3208.02 o 5 9 11 12230.86 15384.67 2907.72 o 7 9 11 965.80 1507.92 2088.00 o 9 9 11 7520.07 15160.41 3355.70 o 3 11 11 5600.81 2677.40 2489.02 o 5 11 11 5643.16 5799.41 2292.35 o 7 11 11 9920.12 11676.24 3351.60 o 9 11 11 4040.91 4580.10 2369.33 o 3 13 11 8012.62 11137.94 3067.98 o 5 13 11 1867.86 2716.76 2128.70 o 7 13 11 5655.85 8071.05 3844.25 o 9 13 11 6338.59 6817.48 2557.29 o 3 15 11 5315.98 6209.17 2736.09 o 5 15 11 14881.00 21359.51 3239.87 o 7 15 11 1936.94 1480.26 2014.13 o 9 15 11 9459.40 11346.41 3037.12 o 3 17 11 4476.21 5908.04 2693.64 o 5 17 11 9311.79 10557.23 2667.82 o 7 17 11 187.40 2026.67 2105.46 o 9 17 11 6019.97 4447.74 2373.60 o 3 19 11 9162.52 6907.62 3005.08 o 5 19 11 4197.65 5225.50 2244.24 o 7 19 11 9030.15 8340.04 2628.22 o 3 21 11 2439.14 4754.71 4195.77 o 5 21 11 571.48 1179.37 1884.97 o 7 21 11 11589.09 13400.13 2829.27 o 3 23 11 3411.15 5880.55 4519.76 o 5 23 11 5525.81 9365.93 3080.84 o 7 23 11 5136.80 7363.82 2365.32 o 3 25 11 430.60 1312.19 4503.56 o 5 25 11 4965.27 3463.49 2114.18 o 7 25 11 433.58 469.36 2787.87 o 3 27 11 9866.53 3563.97 4487.36 o 5 27 11 2850.97 4992.92 2287.89 o 3 29 11 8504.57 13381.09 5086.76 o 5 29 11 266.47 836.79 2078.75 o 3 31 11 5674.17 3077.98 4406.36 o