data_compound3 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C100 H104 Mn2 N2 Si2' _chemical_formula_weight 1499.91 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' 'N' 'N' 0.0061 0.0033 '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' 'Mn' 'Mn' 0.3368 0.7283 '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)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 15.7018(6) _cell_length_b 10.3770(3) _cell_length_c 26.7505(9) _cell_angle_alpha 90.00 _cell_angle_beta 106.562(3) _cell_angle_gamma 90.00 _cell_volume 4177.8(2) _cell_formula_units_Z 2 _cell_measurement_temperature 123(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description 'block' _exptl_crystal_colour 'dark red' _exptl_crystal_size_max 0.24 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.192 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1592 _exptl_absorpt_coefficient_mu 0.379 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.912 _exptl_absorpt_correction_T_max 0.945 _exptl_absorpt_process_details 'Sortav (Blessing)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 123(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 X8' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 26070 _diffrn_reflns_av_R_equivalents 0.0281 _diffrn_reflns_av_sigmaI/netI 0.0330 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -32 _diffrn_reflns_limit_l_max 32 _diffrn_reflns_theta_min 2.36 _diffrn_reflns_theta_max 26.00 _reflns_number_total 8203 _reflns_number_gt 6804 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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. two molecules of toluene of crystallisation was located in the asymmetric unit and their carbon atoms refined anisotropically. ; _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^)+(0.0563P)^2^+2.8703P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 8203 _refine_ls_number_parameters 484 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0545 _refine_ls_R_factor_gt 0.0430 _refine_ls_wR_factor_ref 0.1183 _refine_ls_wR_factor_gt 0.1101 _refine_ls_goodness_of_fit_ref 1.021 _refine_ls_restrained_S_all 1.021 _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 Mn1 Mn 0.46911(2) 0.46826(3) 0.041046(12) 0.02905(11) Uani 1 1 d . . . Si1 Si 0.47084(4) 0.17375(5) 0.08021(2) 0.02117(13) Uani 1 1 d . . . N1 N 0.43912(10) 0.33127(15) 0.08530(6) 0.0180(3) Uani 1 1 d . . . C1 C 0.39792(12) 0.36183(16) 0.12459(7) 0.0161(4) Uani 1 1 d . . . C2 C 0.30490(12) 0.36347(17) 0.11425(7) 0.0175(4) Uani 1 1 d . . . C3 C 0.26711(12) 0.38872(18) 0.15447(7) 0.0202(4) Uani 1 1 d . . . H3 H 0.2042 0.3883 0.1470 0.024 Uiso 1 1 calc R . . C4 C 0.31809(13) 0.41439(19) 0.20489(7) 0.0216(4) Uani 1 1 d . . . C5 C 0.41003(13) 0.42040(18) 0.21442(7) 0.0205(4) Uani 1 1 d . . . H5 H 0.4461 0.4413 0.2484 0.025 Uiso 1 1 calc R . . C6 C 0.45009(12) 0.39643(17) 0.17521(7) 0.0170(4) Uani 1 1 d . . . C7 C 0.27518(15) 0.4373(2) 0.24789(8) 0.0332(5) Uani 1 1 d . . . H7A H 0.2111 0.4221 0.2346 0.050 Uiso 1 1 calc R . . H7B H 0.2858 0.5264 0.2602 0.050 Uiso 1 1 calc R . . H7C H 0.3008 0.3782 0.2769 0.050 Uiso 1 1 calc R . . C8 C 0.24708(12) 0.34484(18) 0.05840(7) 0.0180(4) Uani 1 1 d . . . H8 H 0.2756 0.2748 0.0431 0.022 Uiso 1 1 calc R . . C9 C 0.24596(12) 0.46401(18) 0.02500(7) 0.0203(4) Uani 1 1 d . . . C10 C 0.26771(15) 0.5862(2) 0.04571(9) 0.0311(5) Uani 1 1 d . . . H10 H 0.2855 0.5974 0.0825 0.037 Uiso 1 1 calc R . . C11 C 0.26392(16) 0.6924(2) 0.01350(10) 0.0385(6) Uani 1 1 d . . . H11 H 0.2795 0.7752 0.0284 0.046 Uiso 1 1 calc R . . C12 C 0.23770(14) 0.6781(2) -0.03972(9) 0.0345(5) Uani 1 1 d . . . H12 H 0.2343 0.7510 -0.0617 0.041 Uiso 1 1 calc R . . C13 C 0.21631(14) 0.5576(2) -0.06108(9) 0.0322(5) Uani 1 1 d . . . H13 H 0.1985 0.5472 -0.0979 0.039 Uiso 1 1 calc R . . C14 C 0.22068(14) 0.4518(2) -0.02922(8) 0.0269(4) Uani 1 1 d . . . H14 H 0.2062 0.3691 -0.0445 0.032 Uiso 1 1 calc R . . C15 C 0.15417(12) 0.29750(18) 0.05591(7) 0.0196(4) Uani 1 1 d . . . C16 C 0.08104(13) 0.3786(2) 0.04592(8) 0.0267(4) Uani 1 1 d . . . H16 H 0.0877 0.4676 0.0396 0.032 Uiso 1 1 calc R . . C17 C -0.00218(14) 0.3305(2) 0.04515(9) 0.0339(5) Uani 1 1 d . . . H17 H -0.0519 0.3868 0.0381 0.041 Uiso 1 1 calc R . . C18 C -0.01290(14) 0.2022(2) 0.05454(9) 0.0339(5) Uani 1 1 d . . . H18 H -0.0698 0.1697 0.0538 0.041 Uiso 1 1 calc R . . C19 C 0.05957(15) 0.1206(2) 0.06509(9) 0.0330(5) Uani 1 1 d . . . H19 H 0.0528 0.0319 0.0719 0.040 Uiso 1 1 calc R . . C20 C 0.14220(13) 0.1686(2) 0.06576(8) 0.0251(4) Uani 1 1 d . . . H20 H 0.1918 0.1120 0.0731 0.030 Uiso 1 1 calc R . . C21 C 0.54901(12) 0.41851(17) 0.18379(7) 0.0177(4) Uani 1 1 d . . . H21 H 0.5709 0.3443 0.1670 0.021 Uiso 1 1 calc R . . C22 C 0.56567(13) 0.53968(18) 0.15556(7) 0.0196(4) Uani 1 1 d . . . C23 C 0.50164(14) 0.63449(19) 0.13841(9) 0.0294(5) Uani 1 1 d . . . H23 H 0.4448 0.6244 0.1439 0.035 Uiso 1 1 calc R . . C24 C 0.51976(16) 0.7442(2) 0.11331(10) 0.0382(6) Uani 1 1 d . . . H24 H 0.4747 0.8071 0.1009 0.046 Uiso 1 1 calc R . . C25 C 0.60221(17) 0.7622(2) 0.10632(9) 0.0371(5) Uani 1 1 d . . . H25 H 0.6149 0.8385 0.0901 0.045 Uiso 1 1 calc R . . C26 C 0.66644(16) 0.6686(2) 0.12304(9) 0.0335(5) Uani 1 1 d . . . H26 H 0.7237 0.6803 0.1184 0.040 Uiso 1 1 calc R . . C27 C 0.64762(14) 0.5577(2) 0.14654(8) 0.0275(4) Uani 1 1 d . . . H27 H 0.6917 0.4925 0.1567 0.033 Uiso 1 1 calc R . . C28 C 0.60316(12) 0.41793(18) 0.24093(7) 0.0193(4) Uani 1 1 d . . . C29 C 0.62769(13) 0.30008(19) 0.26595(8) 0.0236(4) Uani 1 1 d . . . H29 H 0.6079 0.2223 0.2476 0.028 Uiso 1 1 calc R . . C30 C 0.68040(14) 0.2948(2) 0.31712(8) 0.0293(5) Uani 1 1 d . . . H30 H 0.6972 0.2138 0.3335 0.035 Uiso 1 1 calc R . . C31 C 0.70866(15) 0.4074(2) 0.34440(8) 0.0333(5) Uani 1 1 d . . . H31 H 0.7453 0.4041 0.3794 0.040 Uiso 1 1 calc R . . C32 C 0.68338(16) 0.5244(2) 0.32048(9) 0.0338(5) Uani 1 1 d . . . H32 H 0.7020 0.6019 0.3393 0.041 Uiso 1 1 calc R . . C33 C 0.63082(14) 0.5298(2) 0.26901(8) 0.0267(4) Uani 1 1 d . . . H33 H 0.6137 0.6112 0.2530 0.032 Uiso 1 1 calc R . . C34 C 0.52549(17) 0.0981(2) 0.14504(9) 0.0351(5) Uani 1 1 d . . . H34A H 0.5866 0.1299 0.1581 0.053 Uiso 1 1 calc R . . H34B H 0.5262 0.0042 0.1411 0.053 Uiso 1 1 calc R . . H34C H 0.4923 0.1206 0.1698 0.053 Uiso 1 1 calc R . . C35 C 0.55165(17) 0.1705(2) 0.04121(10) 0.0397(6) Uani 1 1 d . . . H35A H 0.5231 0.2031 0.0060 0.060 Uiso 1 1 calc R . . H35B H 0.5717 0.0818 0.0390 0.060 Uiso 1 1 calc R . . H35C H 0.6028 0.2248 0.0580 0.060 Uiso 1 1 calc R . . C36 C 0.37670(15) 0.0653(2) 0.04673(9) 0.0307(5) Uani 1 1 d . . . H36A H 0.3339 0.0613 0.0671 0.046 Uiso 1 1 calc R . . H36B H 0.3996 -0.0213 0.0437 0.046 Uiso 1 1 calc R . . H36C H 0.3473 0.0992 0.0119 0.046 Uiso 1 1 calc R . . C37 C 0.02356(17) 0.2954(2) 0.37942(9) 0.0405(6) Uani 1 1 d . . . C38 C 0.07307(19) 0.3384(3) 0.42719(10) 0.0474(7) Uani 1 1 d . . . H38 H 0.0550 0.3180 0.4572 0.057 Uiso 1 1 calc R . . C39 C 0.1476(2) 0.4097(3) 0.43246(11) 0.0516(7) Uani 1 1 d . . . H39 H 0.1809 0.4383 0.4661 0.062 Uiso 1 1 calc R . . C40 C 0.17546(19) 0.4413(3) 0.38923(13) 0.0559(8) Uani 1 1 d . . . H40 H 0.2279 0.4907 0.3930 0.067 Uiso 1 1 calc R . . C41 C 0.1254(2) 0.3994(3) 0.34032(12) 0.0535(7) Uani 1 1 d . . . H41 H 0.1431 0.4204 0.3102 0.064 Uiso 1 1 calc R . . C42 C 0.05045(19) 0.3277(3) 0.33590(10) 0.0449(6) Uani 1 1 d . . . H42 H 0.0162 0.2996 0.3024 0.054 Uiso 1 1 calc R . . C43 C -0.0586(2) 0.2142(3) 0.37423(13) 0.0631(8) Uani 1 1 d . . . H43A H -0.0417 0.1231 0.3791 0.095 Uiso 1 1 calc R . . H43B H -0.1001 0.2265 0.3395 0.095 Uiso 1 1 calc R . . H43C H -0.0871 0.2404 0.4008 0.095 Uiso 1 1 calc R . . C44 C 0.11422(16) 0.9750(3) 0.26887(10) 0.0424(6) Uani 1 1 d . . . C45 C 0.04666(16) 0.9752(3) 0.29289(10) 0.0434(6) Uani 1 1 d . . . H45 H 0.0117 1.0506 0.2913 0.052 Uiso 1 1 calc R . . C46 C 0.02936(17) 0.8688(3) 0.31888(10) 0.0452(6) Uani 1 1 d . . . H46 H -0.0177 0.8713 0.3346 0.054 Uiso 1 1 calc R . . C47 C 0.07947(17) 0.7585(3) 0.32235(10) 0.0468(6) Uani 1 1 d . . . H47 H 0.0678 0.6854 0.3408 0.056 Uiso 1 1 calc R . . C48 C 0.14672(17) 0.7558(3) 0.29877(11) 0.0498(7) Uani 1 1 d . . . H48 H 0.1816 0.6802 0.3007 0.060 Uiso 1 1 calc R . . C49 C 0.16384(16) 0.8628(3) 0.27218(11) 0.0476(7) Uani 1 1 d . . . H49 H 0.2103 0.8594 0.2559 0.057 Uiso 1 1 calc R . . C50 C 0.1326(2) 1.0906(3) 0.24013(13) 0.0634(8) Uani 1 1 d . . . H50A H 0.1137 1.0732 0.2026 0.095 Uiso 1 1 calc R . . H50B H 0.1964 1.1094 0.2513 0.095 Uiso 1 1 calc R . . H50C H 0.0997 1.1648 0.2477 0.095 Uiso 1 1 calc R . . 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 Mn1 0.0429(2) 0.02334(18) 0.02669(19) 0.00297(13) 0.01924(15) -0.00206(13) Si1 0.0239(3) 0.0196(3) 0.0215(3) -0.0015(2) 0.0089(2) 0.0023(2) N1 0.0188(8) 0.0205(8) 0.0165(8) -0.0008(6) 0.0076(6) -0.0010(6) C1 0.0204(9) 0.0133(8) 0.0164(9) 0.0007(7) 0.0080(7) 0.0001(7) C2 0.0189(9) 0.0154(9) 0.0183(9) 0.0002(7) 0.0057(7) 0.0001(7) C3 0.0170(9) 0.0225(10) 0.0227(10) -0.0012(8) 0.0082(8) -0.0013(7) C4 0.0233(10) 0.0237(10) 0.0211(10) -0.0032(8) 0.0114(8) -0.0030(8) C5 0.0220(10) 0.0226(10) 0.0169(9) -0.0027(7) 0.0056(8) -0.0023(7) C6 0.0176(9) 0.0155(9) 0.0186(9) 0.0007(7) 0.0065(7) -0.0010(7) C7 0.0267(11) 0.0522(14) 0.0249(11) -0.0099(10) 0.0139(9) -0.0065(10) C8 0.0175(9) 0.0207(9) 0.0162(9) -0.0015(7) 0.0057(7) 0.0001(7) C9 0.0147(9) 0.0251(10) 0.0225(10) 0.0021(8) 0.0074(8) -0.0008(7) C10 0.0338(12) 0.0290(11) 0.0266(11) 0.0017(9) 0.0022(9) -0.0046(9) C11 0.0366(13) 0.0267(12) 0.0474(15) 0.0049(10) 0.0043(11) -0.0079(9) C12 0.0200(11) 0.0399(13) 0.0449(14) 0.0210(11) 0.0115(10) 0.0023(9) C13 0.0276(11) 0.0455(13) 0.0266(11) 0.0106(10) 0.0127(9) 0.0074(10) C14 0.0252(11) 0.0329(11) 0.0243(11) 0.0018(9) 0.0099(8) 0.0025(8) C15 0.0196(9) 0.0261(10) 0.0130(9) -0.0020(7) 0.0043(7) -0.0024(7) C16 0.0237(10) 0.0276(11) 0.0306(11) 0.0021(9) 0.0107(9) -0.0002(8) C17 0.0210(11) 0.0440(13) 0.0391(13) 0.0063(10) 0.0123(9) 0.0035(9) C18 0.0224(11) 0.0456(14) 0.0347(12) 0.0049(10) 0.0098(9) -0.0094(9) C19 0.0320(12) 0.0323(12) 0.0325(12) 0.0057(9) 0.0059(9) -0.0097(9) C20 0.0237(10) 0.0274(11) 0.0219(10) 0.0022(8) 0.0027(8) -0.0009(8) C21 0.0176(9) 0.0177(9) 0.0189(9) -0.0018(7) 0.0069(7) -0.0003(7) C22 0.0220(10) 0.0192(9) 0.0175(9) -0.0039(7) 0.0053(8) -0.0024(7) C23 0.0242(11) 0.0215(10) 0.0419(13) 0.0002(9) 0.0085(9) -0.0006(8) C24 0.0395(13) 0.0208(11) 0.0502(15) 0.0058(10) 0.0062(11) -0.0006(9) C25 0.0524(15) 0.0241(11) 0.0366(13) 0.0016(10) 0.0155(11) -0.0117(10) C26 0.0395(13) 0.0304(12) 0.0376(13) -0.0034(10) 0.0221(10) -0.0104(10) C27 0.0280(11) 0.0275(11) 0.0309(11) -0.0014(9) 0.0147(9) -0.0008(8) C28 0.0150(9) 0.0247(10) 0.0196(9) -0.0008(8) 0.0070(7) -0.0014(7) C29 0.0228(10) 0.0251(10) 0.0235(10) 0.0000(8) 0.0075(8) -0.0025(8) C30 0.0269(11) 0.0357(12) 0.0248(11) 0.0075(9) 0.0069(9) 0.0006(9) C31 0.0292(12) 0.0470(14) 0.0202(10) -0.0010(10) 0.0012(9) -0.0016(10) C32 0.0377(13) 0.0355(13) 0.0252(11) -0.0102(9) 0.0039(9) -0.0041(10) C33 0.0292(11) 0.0244(11) 0.0253(11) -0.0023(8) 0.0058(9) 0.0010(8) C34 0.0492(14) 0.0212(11) 0.0293(12) -0.0010(9) 0.0022(10) 0.0074(9) C35 0.0436(14) 0.0333(12) 0.0539(15) -0.0010(11) 0.0325(12) 0.0058(10) C36 0.0360(12) 0.0213(10) 0.0337(12) -0.0054(9) 0.0083(10) 0.0016(9) C37 0.0465(14) 0.0425(14) 0.0340(13) 0.0106(11) 0.0140(11) 0.0235(11) C38 0.0541(17) 0.0534(16) 0.0344(14) 0.0126(12) 0.0121(12) 0.0279(13) C39 0.0519(17) 0.0546(17) 0.0396(15) 0.0007(13) -0.0010(13) 0.0262(14) C40 0.0431(16) 0.0391(15) 0.086(2) -0.0015(15) 0.0193(15) 0.0130(12) C41 0.069(2) 0.0478(16) 0.0537(17) -0.0002(13) 0.0344(15) 0.0066(14) C42 0.0575(17) 0.0470(15) 0.0321(13) 0.0017(11) 0.0157(12) 0.0114(12) C43 0.0607(19) 0.072(2) 0.063(2) 0.0104(16) 0.0272(16) 0.0067(16) C44 0.0269(12) 0.0565(16) 0.0406(14) -0.0051(12) 0.0046(10) 0.0029(11) C45 0.0344(13) 0.0534(16) 0.0398(14) -0.0109(12) 0.0067(11) 0.0086(11) C46 0.0380(14) 0.0589(17) 0.0401(14) -0.0130(12) 0.0133(11) -0.0006(12) C47 0.0442(15) 0.0500(16) 0.0413(14) -0.0097(12) 0.0041(12) -0.0029(12) C48 0.0342(14) 0.0486(16) 0.0592(17) -0.0198(14) 0.0014(12) 0.0038(11) C49 0.0255(12) 0.0620(18) 0.0544(16) -0.0187(14) 0.0101(11) 0.0014(11) C50 0.0452(17) 0.078(2) 0.071(2) 0.0103(17) 0.0237(15) 0.0092(15) _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 Mn1 N1 1.9904(15) . ? Mn1 Mn1 2.7224(6) 3_665 ? Si1 N1 1.7254(16) . ? Si1 C35 1.859(2) . ? Si1 C36 1.871(2) . ? Si1 C34 1.874(2) . ? N1 C1 1.418(2) . ? C1 C2 1.407(3) . ? C1 C6 1.414(3) . ? C2 C3 1.394(3) . ? C2 C8 1.523(2) . ? C3 C4 1.384(3) . ? C4 C5 1.394(3) . ? C4 C7 1.508(3) . ? C5 C6 1.391(3) . ? C6 C21 1.521(2) . ? C8 C15 1.523(3) . ? C8 C9 1.523(3) . ? C9 C10 1.386(3) . ? C9 C14 1.396(3) . ? C10 C11 1.389(3) . ? C11 C12 1.373(3) . ? C12 C13 1.376(3) . ? C13 C14 1.380(3) . ? C15 C20 1.386(3) . ? C15 C16 1.387(3) . ? C16 C17 1.394(3) . ? C17 C18 1.374(3) . ? C18 C19 1.381(3) . ? C19 C20 1.385(3) . ? C21 C28 1.523(3) . ? C21 C22 1.527(3) . ? C22 C27 1.388(3) . ? C22 C23 1.388(3) . ? C23 C24 1.392(3) . ? C24 C25 1.373(3) . ? C25 C26 1.380(3) . ? C26 C27 1.383(3) . ? C28 C33 1.384(3) . ? C28 C29 1.395(3) . ? C29 C30 1.384(3) . ? C30 C31 1.382(3) . ? C31 C32 1.376(3) . ? C32 C33 1.390(3) . ? C37 C38 1.368(4) . ? C37 C42 1.388(3) . ? C37 C43 1.513(4) . ? C38 C39 1.357(4) . ? C39 C40 1.388(4) . ? C40 C41 1.390(4) . ? C41 C42 1.368(4) . ? C44 C45 1.388(4) . ? C44 C49 1.389(4) . ? C44 C50 1.496(4) . ? C45 C46 1.373(4) . ? C46 C47 1.377(4) . ? C47 C48 1.376(4) . ? C48 C49 1.386(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 N1 Mn1 Mn1 148.39(5) . 3_665 ? N1 Si1 C35 108.68(9) . . ? N1 Si1 C36 113.65(9) . . ? C35 Si1 C36 107.04(11) . . ? N1 Si1 C34 112.97(9) . . ? C35 Si1 C34 107.82(12) . . ? C36 Si1 C34 106.38(10) . . ? C1 N1 Si1 118.24(12) . . ? C1 N1 Mn1 121.09(11) . . ? Si1 N1 Mn1 120.47(8) . . ? C2 C1 C6 118.07(16) . . ? C2 C1 N1 121.61(16) . . ? C6 C1 N1 120.28(16) . . ? C3 C2 C1 119.81(17) . . ? C3 C2 C8 121.00(16) . . ? C1 C2 C8 119.11(16) . . ? C4 C3 C2 122.22(17) . . ? C3 C4 C5 117.91(17) . . ? C3 C4 C7 120.90(17) . . ? C5 C4 C7 121.18(18) . . ? C6 C5 C4 121.43(17) . . ? C5 C6 C1 120.29(16) . . ? C5 C6 C21 121.40(16) . . ? C1 C6 C21 118.06(16) . . ? C15 C8 C9 112.68(15) . . ? C15 C8 C2 112.31(15) . . ? C9 C8 C2 112.11(15) . . ? C10 C9 C14 117.56(18) . . ? C10 C9 C8 123.20(18) . . ? C14 C9 C8 119.23(17) . . ? C9 C10 C11 121.0(2) . . ? C12 C11 C10 120.3(2) . . ? C11 C12 C13 119.6(2) . . ? C12 C13 C14 120.2(2) . . ? C13 C14 C9 121.3(2) . . ? C20 C15 C16 118.19(18) . . ? C20 C15 C8 118.88(17) . . ? C16 C15 C8 122.89(17) . . ? C15 C16 C17 120.5(2) . . ? C18 C17 C16 120.5(2) . . ? C17 C18 C19 119.6(2) . . ? C18 C19 C20 119.8(2) . . ? C19 C20 C15 121.4(2) . . ? C6 C21 C28 113.88(15) . . ? C6 C21 C22 111.15(15) . . ? C28 C21 C22 111.98(15) . . ? C27 C22 C23 117.87(18) . . ? C27 C22 C21 119.65(17) . . ? C23 C22 C21 122.48(17) . . ? C22 C23 C24 120.7(2) . . ? C25 C24 C23 120.5(2) . . ? C24 C25 C26 119.4(2) . . ? C25 C26 C27 120.1(2) . . ? C26 C27 C22 121.3(2) . . ? C33 C28 C29 118.32(18) . . ? C33 C28 C21 122.72(18) . . ? C29 C28 C21 118.95(17) . . ? C30 C29 C28 120.98(19) . . ? C31 C30 C29 120.0(2) . . ? C32 C31 C30 119.5(2) . . ? C31 C32 C33 120.5(2) . . ? C28 C33 C32 120.6(2) . . ? C38 C37 C42 118.5(3) . . ? C38 C37 C43 120.7(2) . . ? C42 C37 C43 120.9(2) . . ? C39 C38 C37 121.3(3) . . ? C38 C39 C40 120.6(3) . . ? C39 C40 C41 118.8(3) . . ? C42 C41 C40 119.5(3) . . ? C41 C42 C37 121.3(3) . . ? C45 C44 C49 117.4(3) . . ? C45 C44 C50 121.4(2) . . ? C49 C44 C50 121.2(3) . . ? C46 C45 C44 121.4(2) . . ? C45 C46 C47 120.7(3) . . ? C48 C47 C46 119.0(3) . . ? C47 C48 C49 120.4(3) . . ? C48 C49 C44 121.1(2) . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.939 _refine_diff_density_min -0.535 _refine_diff_density_rms 0.054