#------------------------------------------------------------------------------
#$Date: 2022-07-30 01:06:26 +0300 (Sat, 30 Jul 2022) $
#$Revision: 277001 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/73/1567399.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1567399
loop_
_publ_author_name
'Kalra, Shweta'
'Pividori, Daniel'
'Fehn, Dominik'
'Dai, Chenshu'
'Dong, Shicheng'
'Yao, Shenglai'
'Zhu, Jun'
'Meyer, Karsten'
'Driess, Matthias'
_publ_section_title
;
 A bis(silylene)pyridine pincer ligand can stabilize mononuclear
 manganese(0) complexes: facile access to isolable analogues of the
 elusive d7-Mn(CO)5 radical
;
_journal_issue                   29
_journal_name_full               'Chemical Science'
_journal_page_first              8634
_journal_page_last               8641
_journal_paper_doi               10.1039/D2SC03352F
_journal_volume                  13
_journal_year                    2022
_chemical_formula_sum            'C48 H65 Mn N7 O3 Si2'
_chemical_formula_weight         899.19
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc2c13q8
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-05-30 deposited with the CCDC.	2022-07-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.606(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.1252(3)
_cell_length_b                   18.0882(5)
_cell_length_c                   13.3966(5)
_cell_measurement_reflns_used    3349
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      73.8790
_cell_measurement_theta_min      3.3690
_cell_volume                     2384.69(13)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150.01(10)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Cu Kα'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_unetI/netI     0.0603
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9115
_diffrn_reflns_point_group_measured_fraction_full 0.702
_diffrn_reflns_point_group_measured_fraction_max 0.702
_diffrn_reflns_theta_full        67.485
_diffrn_reflns_theta_max         67.485
_diffrn_reflns_theta_min         3.394
_diffrn_source                   'SuperNova, Single source at offset/far, Atlas'
_exptl_absorpt_coefficient_mu    3.105
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55718
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_description       'rectangular blocks'
_exptl_crystal_F_000             958
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.060
_refine_ls_abs_structure_details
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.019(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         6018
_refine_ls_number_restraints     181
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0696P)²+1.4954P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1399
_reflns_Friedel_coverage         0.358
_reflns_Friedel_fraction_full    0.384
_reflns_Friedel_fraction_max     0.384
_reflns_number_gt                5332
_reflns_number_total             6018
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc03352f2.cif
_cod_data_source_block           CU-3991
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1567399
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.499
_shelx_estimated_absorpt_t_max   0.688
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.27558(8) 0.39225(6) 0.27812(7) 0.0265(2) Uani 1 1 d . . . . .
Si1 Si 0.06790(15) 0.34661(9) 0.21880(12) 0.0263(3) Uani 1 1 d . . . . .
Si2 Si 0.22923(15) 0.43447(10) 0.43332(13) 0.0294(4) Uani 1 1 d . . . . .
N2 N -0.0835(5) 0.3744(3) 0.2542(4) 0.0298(11) Uani 1 1 d . . . . .
N1 N 0.0285(5) 0.4582(3) 0.3749(4) 0.0278(10) Uani 1 1 d . . . . .
O3 O 0.3501(5) 0.3234(3) 0.0999(3) 0.0463(12) Uani 1 1 d . . . . .
N7 N 0.0039(5) 0.3373(3) 0.0769(4) 0.0282(10) Uani 1 1 d . . . . .
N6 N 0.0326(5) 0.2473(3) 0.1840(4) 0.0302(11) Uani 1 1 d . . . . .
N4 N 0.2095(5) 0.3726(3) 0.5403(4) 0.0325(12) Uani 1 1 d . . . . .
N5 N 0.3992(4) 0.4310(4) 0.5478(4) 0.0388(14) Uani 1 1 d . . . . .
N3 N 0.1818(5) 0.5262(3) 0.4694(4) 0.0345(12) Uani 1 1 d . . . . .
O2 O 0.4447(5) 0.5235(3) 0.2639(4) 0.0582(15) Uani 1 1 d . . . . .
C40 C 0.3704(6) 0.3228(4) 0.3573(5) 0.0324(14) Uani 1 1 d . . . . .
C12 C -0.1382(7) 0.1724(4) -0.0327(6) 0.0410(16) Uani 1 1 d . . . . .
H12 H -0.204792 0.176999 0.006460 0.049 Uiso 1 1 calc R U . . .
C20 C -0.0402(6) 0.3877(4) -0.0122(4) 0.0343(13) Uani 1 1 d . . . . .
O1 O 0.4280(5) 0.2747(3) 0.4075(4) 0.0462(12) Uani 1 1 d . . . . .
C42 C 0.3148(6) 0.3520(4) 0.1675(5) 0.0382(15) Uani 1 1 d . . . . .
C8 C 0.0785(7) 0.2043(4) -0.0629(5) 0.0369(14) Uani 1 1 d . . . . .
H8 H 0.161134 0.231354 -0.045009 0.044 Uiso 1 1 calc R U . . .
C5 C -0.0877(5) 0.4391(4) 0.3073(4) 0.0284(12) Uani 1 1 d . . . . .
C6 C 0.0051(6) 0.2648(4) 0.0825(5) 0.0290(12) Uani 1 1 d . . . . .
C1 C 0.0483(6) 0.5248(4) 0.4204(5) 0.0329(14) Uani 1 1 d . . . . .
C38 C -0.2171(6) 0.3423(4) 0.2026(5) 0.0357(14) Uani 1 1 d . . . . .
H38A H -0.203559 0.305722 0.150971 0.043 Uiso 1 1 calc R U . . .
H38B H -0.276296 0.382071 0.165947 0.043 Uiso 1 1 calc R U . . .
C28 C 0.0970(6) 0.3476(4) 0.5870(5) 0.0323(13) Uani 1 1 d . . . . .
C2 C -0.0582(7) 0.5754(4) 0.4121(5) 0.0391(15) Uani 1 1 d . . . . .
H2 H -0.046041 0.622272 0.444860 0.047 Uiso 1 1 calc R U . . .
C4 C -0.1996(6) 0.4863(4) 0.2993(5) 0.0337(14) Uani 1 1 d . . . . .
H4 H -0.285837 0.472940 0.257744 0.040 Uiso 1 1 calc R U . . .
C41 C 0.3824(6) 0.4715(4) 0.2749(5) 0.0386(16) Uani 1 1 d . . . . .
C10 C -0.0670(9) 0.1190(4) -0.1752(6) 0.052(2) Uani 1 1 d . . . . .
H10 H -0.085266 0.088200 -0.234289 0.062 Uiso 1 1 calc R U . . .
C13 C 0.3414(5) 0.3813(5) 0.5934(4) 0.0374(16) Uani 1 1 d . . . . .
C3 C -0.1832(7) 0.5524(4) 0.3524(6) 0.0425(17) Uani 1 1 d . . . . .
H3 H -0.260201 0.583273 0.348156 0.051 Uiso 1 1 calc R U . . .
C7 C -0.0165(6) 0.2125(4) -0.0048(5) 0.0339(14) Uani 1 1 d . . . . .
C36 C 0.2401(8) 0.5878(4) 0.5354(6) 0.0511(19) Uani 1 1 d . . . . .
H36A H 0.323690 0.570901 0.584368 0.061 Uiso 1 1 calc R U . . .
H36B H 0.174727 0.603769 0.575685 0.061 Uiso 1 1 calc R U . . .
C35A C 0.622(3) 0.460(2) 0.675(3) 0.042(5) Uani 0.390(14) 1 d . U P A 2
H35A H 0.654852 0.419152 0.721575 0.062 Uiso 0.390(14) 1 calc R U P A 2
H35B H 0.560066 0.491038 0.703641 0.062 Uiso 0.390(14) 1 calc R U P A 2
H35C H 0.698605 0.490149 0.665729 0.062 Uiso 0.390(14) 1 calc R U P A 2
C14 C 0.4042(6) 0.3350(6) 0.6832(6) 0.053(2) Uani 1 1 d . . . . .
C26 C 0.2238(7) 0.1590(4) 0.2108(6) 0.0444(17) Uani 1 1 d . . . . .
H26A H 0.212370 0.152844 0.136556 0.067 Uiso 1 1 calc R U . . .
H26B H 0.260030 0.113221 0.245937 0.067 Uiso 1 1 calc R U . . .
H26C H 0.287136 0.199675 0.235028 0.067 Uiso 1 1 calc R U . . .
C9 C 0.0552(8) 0.1571(4) -0.1470(6) 0.0475(18) Uani 1 1 d . . . . .
H9 H 0.122563 0.150950 -0.185101 0.057 Uiso 1 1 calc R U . . .
C22 C -0.0950(9) 0.4584(4) 0.0273(6) 0.055(2) Uani 1 1 d . . . . .
H22A H -0.177669 0.446752 0.050226 0.082 Uiso 1 1 calc R U . . .
H22B H -0.115942 0.495033 -0.028043 0.082 Uiso 1 1 calc R U . . .
H22C H -0.026237 0.478470 0.085003 0.082 Uiso 1 1 calc R U . . .
C23 C 0.0821(8) 0.4092(5) -0.0534(6) 0.058(2) Uani 1 1 d . . . . .
H23A H 0.153530 0.429038 0.002642 0.086 Uiso 1 1 calc R U . . .
H23B H 0.055175 0.446901 -0.106869 0.086 Uiso 1 1 calc R U . . .
H23C H 0.116338 0.365532 -0.082530 0.086 Uiso 1 1 calc R U . . .
C29 C -0.0306(6) 0.3330(4) 0.5018(5) 0.0419(17) Uani 1 1 d . . . . .
H29A H -0.073277 0.380163 0.476483 0.063 Uiso 1 1 calc R U . . .
H29B H -0.094615 0.303036 0.529080 0.063 Uiso 1 1 calc R U . . .
H29C H -0.005352 0.306468 0.445206 0.063 Uiso 1 1 calc R U . . .
C11 C -0.1610(8) 0.1263(4) -0.1169(6) 0.0500(19) Uani 1 1 d . . . . .
H11 H -0.243333 0.098994 -0.134989 0.060 Uiso 1 1 calc R U . . .
C33 C 0.5492(11) 0.5371(7) 0.5168(10) 0.041(3) Uani 0.610(14) 1 d . U P A 1
H33A H 0.488888 0.538961 0.447918 0.062 Uiso 0.610(14) 1 calc R U P A 1
H33B H 0.642597 0.547667 0.512429 0.062 Uiso 0.610(14) 1 calc R U P A 1
H33C H 0.520118 0.573953 0.560763 0.062 Uiso 0.610(14) 1 calc R U P A 1
C31 C 0.1286(8) 0.2755(5) 0.6474(9) 0.073(3) Uani 1 1 d . . . . .
H31A H 0.174642 0.241275 0.609936 0.110 Uiso 1 1 calc R U . . .
H31B H 0.043770 0.253076 0.655761 0.110 Uiso 1 1 calc R U . . .
H31C H 0.187747 0.285758 0.715078 0.110 Uiso 1 1 calc R U . . .
C39 C -0.2881(6) 0.3048(5) 0.2773(6) 0.0449(17) Uani 1 1 d . . . . .
H39A H -0.229878 0.265443 0.314173 0.067 Uiso 1 1 calc R U . . .
H39B H -0.374261 0.283431 0.239197 0.067 Uiso 1 1 calc R U . . .
H39C H -0.305999 0.341221 0.326615 0.067 Uiso 1 1 calc R U . . .
C32 C 0.5429(13) 0.4592(8) 0.5630(11) 0.033(3) Uani 0.610(14) 1 d . U P A 1
C18 C 0.4682(8) 0.3103(9) 0.8656(7) 0.083(4) Uani 1 1 d . . . . .
H18 H 0.472579 0.325315 0.934245 0.100 Uiso 1 1 calc R U . . .
C17 C 0.5109(10) 0.2426(9) 0.8469(10) 0.097(4) Uani 1 1 d . . . . .
H17 H 0.546524 0.210417 0.902715 0.116 Uiso 1 1 calc R U . . .
C24 C 0.0876(7) 0.1763(4) 0.2337(5) 0.0376(15) Uani 1 1 d . . . . .
C27 C 0.1043(8) 0.1888(4) 0.3494(5) 0.0435(16) Uani 1 1 d . . . . .
H27A H 0.167471 0.229846 0.372103 0.065 Uiso 1 1 calc R U . . .
H27B H 0.140285 0.143828 0.386822 0.065 Uiso 1 1 calc R U . . .
H27C H 0.015846 0.200773 0.363124 0.065 Uiso 1 1 calc R U . . .
C30 C 0.0658(8) 0.4092(5) 0.6555(6) 0.056(2) Uani 1 1 d . . . . .
H30A H 0.145136 0.417722 0.712224 0.085 Uiso 1 1 calc R U . . .
H30B H -0.011970 0.394900 0.683069 0.085 Uiso 1 1 calc R U . . .
H30C H 0.043978 0.454677 0.615128 0.085 Uiso 1 1 calc R U . . .
C21 C -0.1504(9) 0.3549(5) -0.0977(7) 0.071(3) Uani 1 1 d . . . . .
H21A H -0.114572 0.311444 -0.126152 0.106 Uiso 1 1 calc R U . . .
H21B H -0.179551 0.391856 -0.151978 0.106 Uiso 1 1 calc R U . . .
H21C H -0.228062 0.340381 -0.070216 0.106 Uiso 1 1 calc R U . . .
C25 C -0.0104(9) 0.1127(4) 0.2004(7) 0.055(2) Uani 1 1 d . . . . .
H25A H -0.102152 0.127998 0.203713 0.083 Uiso 1 1 calc R U . . .
H25B H 0.017853 0.070390 0.246237 0.083 Uiso 1 1 calc R U . . .
H25C H -0.010384 0.098450 0.129840 0.083 Uiso 1 1 calc R U . . .
C19 C 0.4163(7) 0.3599(6) 0.7829(5) 0.055(2) Uani 1 1 d . . . . .
H19 H 0.390466 0.408818 0.795791 0.066 Uiso 1 1 calc R U . . .
C37 C 0.2745(11) 0.6537(5) 0.4753(8) 0.070(3) Uani 1 1 d . . . . .
H37A H 0.344990 0.639445 0.439929 0.106 Uiso 1 1 calc R U . . .
H37B H 0.307741 0.694495 0.522730 0.106 Uiso 1 1 calc R U . . .
H37C H 0.192908 0.669517 0.424743 0.106 Uiso 1 1 calc R U . . .
C15 C 0.4499(9) 0.2644(6) 0.6652(8) 0.079(3) Uani 1 1 d . . . . .
H15 H 0.443939 0.247810 0.597040 0.095 Uiso 1 1 calc R U . . .
C16 C 0.5038(11) 0.2191(8) 0.7479(10) 0.099(4) Uani 1 1 d . . . . .
H16 H 0.536247 0.171368 0.736344 0.119 Uiso 1 1 calc R U . . .
C34 C 0.6210(9) 0.4066(7) 0.5084(10) 0.043(3) Uani 0.610(14) 1 d . U P A 1
H34A H 0.617066 0.356375 0.534981 0.064 Uiso 0.610(14) 1 calc R U P A 1
H34B H 0.715971 0.422531 0.520746 0.064 Uiso 0.610(14) 1 calc R U P A 1
H34C H 0.579995 0.407149 0.434429 0.064 Uiso 0.610(14) 1 calc R U P A 1
C43 C 0.3395(13) 0.5405(8) 0.9043(13) 0.066(3) Uani 0.67(2) 1 d D U P B 3
H43 H 0.251967 0.519966 0.877509 0.079 Uiso 0.67(2) 1 calc R U P B 3
C44 C 0.4202(12) 0.5122(10) 0.9919(14) 0.068(3) Uani 0.67(2) 1 d D U P B 3
H44 H 0.389214 0.471863 1.025699 0.081 Uiso 0.67(2) 1 calc R U P B 3
C48 C 0.3832(14) 0.5982(10) 0.8548(11) 0.063(3) Uani 0.67(2) 1 d D U P B 3
H48 H 0.328005 0.615738 0.791871 0.075 Uiso 0.67(2) 1 calc R U P B 3
C45 C 0.5448(13) 0.5415(10) 1.0308(11) 0.070(3) Uani 0.67(2) 1 d D U P B 3
H45 H 0.602574 0.521829 1.091277 0.084 Uiso 0.67(2) 1 calc R U P B 3
C47 C 0.5053(13) 0.6308(10) 0.8950(14) 0.066(3) Uani 0.67(2) 1 d D U P B 3
H47 H 0.533772 0.673427 0.864237 0.080 Uiso 0.67(2) 1 calc R U P B 3
C46 C 0.5851(14) 0.6000(9) 0.9811(13) 0.071(3) Uani 0.67(2) 1 d D U P B 3
H46 H 0.672955 0.620267 1.007768 0.085 Uiso 0.67(2) 1 calc R U P B 3
C34A C 0.6397(15) 0.3662(10) 0.5942(17) 0.045(4) Uani 0.390(14) 1 d . U P A 2
H34D H 0.735154 0.379908 0.601811 0.068 Uiso 0.390(14) 1 calc R U P A 2
H34E H 0.609427 0.335926 0.532408 0.068 Uiso 0.390(14) 1 calc R U P A 2
H34F H 0.630011 0.337983 0.654533 0.068 Uiso 0.390(14) 1 calc R U P A 2
C33A C 0.5843(17) 0.4804(13) 0.5004(18) 0.051(5) Uani 0.390(14) 1 d . U P A 2
H33D H 0.520110 0.521833 0.486753 0.077 Uiso 0.390(14) 1 calc R U P A 2
H33E H 0.574102 0.450384 0.438124 0.077 Uiso 0.390(14) 1 calc R U P A 2
H33F H 0.677278 0.499552 0.520644 0.077 Uiso 0.390(14) 1 calc R U P A 2
C32A C 0.556(2) 0.4339(14) 0.585(2) 0.043(4) Uani 0.390(14) 1 d . U P A 2
C35 C 0.593(2) 0.4749(13) 0.6820(15) 0.041(4) Uani 0.610(14) 1 d . U P A 1
H35D H 0.534481 0.512202 0.702472 0.061 Uiso 0.610(14) 1 calc R U P A 1
H35E H 0.686948 0.493171 0.696935 0.061 Uiso 0.610(14) 1 calc R U P A 1
H35F H 0.589381 0.429137 0.720309 0.061 Uiso 0.610(14) 1 calc R U P A 1
C48A C 0.371(3) 0.5474(14) 0.861(2) 0.052(5) Uani 0.33(2) 1 d D U P B 4
H48A H 0.305308 0.532756 0.801330 0.062 Uiso 0.33(2) 1 calc R U P B 4
C43A C 0.398(3) 0.5009(16) 0.945(2) 0.053(5) Uani 0.33(2) 1 d D U P B 4
H43A H 0.350877 0.455411 0.945194 0.064 Uiso 0.33(2) 1 calc R U P B 4
C45A C 0.565(3) 0.5901(15) 1.031(2) 0.060(5) Uani 0.33(2) 1 d D U P B 4
H45A H 0.630996 0.604483 1.090944 0.071 Uiso 0.33(2) 1 calc R U P B 4
C47A C 0.437(4) 0.6146(14) 0.860(2) 0.053(5) Uani 0.33(2) 1 d D U P B 4
H47A H 0.413494 0.646093 0.802137 0.063 Uiso 0.33(2) 1 calc R U P B 4
C46A C 0.536(3) 0.6355(17) 0.946(2) 0.056(5) Uani 0.33(2) 1 d D U P B 4
H46A H 0.584539 0.680522 0.945432 0.067 Uiso 0.33(2) 1 calc R U P B 4
C44A C 0.496(3) 0.5236(14) 1.030(2) 0.057(5) Uani 0.33(2) 1 d D U P B 4
H44A H 0.517074 0.492784 1.089160 0.069 Uiso 0.33(2) 1 calc R U P B 4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C40 Mn1 C42 90.8(3) . . ?
C40 Mn1 C41 109.5(3) . . ?
C42 Mn1 C41 93.0(3) . . ?
C40 Mn1 Si1 106.5(2) . . ?
C42 Mn1 Si1 85.9(2) . . ?
C41 Mn1 Si1 144.0(2) . . ?
C40 Mn1 Si2 83.9(2) . . ?
C42 Mn1 Si2 174.4(2) . . ?
C41 Mn1 Si2 90.5(2) . . ?
Si1 Mn1 Si2 93.87(6) . . ?
N2 Si1 N7 100.5(2) . . ?
N2 Si1 N6 102.2(2) . . ?
N7 Si1 N6 70.1(2) . . ?
N2 Si1 Mn1 126.94(18) . . ?
N7 Si1 Mn1 118.03(16) . . ?
N6 Si1 Mn1 123.70(17) . . ?
N2 Si1 C6 107.2(2) . . ?
N7 Si1 C6 34.4(2) . . ?
N6 Si1 C6 35.9(2) . . ?
Mn1 Si1 C6 125.37(15) . . ?
N3 Si2 N4 105.1(2) . . ?
N3 Si2 N5 93.3(3) . . ?
N4 Si2 N5 67.9(2) . . ?
N3 Si2 N1 67.1(2) . . ?
N4 Si2 N1 98.2(2) . . ?
N5 Si2 N1 152.9(2) . . ?
N3 Si2 Mn1 130.3(2) . . ?
N4 Si2 Mn1 124.13(18) . . ?
N5 Si2 Mn1 110.37(16) . . ?
N1 Si2 Mn1 96.69(15) . . ?
N3 Si2 C13 103.2(3) . . ?
N4 Si2 C13 34.9(2) . . ?
N5 Si2 C13 33.1(2) . . ?
N1 Si2 C13 130.5(2) . . ?
Mn1 Si2 C13 120.71(17) . . ?
C5 N2 C38 116.0(5) . . ?
C5 N2 Si1 120.7(4) . . ?
C38 N2 Si1 120.9(4) . . ?
C1 N1 C5 123.2(5) . . ?
C1 N1 Si2 89.2(4) . . ?
C5 N1 Si2 146.5(4) . . ?
C6 N7 C20 131.0(5) . . ?
C6 N7 Si1 92.1(4) . . ?
C20 N7 Si1 136.9(4) . . ?
C6 N6 C24 127.8(5) . . ?
C6 N6 Si1 90.5(4) . . ?
C24 N6 Si1 133.3(4) . . ?
C13 N4 C28 124.4(5) . . ?
C13 N4 Si2 93.6(4) . . ?
C28 N4 Si2 137.2(4) . . ?
C13 N5 C32 134.1(7) . . ?
C13 N5 C32A 114.3(11) . . ?
C13 N5 Si2 88.9(3) . . ?
C32 N5 Si2 135.6(6) . . ?
C32A N5 Si2 150.4(10) . . ?
C1 N3 C36 121.4(6) . . ?
C1 N3 Si2 98.6(4) . . ?
C36 N3 Si2 139.6(5) . . ?
O1 C40 Mn1 176.8(6) . . ?
C11 C12 C7 119.9(7) . . ?
N7 C20 C21 113.3(6) . . ?
N7 C20 C23 109.4(5) . . ?
C21 C20 C23 110.0(7) . . ?
N7 C20 C22 107.4(5) . . ?
C21 C20 C22 108.9(6) . . ?
C23 C20 C22 107.6(6) . . ?
O3 C42 Mn1 174.5(6) . . ?
C7 C8 C9 121.0(7) . . ?
N1 C5 N2 115.9(5) . . ?
N1 C5 C4 117.1(6) . . ?
N2 C5 C4 127.0(5) . . ?
N7 C6 N6 106.6(5) . . ?
N7 C6 C7 126.5(6) . . ?
N6 C6 C7 126.8(6) . . ?
N7 C6 Si1 53.5(3) . . ?
N6 C6 Si1 53.7(3) . . ?
C7 C6 Si1 172.7(4) . . ?
N1 C1 N3 105.1(5) . . ?
N1 C1 C2 121.3(6) . . ?
N3 C1 C2 133.5(6) . . ?
N2 C38 C39 112.8(5) . . ?
N4 C28 C30 108.6(5) . . ?
N4 C28 C31 113.2(6) . . ?
C30 C28 C31 110.7(7) . . ?
N4 C28 C29 109.4(5) . . ?
C30 C28 C29 108.5(6) . . ?
C31 C28 C29 106.3(6) . . ?
C3 C2 C1 115.5(6) . . ?
C3 C4 C5 119.4(6) . . ?
O2 C41 Mn1 173.9(6) . . ?
C11 C10 C9 119.4(7) . . ?
N5 C13 N4 109.1(6) . . ?
N5 C13 C14 128.1(5) . . ?
N4 C13 C14 122.6(7) . . ?
N5 C13 Si2 58.0(3) . . ?
N4 C13 Si2 51.4(3) . . ?
C14 C13 Si2 169.4(6) . . ?
C4 C3 C2 122.5(6) . . ?
C8 C7 C12 118.6(6) . . ?
C8 C7 C6 121.4(6) . . ?
C12 C7 C6 119.9(6) . . ?
N3 C36 C37 112.8(7) . . ?
C19 C14 C15 120.3(8) . . ?
C19 C14 C13 121.4(8) . . ?
C15 C14 C13 118.3(7) . . ?
C10 C9 C8 119.8(7) . . ?
C10 C11 C12 121.3(7) . . ?
N5 C32 C34 108.4(9) . . ?
N5 C32 C33 112.5(9) . . ?
C34 C32 C33 107.5(11) . . ?
N5 C32 C35 105.5(12) . . ?
C34 C32 C35 120.9(11) . . ?
C33 C32 C35 101.9(12) . . ?
C17 C18 C19 120.3(10) . . ?
C18 C17 C16 121.0(11) . . ?
N6 C24 C26 110.5(5) . . ?
N6 C24 C25 111.8(6) . . ?
C26 C24 C25 110.3(6) . . ?
N6 C24 C27 105.3(5) . . ?
C26 C24 C27 110.2(6) . . ?
C25 C24 C27 108.5(6) . . ?
C14 C19 C18 118.5(10) . . ?
C16 C15 C14 119.2(10) . . ?
C17 C16 C15 120.6(12) . . ?
C44 C43 C48 120.5(11) . . ?
C45 C44 C43 120.0(12) . . ?
C47 C48 C43 120.5(12) . . ?
C44 C45 C46 118.4(12) . . ?
C46 C47 C48 117.4(12) . . ?
C47 C46 C45 123.0(12) . . ?
C35A C32A C34A 94(2) . . ?
C35A C32A C33A 110(3) . . ?
C34A C32A C33A 108.6(19) . . ?
C35A C32A N5 124(2) . . ?
C34A C32A N5 121.6(18) . . ?
C33A C32A N5 98.1(16) . . ?
C43A C48A C47A 122(2) . . ?
C44A C43A C48A 117(2) . . ?
C46A C45A C44A 120(2) . . ?
C48A C47A C46A 119(2) . . ?
C45A C46A C47A 119(2) . . ?
C43A C44A C45A 122(2) . . ?
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 C40 1.774(7) . ?
Mn1 C42 1.778(7) . ?
Mn1 C41 1.803(7) . ?
Mn1 Si1 2.2246(17) . ?
Mn1 Si2 2.3634(18) . ?
Si1 N2 1.781(5) . ?
Si1 N7 1.866(5) . ?
Si1 N6 1.870(5) . ?
Si1 C6 2.321(6) . ?
Si2 N3 1.823(6) . ?
Si2 N4 1.865(5) . ?
Si2 N5 2.019(5) . ?
Si2 N1 2.044(5) . ?
Si2 C13 2.381(6) . ?
N2 C5 1.375(8) . ?
N2 C38 1.484(7) . ?
N1 C1 1.344(8) . ?
N1 C5 1.350(7) . ?
O3 C42 1.169(8) . ?
N7 C6 1.314(8) . ?
N7 C20 1.486(8) . ?
N6 C6 1.360(8) . ?
N6 C24 1.492(8) . ?
N4 C13 1.367(7) . ?
N4 C28 1.492(7) . ?
N5 C13 1.302(9) . ?
N5 C32 1.509(14) . ?
N5 C32A 1.55(2) . ?
N3 C1 1.357(8) . ?
N3 C36 1.459(9) . ?
O2 C41 1.161(9) . ?
C40 O1 1.167(8) . ?
C12 C11 1.379(10) . ?
C12 C7 1.402(9) . ?
C20 C21 1.519(10) . ?
C20 C23 1.520(9) . ?
C20 C22 1.537(10) . ?
C8 C7 1.380(9) . ?
C8 C9 1.389(10) . ?
C5 C4 1.402(8) . ?
C6 C7 1.479(9) . ?
C1 C2 1.398(9) . ?
C38 C39 1.522(9) . ?
C28 C30 1.523(10) . ?
C28 C31 1.530(10) . ?
C28 C29 1.533(8) . ?
C2 C3 1.392(10) . ?
C4 C3 1.381(10) . ?
C10 C11 1.372(12) . ?
C10 C9 1.388(12) . ?
C13 C14 1.481(10) . ?
C36 C37 1.523(12) . ?
C35A C32A 1.32(4) . ?
C14 C19 1.388(10) . ?
C14 C15 1.397(14) . ?
C26 C24 1.514(9) . ?
C33 C32 1.545(18) . ?
C32 C34 1.529(17) . ?
C32 C35 1.58(2) . ?
C18 C17 1.341(18) . ?
C18 C19 1.426(14) . ?
C17 C16 1.378(17) . ?
C24 C25 1.518(10) . ?
C24 C27 1.536(9) . ?
C15 C16 1.383(14) . ?
C43 C44 1.363(10) . ?
C43 C48 1.365(10) . ?
C44 C45 1.354(10) . ?
C48 C47 1.362(10) . ?
C45 C46 1.363(10) . ?
C47 C46 1.362(10) . ?
C34A C32A 1.48(3) . ?
C33A C32A 1.49(3) . ?
C48A C43A 1.384(17) . ?
C48A C47A 1.386(17) . ?
C43A C44A 1.384(17) . ?
C45A C46A 1.385(17) . ?
C45A C44A 1.387(17) . ?
C47A C46A 1.388(17) . ?
