# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2004 data_global _journal_coden_Cambridge 182 #=================================================================== # 0. CIF Creation details #=================================================================== _audit_creation_date 2002-11-21T15:30:13-00:00 _audit_creation_method 'WinGX routine CIF_UPDATE' _audit_conform_dict_name cif_core.dic _audit_conform_dict_version 2.2 _audit_conform_dict_location ftp://ftp.iucr.org/pub/cif_core.dic _audit_update_record ; March 11, 2003 Assembled, pass-1 Sent to Checkcif OK, no errors detected. Sent to Printcif OK, caught two typos October 22, 1999 Everything Checked, OK to send to cifpub@iucr.org ; #=================================================================== # 1. SUBMISSION DETAILS #=================================================================== _publ_contact_author_name 'Simon J. Clarke' _publ_contact_author_address ; Inorganic Chemistry Laboratory Department of Chemistry University of Oxford South Parks Road Oxford, Oxfordshire OX1 3QR, United Kingdom ; _publ_contact_author_email simon.clarke@chem.ox.ac.uk _publ_requested_journal 'Chemical Communications' _publ_requested_category FI #===================================================================== # 2. TITLE AND AUTHOR LIST #===================================================================== _publ_section_title ; Sr~11~Ge~4~N~6~: a new nitride composed of [GeN~2~Sr~7~]^4+^ antiperovskite-type slabs and [Sr~4~Ge]^4+^ layers, separated by layers of bent [GeN~2~]^4-^ ions ; loop_ _publ_author_name _publ_author_address "Zolt\'an A. G\'al" ; Inorganic Chemistry Laboratory Department of Chemistry University of Oxford South Parks Road Oxford, Oxfordshire OX1 3QR, United Kingdom ; 'Simon J. Clarke' ; Inorganic Chemistry Laboratory Department of Chemistry University of Oxford South Parks Road Oxford, Oxfordshire OX1 3QR, United Kingdom ; data_compound _database_code_depnum_ccdc_archive 'CCDC 250041' #----------------------------------------------------------------------------# # CHEMICAL INFORMATION # #----------------------------------------------------------------------------# _chemical_name_systematic ; ? ; _chemical_name_common 'Strontium Germanium Nitride' _chemical_formula_moiety 'Ge4 N6 Sr11' _chemical_formula_sum 'Ge4 N6 Sr11' _chemical_formula_weight 1338.24 _chemical_compound_source 'synthesis as described' #----------------------------------------------------------------------------# # UNIT CELL INFORMATION # #----------------------------------------------------------------------------# _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'P 4/n b m' _symmetry_space_group_name_Hall '-P 4a 2b' _symmetry_Int_Tables_number 125 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y+1/2, -z' '-x+1/2, -y+1/2, z' '-x+1/2, y, -z' 'y, x, -z' 'y, -x+1/2, z' '-y+1/2, x, z' '-y+1/2, -x+1/2, -z' '-x, -y, -z' '-x, y-1/2, z' 'x-1/2, y-1/2, -z' 'x-1/2, -y, z' '-y, -x, z' '-y, x-1/2, -z' 'y-1/2, -x, -z' 'y-1/2, x-1/2, z' _cell_length_a 7.2779(10) _cell_length_b 7.2779(10) _cell_length_c 18.681(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 989.5(3) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 42261 _cell_measurement_theta_min 5.097 _cell_measurement_theta_max 30.034 _cell_measurement_wavelength 0.71073 #----------------------------------------------------------------------------# # CRYSTAL INFORMATION # #----------------------------------------------------------------------------# _exptl_crystal_description prism _exptl_crystal_colour black _exptl_crystal_size_max 0.08 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.04 _exptl_crystal_density_diffrn 4.491 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1176 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0 0 1 0.0180 0 0 -1 0.0210 0 -1 0 0.0430 1 1 -1 0.0380 1 -1 -1 0.0380 1 -1 1 0.0340 -1 1 1 0.0400 -1 1 -1 0.0380 -1 -1 -1 0.0400 -1 -1 1 0.0380 1 0 1 0.0460 1 0 -1 0.0380 -1 0 -1 0.0420 -1 0 1 0.0380 0 1 1 0.0370 0 1 -1 0.0380 0 -1 1 0.0390 _exptl_special_details ; ? ; #----------------------------------------------------------------------------# # ABSORPTION CORRECTION # #----------------------------------------------------------------------------# _exptl_absorpt_coefficient_mu 35.33800 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; (see. N.W. Alcock (1970). Cryst. Computing, p271) ; _exptl_absorpt_correction_T_min 0.1202 _exptl_absorpt_correction_T_max 0.2924 _exptl_absorpt_correction_T_ave 0.2179 #----------------------------------------------------------------------------# # DATA COLLECTION # #----------------------------------------------------------------------------# _diffrn_source 'Enraf Nonius FR590' _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_detector 'CCD plate' # Orientation matrix from 'scale_unm.out' _diffrn_orient_matrix_type 'by Nonius Collect from scalepack cell' _diffrn_orient_matrix_UB_11 -0.0526025 _diffrn_orient_matrix_UB_21 0.1253159 _diffrn_orient_matrix_UB_31 0.0201932 _diffrn_orient_matrix_UB_12 -0.0148218 _diffrn_orient_matrix_UB_22 0.0156449 _diffrn_orient_matrix_UB_32 -0.1356997 _diffrn_orient_matrix_UB_13 -0.0491101 _diffrn_orient_matrix_UB_23 -0.0210870 _diffrn_orient_matrix_UB_33 0.0029329 _diffrn_measurement_device '95mm CCD camera on \k-goniostat' _diffrn_measurement_device_type KappaCCD _diffrn_measurement_method 'CCD rotation images, thick slices' _diffrn_reflns_av_R_equivalents 0.0808 _diffrn_reflns_av_unetI/netI 0.02 _diffrn_reflns_number 26697 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 5.14 _diffrn_reflns_theta_max 29.13 _diffrn_reflns_theta_full 29.13 _diffrn_measured_fraction_theta_full 0.976 _diffrn_measured_fraction_theta_max 0.976 _reflns_number_total 726 _reflns_number_gt 652 _reflns_threshold_expression >2sigma(I) #----------------------------------------------------------------------------# # COMPUTER PROGRAMS USED # #----------------------------------------------------------------------------# _computing_data_collection 'Collect (Nonius BV, 1997-2000)' _computing_cell_refinement 'HKL Scalepack (Otwinowski & Minor 1997)' _computing_data_reduction 'HKL Denzo and Scalepack (Otwinowski & Minor 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX publication routines (Farrugia, 1999)' #----------------------------------------------------------------------------# # REFINEMENT INFORMATION # #----------------------------------------------------------------------------# _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _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^)+(0.0232P)^2^+0.8700P] 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 undef _refine_ls_extinction_method SHELXL _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_coef 0.00065(10) _refine_ls_number_reflns 726 _refine_ls_number_parameters 36 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0291 _refine_ls_R_factor_gt 0.0236 _refine_ls_wR_factor_ref 0.0484 _refine_ls_wR_factor_gt 0.0473 _refine_ls_goodness_of_fit_ref 1.191 _refine_ls_restrained_S_all 1.191 _refine_ls_shift/su_max 0 _refine_ls_shift/su_mean 0 _refine_diff_density_max 1.354 _refine_diff_density_min -0.834 _refine_diff_density_rms 0.181 #----------------------------------------------------------------------------# # ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS # #----------------------------------------------------------------------------# loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 Sr1 Sr 0.47172(5) 0.52828(5) 0.12971(3) 0.01362(13) Uani 1 2 d S . . Sr2 Sr 0.57881(4) 0.42119(4) 0.40170(2) 0.01008(13) Uani 1 2 d S . . Sr3 Sr 0.25 0.25 0.27495(3) 0.01046(16) Uani 1 4 d S . . Sr4 Sr 0.25 0.25 0 0.0180(2) Uani 1 8 d S . . Ge1 Ge 0.75 0.25 0.25846(4) 0.01014(17) Uani 1 4 d S . . Ge2 Ge 0.75 0.25 0 0.0117(2) Uani 1 8 d S . . Ge3 Ge 0.25 0.25 0.5 0.0119(2) Uani 1 8 d S . . N1 N 0.3951(4) 0.6049(4) 0.3163(2) 0.0132(9) Uani 1 2 d S . . N2 N 0.25 0.25 0.1438(3) 0.0111(11) Uani 1 4 d S . . 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 Sr1 0.01012(16) 0.01012(16) 0.0206(3) 0.00034(13) -0.00034(13) -0.00228(16) Sr2 0.00900(16) 0.00900(16) 0.0123(2) 0.00008(12) -0.00008(12) 0.00037(15) Sr3 0.0105(2) 0.0105(2) 0.0105(3) 0 0 0 Sr4 0.0220(3) 0.0220(3) 0.0100(4) 0 0 0 Ge1 0.0104(2) 0.0104(2) 0.0096(3) 0 0 -0.0019(2) Ge2 0.0118(3) 0.0118(3) 0.0115(5) 0 0 0 Ge3 0.0118(3) 0.0118(3) 0.0121(5) 0 0 0 N1 0.0117(12) 0.0117(12) 0.016(2) 0.0013(12) -0.0013(12) 0.0013(15) N2 0.0084(16) 0.0084(16) 0.016(3) 0 0 0 #----------------------------------------------------------------------------# # MOLECULAR GEOMETRY # #----------------------------------------------------------------------------# _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 Sr1 N2 2.6029(7) . ? Sr1 N2 2.6029(7) 13_665 ? Sr1 Ge1 3.3155(8) 3 ? Sr1 Ge2 3.3286(6) 9_665 ? Sr1 Sr4 3.5465(5) . ? Sr1 Sr4 3.5465(5) 9_665 ? Sr1 Sr1 3.6622(5) 3 ? Sr1 Sr1 3.6622(5) 4 ? Sr1 Sr1 3.6622(5) 4_565 ? Sr1 Sr1 3.6622(5) 3_655 ? Sr1 Ge1 3.7402(8) . ? Sr1 Sr3 3.7507(7) . ? Sr2 N1 2.474(4) . ? Sr2 N1 2.807(3) 4 ? Sr2 N1 2.807(3) 3_655 ? Sr2 Ge1 3.2039(8) . ? Sr2 Ge3 3.2637(5) 9_666 ? Sr2 Ge3 3.2637(5) . ? Sr2 Sr2 3.5240(10) 2_655 ? Sr2 Sr3 3.5897(6) . ? Sr2 Sr3 3.5897(7) 13_665 ? Sr2 Sr2 3.8155(6) 3_655 ? Sr2 Sr2 3.8155(6) 4 ? Sr2 Sr2 3.8155(6) 4_565 ? Sr3 N2 2.449(6) . ? Sr3 N1 2.8956(19) . ? Sr3 N1 2.8956(19) 2 ? Sr3 N1 2.8956(19) 4 ? Sr3 N1 2.8956(19) 3 ? Sr3 Sr2 3.5897(7) 3 ? Sr3 Sr2 3.5897(7) 4 ? Sr3 Sr2 3.5897(7) 2 ? Sr3 Ge1 3.6520(5) 3_545 ? Sr3 Ge1 3.6520(5) 1_455 ? Sr3 Ge1 3.6520(5) . ? Sr4 N2 2.687(6) 5 ? Sr4 N2 2.687(6) . ? Sr4 Sr1 3.5465(5) 4 ? Sr4 Sr1 3.5465(5) 3 ? Sr4 Sr1 3.5465(5) 2 ? Sr4 Sr1 3.5465(5) 10 ? Sr4 Sr1 3.5465(5) 12_655 ? Sr4 Sr1 3.5465(5) 11_565 ? Sr4 Sr1 3.5465(5) 9_665 ? Sr4 Ge2 3.6389(5) . ? Sr4 Ge2 3.6389(5) 1_455 ? Ge1 N1 1.844(4) 3_655 ? Ge1 N1 1.844(4) 4 ? Ge1 Sr2 3.2039(8) 2_655 ? Ge1 Sr1 3.3155(8) 4 ? Ge1 Sr1 3.3155(8) 3_655 ? Ge1 Sr3 3.6520(5) 13_665 ? Ge1 Sr3 3.6520(5) 1_655 ? Ge1 Sr3 3.6520(5) 13_655 ? Ge1 Sr1 3.7402(8) 2_655 ? Ge2 Sr1 3.3286(6) 3_655 ? Ge2 Sr1 3.3286(6) 4 ? Ge2 Sr1 3.3286(6) 10_655 ? Ge2 Sr1 3.3286(6) 9_665 ? Ge2 Sr4 3.6389(5) 9_665 ? Ge2 Sr4 3.6389(5) 9_655 ? Ge2 Sr4 3.6389(5) 1_655 ? Ge2 Sr1 3.7518(7) 12_655 ? Ge2 Sr1 3.7518(7) 2_655 ? Ge2 Sr1 3.7518(7) 11_665 ? Ge3 Sr2 3.2637(5) 9_666 ? Ge3 Sr2 3.2637(5) 2 ? Ge3 Sr2 3.2637(5) 12_656 ? Ge3 Sr2 3.2637(5) 10_556 ? Ge3 Sr2 3.2637(5) 11_566 ? Ge3 Sr2 3.2637(5) 4 ? Ge3 Sr2 3.2637(5) 3 ? N1 Ge1 1.844(4) 3 ? N1 Sr2 2.807(3) 4_565 ? N1 Sr2 2.807(3) 3 ? N1 Sr3 2.8956(19) 13_665 ? N2 Sr1 2.6029(7) 2 ? N2 Sr1 2.6029(7) 3 ? N2 Sr1 2.6029(7) 4 ? 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 N2 Sr1 N2 162.64(16) . 13_665 ? N2 Sr1 Ge1 90.20(9) . 3 ? N2 Sr1 Ge1 90.20(9) 13_665 3 ? N2 Sr1 Ge2 98.65(9) . 9_665 ? N2 Sr1 Ge2 98.65(9) 13_665 9_665 ? Ge1 Sr1 Ge2 93.22(2) 3 9_665 ? N2 Sr1 Sr4 48.92(12) . . ? N2 Sr1 Sr4 141.01(12) 13_665 . ? Ge1 Sr1 Sr4 123.516(12) 3 . ? Ge2 Sr1 Sr4 63.823(11) 9_665 . ? N2 Sr1 Sr4 141.01(12) . 9_665 ? N2 Sr1 Sr4 48.92(12) 13_665 9_665 ? Ge1 Sr1 Sr4 123.516(12) 3 9_665 ? Ge2 Sr1 Sr4 63.823(11) 9_665 9_665 ? Sr4 Sr1 Sr4 93.027(18) . 9_665 ? N2 Sr1 Sr1 45.294(12) . 3 ? N2 Sr1 Sr1 147.44(3) 13_665 3 ? Ge1 Sr1 Sr1 64.603(11) 3 3 ? Ge2 Sr1 Sr1 64.710(11) 9_665 3 ? Sr4 Sr1 Sr1 58.915(5) . 3 ? Sr4 Sr1 Sr1 128.214(13) 9_665 3 ? N2 Sr1 Sr1 45.294(12) . 4 ? N2 Sr1 Sr1 121.91(2) 13_665 4 ? Ge1 Sr1 Sr1 122.569(8) 3 4 ? Ge2 Sr1 Sr1 122.425(6) 9_665 4 ? Sr4 Sr1 Sr1 58.915(5) . 4 ? Sr4 Sr1 Sr1 112.824(15) 9_665 4 ? Sr1 Sr1 Sr1 90 3 4 ? N2 Sr1 Sr1 147.44(3) . 4_565 ? N2 Sr1 Sr1 45.294(12) 13_665 4_565 ? Ge1 Sr1 Sr1 64.603(11) 3 4_565 ? Ge2 Sr1 Sr1 64.710(11) 9_665 4_565 ? Sr4 Sr1 Sr1 128.214(13) . 4_565 ? Sr4 Sr1 Sr1 58.915(5) 9_665 4_565 ? Sr1 Sr1 Sr1 102.91(2) 3 4_565 ? Sr1 Sr1 Sr1 167.09(2) 4 4_565 ? N2 Sr1 Sr1 121.91(2) . 3_655 ? N2 Sr1 Sr1 45.294(12) 13_665 3_655 ? Ge1 Sr1 Sr1 122.569(8) 3 3_655 ? Ge2 Sr1 Sr1 122.425(6) 9_665 3_655 ? Sr4 Sr1 Sr1 112.824(15) . 3_655 ? Sr4 Sr1 Sr1 58.915(5) 9_665 3_655 ? Sr1 Sr1 Sr1 167.09(2) 3 3_655 ? Sr1 Sr1 Sr1 77.09(2) 4 3_655 ? Sr1 Sr1 Sr1 90 4_565 3_655 ? N2 Sr1 Ge1 81.33(8) . . ? N2 Sr1 Ge1 81.33(8) 13_665 . ? Ge1 Sr1 Ge1 93.47(2) 3 . ? Ge2 Sr1 Ge1 173.303(18) 9_665 . ? Sr4 Sr1 Ge1 112.119(14) . . ? Sr4 Sr1 Ge1 112.119(14) 9_665 . ? Sr1 Sr1 Ge1 118.503(7) 3 . ? Sr1 Sr1 Ge1 53.206(12) 4 . ? Sr1 Sr1 Ge1 118.503(7) 4_565 . ? Sr1 Sr1 Ge1 53.206(12) 3_655 . ? N2 Sr1 Sr3 40.52(12) . . ? N2 Sr1 Sr3 126.60(12) 13_665 . ? Ge1 Sr1 Sr3 61.877(13) 3 . ? Ge2 Sr1 Sr3 125.440(12) 9_665 . ? Sr4 Sr1 Sr3 89.436(15) . . ? Sr4 Sr1 Sr3 170.286(15) 9_665 . ? Sr1 Sr1 Sr3 60.777(6) 3 . ? Sr1 Sr1 Sr3 60.777(6) 4 . ? Sr1 Sr1 Sr3 125.798(13) 4_565 . ? Sr1 Sr1 Sr3 111.518(14) 3_655 . ? Ge1 Sr1 Sr3 58.356(11) . . ? N1 Sr2 N1 96.52(14) . 4 ? N1 Sr2 N1 96.52(14) . 3_655 ? N1 Sr2 N1 64.29(15) 4 3_655 ? N1 Sr2 Ge1 83.22(10) . . ? N1 Sr2 Ge1 34.94(8) 4 . ? N1 Sr2 Ge1 34.94(8) 3_655 . ? N1 Sr2 Ge3 99.95(6) . 9_666 ? N1 Sr2 Ge3 153.54(6) 4 9_666 ? N1 Sr2 Ge3 93.22(8) 3_655 9_666 ? Ge1 Sr2 Ge3 127.347(9) . 9_666 ? N1 Sr2 Ge3 99.95(6) . . ? N1 Sr2 Ge3 93.22(8) 4 . ? N1 Sr2 Ge3 153.54(6) 3_655 . ? Ge1 Sr2 Ge3 127.347(9) . . ? Ge3 Sr2 Ge3 104.076(17) 9_666 . ? N1 Sr2 Sr2 139.86(10) . 2_655 ? N1 Sr2 Sr2 51.11(5) 4 2_655 ? N1 Sr2 Sr2 51.11(5) 3_655 2_655 ? Ge1 Sr2 Sr2 56.637(12) . 2_655 ? Ge3 Sr2 Sr2 104.391(8) 9_666 2_655 ? Ge3 Sr2 Sr2 104.391(8) . 2_655 ? N1 Sr2 Sr3 53.27(4) . . ? N1 Sr2 Sr3 52.10(5) 4 . ? N1 Sr2 Sr3 98.54(8) 3_655 . ? Ge1 Sr2 Sr3 64.745(14) . . ? Ge3 Sr2 Sr3 151.662(14) 9_666 . ? Ge3 Sr2 Sr3 75.514(15) . . ? Sr2 Sr2 Sr3 103.060(7) 2_655 . ? N1 Sr2 Sr3 53.27(4) . 13_665 ? N1 Sr2 Sr3 98.54(8) 4 13_665 ? N1 Sr2 Sr3 52.10(5) 3_655 13_665 ? Ge1 Sr2 Sr3 64.745(14) . 13_665 ? Ge3 Sr2 Sr3 75.514(16) 9_666 13_665 ? Ge3 Sr2 Sr3 151.662(14) . 13_665 ? Sr2 Sr2 Sr3 103.060(7) 2_655 13_665 ? Sr3 Sr2 Sr3 91.58(2) . 13_665 ? N1 Sr2 Sr2 110.67(3) . 3_655 ? N1 Sr2 Sr2 100.49(7) 4 3_655 ? N1 Sr2 Sr2 40.37(8) 3_655 3_655 ? Ge1 Sr2 Sr2 75.288(8) . 3_655 ? Ge3 Sr2 Sr2 54.229(5) 9_666 3_655 ? Ge3 Sr2 Sr2 144.498(10) . 3_655 ? Sr2 Sr2 Sr2 62.497(9) 2_655 3_655 ? Sr3 Sr2 Sr2 137.745(12) . 3_655 ? Sr3 Sr2 Sr2 57.896(6) 13_665 3_655 ? N1 Sr2 Sr2 110.67(3) . 4 ? N1 Sr2 Sr2 40.37(8) 4 4 ? N1 Sr2 Sr2 100.49(7) 3_655 4 ? Ge1 Sr2 Sr2 75.288(8) . 4 ? Ge3 Sr2 Sr2 144.498(10) 9_666 4 ? Ge3 Sr2 Sr2 54.229(4) . 4 ? Sr2 Sr2 Sr2 62.497(9) 2_655 4 ? Sr3 Sr2 Sr2 57.896(6) . 4 ? Sr3 Sr2 Sr2 137.745(12) 13_665 4 ? Sr2 Sr2 Sr2 124.994(18) 3_655 4 ? N1 Sr2 Sr2 47.31(8) . 4_565 ? N1 Sr2 Sr2 143.37(7) 4 4_565 ? N1 Sr2 Sr2 108.13(6) 3_655 4_565 ? Ge1 Sr2 Sr2 119.196(9) . 4_565 ? Ge3 Sr2 Sr2 54.229(5) 9_666 4_565 ? Ge3 Sr2 Sr2 98.258(15) . 4_565 ? Sr2 Sr2 Sr2 152.497(9) 2_655 4_565 ? Sr3 Sr2 Sr2 97.504(13) . 4_565 ? Sr3 Sr2 Sr2 57.896(6) 13_665 4_565 ? Sr2 Sr2 Sr2 90 3_655 4_565 ? Sr2 Sr2 Sr2 145.006(18) 4 4_565 ? N2 Sr3 N1 105.49(8) . . ? N2 Sr3 N1 105.49(8) . 2 ? N1 Sr3 N1 149.03(16) . 2 ? N2 Sr3 N1 105.49(8) . 4 ? N1 Sr3 N1 85.91(4) . 4 ? N1 Sr3 N1 85.91(4) 2 4 ? N2 Sr3 N1 105.49(8) . 3 ? N1 Sr3 N1 85.91(4) . 3 ? N1 Sr3 N1 85.91(4) 2 3 ? N1 Sr3 N1 149.03(16) 4 3 ? N2 Sr3 Sr2 131.272(11) . . ? N1 Sr3 Sr2 43.21(8) . . ? N1 Sr3 Sr2 112.12(8) 2 . ? N1 Sr3 Sr2 49.89(7) 4 . ? N1 Sr3 Sr2 106.97(8) 3 . ? N2 Sr3 Sr2 131.272(11) . 3 ? N1 Sr3 Sr2 49.89(7) . 3 ? N1 Sr3 Sr2 106.97(8) 2 3 ? N1 Sr3 Sr2 112.12(8) 4 3 ? N1 Sr3 Sr2 43.21(8) 3 3 ? Sr2 Sr3 Sr2 64.207(13) . 3 ? N2 Sr3 Sr2 131.272(11) . 4 ? N1 Sr3 Sr2 106.97(8) . 4 ? N1 Sr3 Sr2 49.89(7) 2 4 ? N1 Sr3 Sr2 43.21(8) 4 4 ? N1 Sr3 Sr2 112.12(8) 3 4 ? Sr2 Sr3 Sr2 64.207(13) . 4 ? Sr2 Sr3 Sr2 97.46(2) 3 4 ? N2 Sr3 Sr2 131.272(11) . 2 ? N1 Sr3 Sr2 112.12(8) . 2 ? N1 Sr3 Sr2 43.21(8) 2 2 ? N1 Sr3 Sr2 106.97(8) 4 2 ? N1 Sr3 Sr2 49.89(7) 3 2 ? Sr2 Sr3 Sr2 97.46(2) . 2 ? Sr2 Sr3 Sr2 64.207(13) 3 2 ? Sr2 Sr3 Sr2 64.207(13) 4 2 ? N2 Sr3 Ge1 85.161(15) . 3_545 ? N1 Sr3 Ge1 155.69(8) . 3_545 ? N1 Sr3 Ge1 29.97(8) 2 3_545 ? N1 Sr3 Ge1 70.07(7) 4 3_545 ? N1 Sr3 Ge1 112.70(7) 3 3_545 ? Sr2 Sr3 Ge1 113.671(13) . 3_545 ? Sr2 Sr3 Ge1 136.047(19) 3 3_545 ? Sr2 Sr3 Ge1 52.509(14) 4 3_545 ? Sr2 Sr3 Ge1 73.130(11) 2 3_545 ? N2 Sr3 Ge1 85.161(15) . 1_455 ? N1 Sr3 Ge1 112.70(7) . 1_455 ? N1 Sr3 Ge1 70.07(7) 2 1_455 ? N1 Sr3 Ge1 155.69(8) 4 1_455 ? N1 Sr3 Ge1 29.97(8) 3 1_455 ? Sr2 Sr3 Ge1 136.047(19) . 1_455 ? Sr2 Sr3 Ge1 73.130(11) 3 1_455 ? Sr2 Sr3 Ge1 113.671(13) 4 1_455 ? Sr2 Sr3 Ge1 52.509(14) 2 1_455 ? Ge1 Sr3 Ge1 89.592(2) 3_545 1_455 ? N2 Sr3 Ge1 85.161(15) . . ? N1 Sr3 Ge1 70.07(7) . . ? N1 Sr3 Ge1 112.70(7) 2 . ? N1 Sr3 Ge1 29.97(8) 4 . ? N1 Sr3 Ge1 155.69(8) 3 . ? Sr2 Sr3 Ge1 52.509(14) . . ? Sr2 Sr3 Ge1 113.671(13) 3 . ? Sr2 Sr3 Ge1 73.130(11) 4 . ? Sr2 Sr3 Ge1 136.047(19) 2 . ? Ge1 Sr3 Ge1 89.592(2) 3_545 . ? Ge1 Sr3 Ge1 170.32(3) 1_455 . ? N2 Sr4 N2 180 5 . ? N2 Sr4 Sr1 133.100(9) 5 . ? N2 Sr4 Sr1 46.900(9) . . ? N2 Sr4 Sr1 133.100(9) 5 4 ? N2 Sr4 Sr1 46.900(9) . 4 ? Sr1 Sr4 Sr1 62.170(10) . 4 ? N2 Sr4 Sr1 133.100(9) 5 3 ? N2 Sr4 Sr1 46.900(9) . 3 ? Sr1 Sr4 Sr1 62.170(10) . 3 ? Sr1 Sr4 Sr1 93.801(18) 4 3 ? N2 Sr4 Sr1 133.100(9) 5 2 ? N2 Sr4 Sr1 46.900(9) . 2 ? Sr1 Sr4 Sr1 93.801(18) . 2 ? Sr1 Sr4 Sr1 62.170(10) 4 2 ? Sr1 Sr4 Sr1 62.170(10) 3 2 ? N2 Sr4 Sr1 46.900(9) 5 10 ? N2 Sr4 Sr1 133.100(9) . 10 ? Sr1 Sr4 Sr1 170.583(16) . 10 ? Sr1 Sr4 Sr1 125.871(16) 4 10 ? Sr1 Sr4 Sr1 110.350(17) 3 10 ? Sr1 Sr4 Sr1 86.973(18) 2 10 ? N2 Sr4 Sr1 46.900(9) 5 12_655 ? N2 Sr4 Sr1 133.100(9) . 12_655 ? Sr1 Sr4 Sr1 125.871(16) . 12_655 ? Sr1 Sr4 Sr1 86.973(18) 4 12_655 ? Sr1 Sr4 Sr1 170.583(16) 3 12_655 ? Sr1 Sr4 Sr1 110.350(17) 2 12_655 ? Sr1 Sr4 Sr1 62.170(10) 10 12_655 ? N2 Sr4 Sr1 46.900(9) 5 11_565 ? N2 Sr4 Sr1 133.100(9) . 11_565 ? Sr1 Sr4 Sr1 110.350(17) . 11_565 ? Sr1 Sr4 Sr1 170.583(16) 4 11_565 ? Sr1 Sr4 Sr1 86.973(18) 3 11_565 ? Sr1 Sr4 Sr1 125.871(16) 2 11_565 ? Sr1 Sr4 Sr1 62.170(10) 10 11_565 ? Sr1 Sr4 Sr1 93.801(18) 12_655 11_565 ? N2 Sr4 Sr1 46.900(9) 5 9_665 ? N2 Sr4 Sr1 133.100(9) . 9_665 ? Sr1 Sr4 Sr1 86.973(18) . 9_665 ? Sr1 Sr4 Sr1 110.350(17) 4 9_665 ? Sr1 Sr4 Sr1 125.871(16) 3 9_665 ? Sr1 Sr4 Sr1 170.583(16) 2 9_665 ? Sr1 Sr4 Sr1 93.801(18) 10 9_665 ? Sr1 Sr4 Sr1 62.170(10) 12_655 9_665 ? Sr1 Sr4 Sr1 62.170(10) 11_565 9_665 ? N2 Sr4 Ge2 90 5 . ? N2 Sr4 Ge2 90 . . ? Sr1 Sr4 Ge2 62.936(8) . . ? Sr1 Sr4 Ge2 55.175(9) 4 . ? Sr1 Sr4 Ge2 124.825(9) 3 . ? Sr1 Sr4 Ge2 117.064(8) 2 . ? Sr1 Sr4 Ge2 124.825(9) 10 . ? Sr1 Sr4 Ge2 62.936(8) 12_655 . ? Sr1 Sr4 Ge2 117.064(8) 11_565 . ? Sr1 Sr4 Ge2 55.175(9) 9_665 . ? N2 Sr4 Ge2 90 5 1_455 ? N2 Sr4 Ge2 90 . 1_455 ? Sr1 Sr4 Ge2 117.064(8) . 1_455 ? Sr1 Sr4 Ge2 124.825(9) 4 1_455 ? Sr1 Sr4 Ge2 55.175(9) 3 1_455 ? Sr1 Sr4 Ge2 62.936(8) 2 1_455 ? Sr1 Sr4 Ge2 55.175(9) 10 1_455 ? Sr1 Sr4 Ge2 117.064(8) 12_655 1_455 ? Sr1 Sr4 Ge2 62.936(8) 11_565 1_455 ? Sr1 Sr4 Ge2 124.825(9) 9_665 1_455 ? Ge2 Sr4 Ge2 180 . 1_455 ? N1 Ge1 N1 108.2(3) 3_655 4 ? N1 Ge1 Sr2 60.67(10) 3_655 . ? N1 Ge1 Sr2 60.67(10) 4 . ? N1 Ge1 Sr2 60.67(10) 3_655 2_655 ? N1 Ge1 Sr2 60.67(10) 4 2_655 ? Sr2 Ge1 Sr2 66.73(2) . 2_655 ? N1 Ge1 Sr1 169.40(13) 3_655 4 ? N1 Ge1 Sr1 82.41(13) 4 4 ? Sr2 Ge1 Sr1 127.293(11) . 4 ? Sr2 Ge1 Sr1 127.293(11) 2_655 4 ? N1 Ge1 Sr1 82.41(13) 3_655 3_655 ? N1 Ge1 Sr1 169.40(13) 4 3_655 ? Sr2 Ge1 Sr1 127.293(11) . 3_655 ? Sr2 Ge1 Sr1 127.293(11) 2_655 3_655 ? Sr1 Ge1 Sr1 86.99(3) 4 3_655 ? N1 Ge1 Sr3 51.67(6) 3_655 13_665 ? N1 Ge1 Sr3 121.42(8) 4 13_665 ? Sr2 Ge1 Sr3 62.746(12) . 13_665 ? Sr2 Ge1 Sr3 108.484(18) 2_655 13_665 ? Sr1 Ge1 Sr3 123.103(16) 4 13_665 ? Sr1 Ge1 Sr3 64.927(12) 3_655 13_665 ? N1 Ge1 Sr3 51.67(6) 3_655 1_655 ? N1 Ge1 Sr3 121.42(8) 4 1_655 ? Sr2 Ge1 Sr3 108.484(18) . 1_655 ? Sr2 Ge1 Sr3 62.746(12) 2_655 1_655 ? Sr1 Ge1 Sr3 123.103(16) 4 1_655 ? Sr1 Ge1 Sr3 64.927(12) 3_655 1_655 ? Sr3 Ge1 Sr3 89.592(2) 13_665 1_655 ? N1 Ge1 Sr3 121.42(8) 3_655 . ? N1 Ge1 Sr3 51.67(6) 4 . ? Sr2 Ge1 Sr3 62.746(12) . . ? Sr2 Ge1 Sr3 108.484(18) 2_655 . ? Sr1 Ge1 Sr3 64.927(12) 4 . ? Sr1 Ge1 Sr3 123.103(16) 3_655 . ? Sr3 Ge1 Sr3 89.592(2) 13_665 . ? Sr3 Ge1 Sr3 170.32(3) 1_655 . ? N1 Ge1 Sr3 121.42(8) 3_655 13_655 ? N1 Ge1 Sr3 51.67(6) 4 13_655 ? Sr2 Ge1 Sr3 108.484(18) . 13_655 ? Sr2 Ge1 Sr3 62.746(12) 2_655 13_655 ? Sr1 Ge1 Sr3 64.927(12) 4 13_655 ? Sr1 Ge1 Sr3 123.103(16) 3_655 13_655 ? Sr3 Ge1 Sr3 170.32(3) 13_665 13_655 ? Sr3 Ge1 Sr3 89.592(2) 1_655 13_655 ? Sr3 Ge1 Sr3 89.592(2) . 13_655 ? N1 Ge1 Sr1 112.16(7) 3_655 . ? N1 Ge1 Sr1 112.16(7) 4 . ? Sr2 Ge1 Sr1 96.658(17) . . ? Sr2 Ge1 Sr1 163.385(18) 2_655 . ? Sr1 Ge1 Sr1 62.192(13) 4 . ? Sr1 Ge1 Sr1 62.192(13) 3_655 . ? Sr3 Ge1 Sr1 60.966(11) 13_665 . ? Sr3 Ge1 Sr1 126.428(15) 1_655 . ? Sr3 Ge1 Sr1 60.966(11) . . ? Sr3 Ge1 Sr1 126.428(15) 13_655 . ? N1 Ge1 Sr1 112.16(7) 3_655 2_655 ? N1 Ge1 Sr1 112.16(7) 4 2_655 ? Sr2 Ge1 Sr1 163.385(18) . 2_655 ? Sr2 Ge1 Sr1 96.658(17) 2_655 2_655 ? Sr1 Ge1 Sr1 62.192(13) 4 2_655 ? Sr1 Ge1 Sr1 62.192(13) 3_655 2_655 ? Sr3 Ge1 Sr1 126.428(15) 13_665 2_655 ? Sr3 Ge1 Sr1 60.966(11) 1_655 2_655 ? Sr3 Ge1 Sr1 126.428(15) . 2_655 ? Sr3 Ge1 Sr1 60.966(11) 13_655 2_655 ? Sr1 Ge1 Sr1 99.96(3) . 2_655 ? Sr1 Ge2 Sr1 86.56(2) 3_655 4 ? Sr1 Ge2 Sr1 122.004(13) 3_655 10_655 ? Sr1 Ge2 Sr1 122.004(13) 4 10_655 ? Sr1 Ge2 Sr1 122.004(13) 3_655 9_665 ? Sr1 Ge2 Sr1 122.004(13) 4 9_665 ? Sr1 Ge2 Sr1 86.56(2) 10_655 9_665 ? Sr1 Ge2 Sr4 61.002(6) 3_655 9_665 ? Sr1 Ge2 Sr4 118.998(6) 4 9_665 ? Sr1 Ge2 Sr4 118.998(6) 10_655 9_665 ? Sr1 Ge2 Sr4 61.002(7) 9_665 9_665 ? Sr1 Ge2 Sr4 118.998(6) 3_655 9_655 ? Sr1 Ge2 Sr4 61.002(6) 4 9_655 ? Sr1 Ge2 Sr4 61.002(6) 10_655 9_655 ? Sr1 Ge2 Sr4 118.998(6) 9_665 9_655 ? Sr4 Ge2 Sr4 180 9_665 9_655 ? Sr1 Ge2 Sr4 61.002(6) 3_655 1_655 ? Sr1 Ge2 Sr4 118.998(6) 4 1_655 ? Sr1 Ge2 Sr4 61.002(7) 10_655 1_655 ? Sr1 Ge2 Sr4 118.998(6) 9_665 1_655 ? Sr4 Ge2 Sr4 90 9_665 1_655 ? Sr4 Ge2 Sr4 90 9_655 1_655 ? Sr1 Ge2 Sr4 118.998(7) 3_655 . ? Sr1 Ge2 Sr4 61.002(6) 4 . ? Sr1 Ge2 Sr4 118.998(7) 10_655 . ? Sr1 Ge2 Sr4 61.002(6) 9_665 . ? Sr4 Ge2 Sr4 90 9_665 . ? Sr4 Ge2 Sr4 90 9_655 . ? Sr4 Ge2 Sr4 180 1_655 . ? Sr1 Ge2 Sr1 173.513(11) 3_655 12_655 ? Sr1 Ge2 Sr1 86.951(18) 4 12_655 ? Sr1 Ge2 Sr1 61.952(10) 10_655 12_655 ? Sr1 Ge2 Sr1 61.953(10) 9_665 12_655 ? Sr4 Ge2 Sr1 122.672(5) 9_665 12_655 ? Sr4 Ge2 Sr1 57.328(5) 9_655 12_655 ? Sr4 Ge2 Sr1 122.672(5) 1_655 12_655 ? Sr4 Ge2 Sr1 57.328(5) . 12_655 ? Sr1 Ge2 Sr1 61.953(10) 3_655 2_655 ? Sr1 Ge2 Sr1 61.953(10) 4 2_655 ? Sr1 Ge2 Sr1 86.951(18) 10_655 2_655 ? Sr1 Ge2 Sr1 173.513(11) 9_665 2_655 ? Sr4 Ge2 Sr1 122.672(5) 9_665 2_655 ? Sr4 Ge2 Sr1 57.328(5) 9_655 2_655 ? Sr4 Ge2 Sr1 57.328(5) 1_655 2_655 ? Sr4 Ge2 Sr1 122.672(5) . 2_655 ? Sr1 Ge2 Sr1 114.656(11) 12_655 2_655 ? Sr1 Ge2 Sr1 61.953(10) 3_655 . ? Sr1 Ge2 Sr1 61.953(10) 4 . ? Sr1 Ge2 Sr1 173.513(11) 10_655 . ? Sr1 Ge2 Sr1 86.951(18) 9_665 . ? Sr4 Ge2 Sr1 57.328(5) 9_665 . ? Sr4 Ge2 Sr1 122.672(6) 9_655 . ? Sr4 Ge2 Sr1 122.672(5) 1_655 . ? Sr4 Ge2 Sr1 57.328(5) . . ? Sr1 Ge2 Sr1 114.656(11) 12_655 . ? Sr1 Ge2 Sr1 99.54(2) 2_655 . ? Sr1 Ge2 Sr1 86.951(18) 3_655 11_665 ? Sr1 Ge2 Sr1 173.513(11) 4 11_665 ? Sr1 Ge2 Sr1 61.953(10) 10_655 11_665 ? Sr1 Ge2 Sr1 61.953(10) 9_665 11_665 ? Sr4 Ge2 Sr1 57.328(5) 9_665 11_665 ? Sr4 Ge2 Sr1 122.672(5) 9_655 11_665 ? Sr4 Ge2 Sr1 57.328(5) 1_655 11_665 ? Sr4 Ge2 Sr1 122.672(5) . 11_665 ? Sr1 Ge2 Sr1 99.54(2) 12_655 11_665 ? Sr1 Ge2 Sr1 114.656(11) 2_655 11_665 ? Sr1 Ge2 Sr1 114.656(11) . 11_665 ? Sr2 Ge3 Sr2 151.218(15) 9_666 2 ? Sr2 Ge3 Sr2 71.541(9) 9_666 12_656 ? Sr2 Ge3 Sr2 135.115(14) 2 12_656 ? Sr2 Ge3 Sr2 111.516(18) 9_666 10_556 ? Sr2 Ge3 Sr2 75.924(17) 2 10_556 ? Sr2 Ge3 Sr2 71.541(9) 12_656 10_556 ? Sr2 Ge3 Sr2 71.541(9) 9_666 11_566 ? Sr2 Ge3 Sr2 85.682(18) 2 11_566 ? Sr2 Ge3 Sr2 111.516(18) 12_656 11_566 ? Sr2 Ge3 Sr2 71.541(9) 10_556 11_566 ? Sr2 Ge3 Sr2 135.115(14) 9_666 4 ? Sr2 Ge3 Sr2 71.541(9) 2 4 ? Sr2 Ge3 Sr2 75.924(17) 12_656 4 ? Sr2 Ge3 Sr2 85.682(18) 10_556 4 ? Sr2 Ge3 Sr2 151.218(16) 11_566 4 ? Sr2 Ge3 Sr2 75.924(17) 9_666 . ? Sr2 Ge3 Sr2 111.516(18) 2 . ? Sr2 Ge3 Sr2 85.682(18) 12_656 . ? Sr2 Ge3 Sr2 151.218(15) 10_556 . ? Sr2 Ge3 Sr2 135.115(14) 11_566 . ? Sr2 Ge3 Sr2 71.541(9) 4 . ? Sr2 Ge3 Sr2 85.682(18) 9_666 3 ? Sr2 Ge3 Sr2 71.541(9) 2 3 ? Sr2 Ge3 Sr2 151.218(16) 12_656 3 ? Sr2 Ge3 Sr2 135.115(14) 10_556 3 ? Sr2 Ge3 Sr2 75.924(17) 11_566 3 ? Sr2 Ge3 Sr2 111.516(18) 4 3 ? Sr2 Ge3 Sr2 71.541(9) . 3 ? Ge1 N1 Sr2 175.8(2) 3 . ? Ge1 N1 Sr2 84.39(12) 3 4_565 ? Sr2 N1 Sr2 92.32(12) . 4_565 ? Ge1 N1 Sr2 84.39(12) 3 3 ? Sr2 N1 Sr2 92.32(12) . 3 ? Sr2 N1 Sr2 77.77(11) 4_565 3 ? Ge1 N1 Sr3 98.36(10) 3 . ? Sr2 N1 Sr3 83.52(9) . . ? Sr2 N1 Sr3 155.23(13) 4_565 . ? Sr2 N1 Sr3 78.01(3) 3 . ? Ge1 N1 Sr3 98.36(10) 3 13_665 ? Sr2 N1 Sr3 83.52(9) . 13_665 ? Sr2 N1 Sr3 78.01(3) 4_565 13_665 ? Sr2 N1 Sr3 155.23(13) 3 13_665 ? Sr3 N1 Sr3 125.40(14) . 13_665 ? Sr3 N2 Sr1 95.82(12) . 2 ? Sr3 N2 Sr1 95.82(12) . . ? Sr1 N2 Sr1 168.4(2) 2 . ? Sr3 N2 Sr1 95.82(12) . 3 ? Sr1 N2 Sr1 89.41(2) 2 3 ? Sr1 N2 Sr1 89.41(2) . 3 ? Sr3 N2 Sr1 95.82(12) . 4 ? Sr1 N2 Sr1 89.41(2) 2 4 ? Sr1 N2 Sr1 89.41(2) . 4 ? Sr1 N2 Sr1 168.4(2) 3 4 ? Sr3 N2 Sr4 180 . . ? Sr1 N2 Sr4 84.18(12) 2 . ? Sr1 N2 Sr4 84.18(12) . . ? Sr1 N2 Sr4 84.18(12) 3 . ? Sr1 N2 Sr4 84.18(12) 4 . ?