#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:18:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179446 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/43/4334323.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_4334323
loop_
_publ_author_name
'Jamie Hicks'
'Cameron Jones'
_publ_section_title
;
 Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes:
 Potential Precursors to Low Coordinate Metal-Metal Bonded Systems
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3900
_journal_page_last               3907
_journal_paper_doi               10.1021/ic302672a
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C130 H144 Br2 Mn2 N2 O4 Si2'
_chemical_formula_weight         2124.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.914(4)
_cell_angle_beta                 95.548(4)
_cell_angle_gamma                103.950(4)
_cell_formula_units_Z            1
_cell_length_a                   14.1515(6)
_cell_length_b                   14.3059(6)
_cell_length_c                   14.5230(6)
_cell_measurement_temperature    123(2)
_cell_volume                     2732.2(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Oxford Gemini Ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) x-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0584
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17958
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    1.040
_exptl_absorpt_correction_T_max  0.868
_exptl_absorpt_correction_T_min  0.830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALE3 ABSPACK'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_description       block
_exptl_crystal_F_000             1118
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.848
_refine_diff_density_min         -0.658
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     643
_refine_ls_number_reflns         10654
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0663P)²+0.8563P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1178
_refine_ls_wR_factor_ref         0.1280
_reflns_number_gt                8242
_reflns_number_total             10654
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302672a_si_002_04.cif
_cod_data_source_block           compound4
_cod_database_code               4334323
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Br1 Br 0.87296(2) 0.92169(2) 0.471364(19) 0.02496(10) Uani 1 1 d .
Mn1 Mn 1.04061(3) 0.89886(3) 0.42110(3) 0.01921(12) Uani 1 1 d .
Si1 Si 1.01961(5) 0.88376(6) 0.18654(5) 0.01414(16) Uani 1 1 d .
O1 O 1.07204(17) 0.81450(16) 0.51660(13) 0.0292(5) Uani 1 1 d .
O2 O 1.4242(2) 0.8227(2) 0.7612(2) 0.0630(8) Uani 1 1 d .
N1 N 1.04273(16) 0.83564(16) 0.28104(14) 0.0144(5) Uani 1 1 d .
C1 C 1.06314(19) 0.74069(19) 0.27022(17) 0.0134(5) Uani 1 1 d .
C2 C 0.98765(19) 0.6512(2) 0.25817(17) 0.0155(6) Uani 1 1 d .
C3 C 1.0126(2) 0.5621(2) 0.25696(18) 0.0179(6) Uani 1 1 d .
H3 H 0.9611 0.5031 0.2503 0.021 Uiso 1 1 calc R
C4 C 1.1090(2) 0.5566(2) 0.26512(19) 0.0186(6) Uani 1 1 d .
C5 C 1.1824(2) 0.6437(2) 0.27343(18) 0.0183(6) Uani 1 1 d .
H5 H 1.2490 0.6410 0.2769 0.022 Uiso 1 1 calc R
C6 C 1.16254(19) 0.7347(2) 0.27689(17) 0.0148(5) Uani 1 1 d .
C7 C 1.1338(2) 0.4593(2) 0.2641(2) 0.0261(7) Uani 1 1 d .
H7A H 1.1536 0.4328 0.2025 0.039 Uiso 1 1 calc R
H7B H 1.0758 0.4107 0.2728 0.039 Uiso 1 1 calc R
H7C H 1.1882 0.4713 0.3165 0.039 Uiso 1 1 calc R
C8 C 0.8774(2) 0.6472(2) 0.24543(19) 0.0182(6) Uani 1 1 d .
H8 H 0.8725 0.7173 0.2684 0.022 Uiso 1 1 calc R
C9 C 0.8233(2) 0.5863(2) 0.3081(2) 0.0202(6) Uani 1 1 d .
C10 C 0.8189(2) 0.6338(3) 0.4026(2) 0.0313(7) Uani 1 1 d .
H10 H 0.8435 0.7045 0.4259 0.038 Uiso 1 1 calc R
C11 C 0.7788(3) 0.5784(3) 0.4633(2) 0.0409(9) Uani 1 1 d .
H11 H 0.7780 0.6117 0.5282 0.049 Uiso 1 1 calc R
C12 C 0.7403(3) 0.4760(3) 0.4303(2) 0.0392(8) Uani 1 1 d .
H12 H 0.7147 0.4384 0.4725 0.047 Uiso 1 1 calc R
C13 C 0.7394(2) 0.4280(3) 0.3346(2) 0.0317(7) Uani 1 1 d .
H13 H 0.7106 0.3579 0.3104 0.038 Uiso 1 1 calc R
C14 C 0.7805(2) 0.4830(2) 0.2746(2) 0.0248(6) Uani 1 1 d .
H14 H 0.7797 0.4497 0.2094 0.030 Uiso 1 1 calc R
C15 C 0.8253(2) 0.6052(2) 0.1407(2) 0.0208(6) Uani 1 1 d .
C16 C 0.7330(2) 0.6202(2) 0.1174(2) 0.0302(7) Uani 1 1 d .
H16 H 0.7060 0.6588 0.1652 0.036 Uiso 1 1 calc R
C17 C 0.6806(3) 0.5789(3) 0.0243(3) 0.0397(9) Uani 1 1 d .
H17 H 0.6185 0.5906 0.0086 0.048 Uiso 1 1 calc R
C18 C 0.7183(3) 0.5208(3) -0.0456(2) 0.0405(9) Uani 1 1 d .
H18 H 0.6817 0.4918 -0.1087 0.049 Uiso 1 1 calc R
C19 C 0.8086(3) 0.5055(3) -0.0232(2) 0.0339(8) Uani 1 1 d .
H19 H 0.8348 0.4659 -0.0710 0.041 Uiso 1 1 calc R
C20 C 0.8621(2) 0.5478(2) 0.0693(2) 0.0253(7) Uani 1 1 d .
H20 H 0.9249 0.5371 0.0838 0.030 Uiso 1 1 calc R
C21 C 1.2498(2) 0.8269(2) 0.28927(19) 0.0183(6) Uani 1 1 d .
H21 H 1.2246 0.8744 0.2599 0.022 Uiso 1 1 calc R
C22 C 1.3304(2) 0.7983(2) 0.2337(2) 0.0191(6) Uani 1 1 d .
C23 C 1.4190(2) 0.7918(2) 0.2783(2) 0.0281(7) Uani 1 1 d .
H23 H 1.4335 0.8097 0.3465 0.034 Uiso 1 1 calc R
C24 C 1.4865(2) 0.7596(3) 0.2245(2) 0.0357(8) Uani 1 1 d .
H24 H 1.5466 0.7553 0.2562 0.043 Uiso 1 1 calc R
C25 C 1.4672(2) 0.7338(2) 0.1253(2) 0.0322(8) Uani 1 1 d .
H25 H 1.5133 0.7111 0.0885 0.039 Uiso 1 1 calc R
C26 C 1.3801(2) 0.7415(2) 0.0804(2) 0.0313(7) Uani 1 1 d .
H26 H 1.3668 0.7252 0.0122 0.038 Uiso 1 1 calc R
C27 C 1.3122(2) 0.7726(2) 0.1335(2) 0.0250(7) Uani 1 1 d .
H27 H 1.2522 0.7765 0.1014 0.030 Uiso 1 1 calc R
C28 C 1.2931(2) 0.8825(2) 0.3944(2) 0.0224(6) Uani 1 1 d .
C29 C 1.3374(2) 0.9850(2) 0.4197(2) 0.0315(8) Uani 1 1 d .
H29 H 1.3370 1.0203 0.3720 0.038 Uiso 1 1 calc R
C30 C 1.3822(3) 1.0368(3) 0.5139(3) 0.0424(9) Uani 1 1 d .
H30 H 1.4108 1.1071 0.5303 0.051 Uiso 1 1 calc R
C31 C 1.3852(3) 0.9864(3) 0.5832(3) 0.0484(11) Uani 1 1 d .
H31 H 1.4160 1.0216 0.6474 0.058 Uiso 1 1 calc R
C32 C 1.3435(3) 0.8849(3) 0.5590(2) 0.0508(11) Uani 1 1 d .
H32 H 1.3459 0.8498 0.6066 0.061 Uiso 1 1 calc R
C33 C 1.2974(2) 0.8327(3) 0.4651(2) 0.0362(8) Uani 1 1 d .
H33 H 1.2688 0.7624 0.4494 0.043 Uiso 1 1 calc R
C34 C 1.0739(2) 1.0235(2) 0.22547(18) 0.0158(6) Uani 1 1 d .
C35 C 1.1599(2) 1.0676(2) 0.29199(19) 0.0206(6) Uani 1 1 d .
H35 H 1.1864 1.0275 0.3250 0.025 Uiso 1 1 calc R
C36 C 1.2086(2) 1.1691(2) 0.3119(2) 0.0283(7) Uani 1 1 d .
H36 H 1.2675 1.1972 0.3578 0.034 Uiso 1 1 calc R
C37 C 1.1708(2) 1.2291(2) 0.2645(2) 0.0282(7) Uani 1 1 d .
H37 H 1.2040 1.2981 0.2769 0.034 Uiso 1 1 calc R
C38 C 1.0845(2) 1.1871(2) 0.1992(2) 0.0260(7) Uani 1 1 d .
H38 H 1.0575 1.2279 0.1674 0.031 Uiso 1 1 calc R
C39 C 1.0365(2) 1.0860(2) 0.17952(19) 0.0216(6) Uani 1 1 d .
H39 H 0.9773 1.0585 0.1341 0.026 Uiso 1 1 calc R
C40 C 0.8859(2) 0.8645(2) 0.13735(19) 0.0174(6) Uani 1 1 d .
C41 C 0.8513(2) 0.8386(2) 0.0388(2) 0.0228(6) Uani 1 1 d .
H41 H 0.8939 0.8216 -0.0052 0.027 Uiso 1 1 calc R
C42 C 0.7557(2) 0.8371(3) 0.0035(2) 0.0298(7) Uani 1 1 d .
H42 H 0.7338 0.8193 -0.0639 0.036 Uiso 1 1 calc R
C43 C 0.6929(2) 0.8616(2) 0.0666(2) 0.0305(7) Uani 1 1 d .
H43 H 0.6279 0.8613 0.0427 0.037 Uiso 1 1 calc R
C44 C 0.7246(2) 0.8863(2) 0.1640(2) 0.0285(7) Uani 1 1 d .
H44 H 0.6811 0.9024 0.2074 0.034 Uiso 1 1 calc R
C45 C 0.8199(2) 0.8878(2) 0.1994(2) 0.0224(6) Uani 1 1 d .
H45 H 0.8408 0.9050 0.2669 0.027 Uiso 1 1 calc R
C46 C 1.0791(2) 0.8379(2) 0.07942(18) 0.0162(6) Uani 1 1 d .
C47 C 1.1454(2) 0.9045(2) 0.0446(2) 0.0218(6) Uani 1 1 d .
H47 H 1.1631 0.9740 0.0767 0.026 Uiso 1 1 calc R
C48 C 1.1866(2) 0.8714(3) -0.0366(2) 0.0285(7) Uani 1 1 d .
H48 H 1.2313 0.9183 -0.0595 0.034 Uiso 1 1 calc R
C49 C 1.1624(2) 0.7708(2) -0.0837(2) 0.0274(7) Uani 1 1 d .
H49 H 1.1914 0.7481 -0.1381 0.033 Uiso 1 1 calc R
C50 C 1.0958(2) 0.7032(2) -0.0516(2) 0.0273(7) Uani 1 1 d .
H50 H 1.0782 0.6340 -0.0846 0.033 Uiso 1 1 calc R
C51 C 1.0544(2) 0.7363(2) 0.02913(19) 0.0229(6) Uani 1 1 d .
H51 H 1.0085 0.6890 0.0505 0.027 Uiso 1 1 calc R
C52 C 1.0631(3) 0.7081(2) 0.5010(2) 0.0302(7) Uani 1 1 d .
H52A H 1.1229 0.6917 0.4795 0.036 Uiso 1 1 calc R
H52B H 1.0049 0.6674 0.4519 0.036 Uiso 1 1 calc R
C53 C 1.0513(3) 0.6893(3) 0.5972(2) 0.0446(10) Uani 1 1 d .
H53A H 1.0739 0.6305 0.6039 0.053 Uiso 1 1 calc R
H53B H 0.9819 0.6788 0.6077 0.053 Uiso 1 1 calc R
C54 C 1.1172(3) 0.7851(3) 0.6659(2) 0.0416(9) Uani 1 1 d .
H54A H 1.0982 0.7952 0.7307 0.050 Uiso 1 1 calc R
H54B H 1.1873 0.7845 0.6711 0.050 Uiso 1 1 calc R
C55 C 1.0996(3) 0.8649(3) 0.6205(2) 0.0464(10) Uani 1 1 d .
H55A H 1.0457 0.8911 0.6455 0.056 Uiso 1 1 calc R
H55B H 1.1601 0.9212 0.6334 0.056 Uiso 1 1 calc R
C56 C 1.5267(4) 0.8460(4) 0.7477(4) 0.0824(17) Uani 1 1 d D
H56A H 1.5324 0.8612 0.6851 0.099 Uiso 1 1 calc R
H56B H 1.5535 0.7883 0.7486 0.099 Uiso 1 1 calc R
C57 C 1.5812(4) 0.9333(4) 0.8268(4) 0.0871(17) Uani 1 1 d D
H57A H 1.6128 0.9125 0.8795 0.104 Uiso 1 1 calc R
H57B H 1.6327 0.9787 0.8043 0.104 Uiso 1 1 calc R
C58 C 1.5057(3) 0.9816(4) 0.8584(4) 0.0732(14) Uani 1 1 d D
H58A H 1.4985 1.0307 0.8223 0.088 Uiso 1 1 calc R
H58B H 1.5227 1.0166 0.9279 0.088 Uiso 1 1 calc R
C59 C 1.4131(3) 0.8986(3) 0.8381(3) 0.0580(12) Uani 1 1 d D
H59A H 1.4037 0.8735 0.8954 0.070 Uiso 1 1 calc R
H59B H 1.3552 0.9219 0.8202 0.070 Uiso 1 1 calc R
C60 C 0.5273(5) 0.3811(5) 0.1397(4) 0.0959(19) Uani 1 1 d D
H60A H 0.5592 0.3428 0.1741 0.144 Uiso 1 1 calc R
H60B H 0.5684 0.4029 0.0941 0.144 Uiso 1 1 calc R
H60C H 0.4625 0.3388 0.1047 0.144 Uiso 1 1 calc R
C61 C 0.5143(4) 0.4741(4) 0.2129(4) 0.0841(16) Uani 1 1 d D
H61A H 0.5791 0.5147 0.2515 0.101 Uiso 1 1 calc R
H61B H 0.4876 0.5162 0.1780 0.101 Uiso 1 1 calc R
C62 C 0.4449(5) 0.4409(5) 0.2780(4) 0.0867(16) Uani 1 1 d .
H62A H 0.4716 0.3978 0.3114 0.104 Uiso 1 1 calc R
H62B H 0.3804 0.4002 0.2386 0.104 Uiso 1 1 calc R
C63 C 0.4288(4) 0.5296(4) 0.3536(4) 0.0808(16) Uani 1 1 d .
H63A H 0.3965 0.5690 0.3199 0.097 Uiso 1 1 calc R
H63B H 0.3834 0.5028 0.3946 0.097 Uiso 1 1 calc R
C64 C 0.5218(5) 0.5979(5) 0.4167(4) 0.0968(19) Uani 1 1 d .
H64A H 0.5639 0.6322 0.3775 0.116 Uiso 1 1 calc R
H64B H 0.5586 0.5580 0.4448 0.116 Uiso 1 1 calc R
C65 C 0.4998(5) 0.6764(5) 0.4979(5) 0.106(2) Uani 1 1 d .
H65A H 0.4467 0.7011 0.4727 0.159 Uiso 1 1 calc R
H65B H 0.5593 0.7322 0.5240 0.159 Uiso 1 1 calc R
H65C H 0.4792 0.6459 0.5490 0.159 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 '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'
Br Br -0.2901 2.4595 '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
Mn1 Br1 Mn1 91.244(16) 2_776 .
N1 Mn1 O1 114.96(8) . .
N1 Mn1 Br1 130.16(7) . 2_776
O1 Mn1 Br1 99.84(6) . 2_776
N1 Mn1 Br1 118.39(6) . .
O1 Mn1 Br1 97.97(6) . .
Br1 Mn1 Br1 88.756(16) 2_776 .
N1 Si1 C34 109.28(11) . .
N1 Si1 C40 116.75(12) . .
C34 Si1 C40 104.80(12) . .
N1 Si1 C46 113.99(11) . .
C34 Si1 C46 105.00(12) . .
C40 Si1 C46 106.03(12) . .
C52 O1 C55 109.2(2) . .
C52 O1 Mn1 131.72(17) . .
C55 O1 Mn1 118.79(18) . .
C59 O2 C56 108.6(3) . .
C1 N1 Si1 123.59(16) . .
C1 N1 Mn1 109.95(15) . .
Si1 N1 Mn1 126.43(12) . .
C2 C1 C6 117.7(2) . .
C2 C1 N1 122.2(2) . .
C6 C1 N1 120.1(2) . .
C3 C2 C1 119.8(2) . .
C3 C2 C8 117.7(2) . .
C1 C2 C8 122.5(2) . .
C4 C3 C2 122.6(3) . .
C3 C4 C5 117.3(2) . .
C3 C4 C7 121.4(3) . .
C5 C4 C7 121.2(3) . .
C6 C5 C4 122.8(3) . .
C5 C6 C1 119.8(2) . .
C5 C6 C21 118.3(2) . .
C1 C6 C21 121.9(2) . .
C15 C8 C2 113.5(2) . .
C15 C8 C9 109.7(2) . .
C2 C8 C9 110.7(2) . .
C10 C9 C14 117.9(3) . .
C10 C9 C8 119.8(3) . .
C14 C9 C8 122.3(2) . .
C9 C10 C11 120.6(3) . .
C12 C11 C10 120.7(3) . .
C11 C12 C13 119.4(3) . .
C14 C13 C12 119.8(3) . .
C13 C14 C9 121.5(3) . .
C20 C15 C16 118.3(3) . .
C20 C15 C8 123.4(3) . .
C16 C15 C8 118.2(3) . .
C17 C16 C15 120.2(3) . .
C18 C17 C16 120.5(3) . .
C19 C18 C17 119.6(3) . .
C18 C19 C20 120.2(3) . .
C15 C20 C19 121.1(3) . .
C28 C21 C6 113.5(2) . .
C28 C21 C22 110.8(2) . .
C6 C21 C22 110.7(2) . .
C23 C22 C27 118.0(3) . .
C23 C22 C21 123.1(2) . .
C27 C22 C21 118.8(2) . .
C24 C23 C22 120.8(3) . .
C25 C24 C23 120.5(3) . .
C26 C25 C24 119.1(3) . .
C25 C26 C27 120.6(3) . .
C26 C27 C22 120.9(3) . .
C33 C28 C29 118.0(3) . .
C33 C28 C21 122.1(3) . .
C29 C28 C21 119.6(3) . .
C28 C29 C30 120.9(3) . .
C31 C30 C29 120.2(4) . .
C32 C31 C30 119.5(3) . .
C31 C32 C33 120.7(4) . .
C28 C33 C32 120.6(4) . .
C35 C34 C39 117.0(3) . .
C35 C34 Si1 121.2(2) . .
C39 C34 Si1 121.3(2) . .
C34 C35 C36 122.1(3) . .
C37 C36 C35 119.8(3) . .
C38 C37 C36 119.1(3) . .
C37 C38 C39 120.7(3) . .
C38 C39 C34 121.3(3) . .
C41 C40 C45 117.1(3) . .
C41 C40 Si1 122.0(2) . .
C45 C40 Si1 120.4(2) . .
C42 C41 C40 121.6(3) . .
C43 C42 C41 119.8(3) . .
C44 C43 C42 119.9(3) . .
C43 C44 C45 120.3(3) . .
C44 C45 C40 121.2(3) . .
C47 C46 C51 117.3(2) . .
C47 C46 Si1 121.2(2) . .
C51 C46 Si1 121.4(2) . .
C46 C47 C48 121.4(3) . .
C49 C48 C47 120.1(3) . .
C48 C49 C50 119.8(3) . .
C49 C50 C51 120.1(3) . .
C50 C51 C46 121.2(3) . .
O1 C52 C53 104.7(3) . .
C52 C53 C54 102.2(3) . .
C55 C54 C53 103.4(3) . .
O1 C55 C54 104.9(3) . .
O2 C56 C57 107.3(4) . .
C58 C57 C56 103.9(4) . .
C57 C58 C59 105.1(4) . .
O2 C59 C58 106.0(3) . .
C62 C61 C60 109.6(5) . .
C61 C62 C63 112.7(5) . .
C64 C63 C62 114.1(5) . .
C63 C64 C65 111.5(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Br1 Mn1 2.5912(5) 2_776
Br1 Mn1 2.6196(5) .
Mn1 N1 2.024(2) .
Mn1 O1 2.127(2) .
Mn1 Br1 2.5912(5) 2_776
Si1 N1 1.715(2) .
Si1 C34 1.881(3) .
Si1 C40 1.887(3) .
Si1 C46 1.894(3) .
O1 C52 1.456(4) .
O1 C55 1.475(4) .
O2 C59 1.409(5) .
O2 C56 1.451(6) .
N1 C1 1.431(3) .
C1 C2 1.417(4) .
C1 C6 1.425(4) .
C2 C3 1.399(4) .
C2 C8 1.539(4) .
C3 C4 1.382(4) .
C4 C5 1.388(4) .
C4 C7 1.513(4) .
C5 C6 1.386(4) .
C6 C21 1.535(4) .
C8 C15 1.533(4) .
C8 C9 1.539(4) .
C9 C10 1.392(4) .
C9 C14 1.398(4) .
C10 C11 1.394(5) .
C11 C12 1.379(5) .
C12 C13 1.391(5) .
C13 C14 1.386(4) .
C15 C20 1.386(4) .
C15 C16 1.397(4) .
C16 C17 1.392(5) .
C17 C18 1.385(5) .
C18 C19 1.370(5) .
C19 C20 1.392(4) .
C21 C28 1.529(4) .
C21 C22 1.538(4) .
C22 C23 1.387(4) .
C22 C27 1.394(4) .
C23 C24 1.385(4) .
C24 C25 1.380(5) .
C25 C26 1.378(5) .
C26 C27 1.378(4) .
C28 C33 1.388(4) .
C28 C29 1.390(4) .
C29 C30 1.394(5) .
C30 C31 1.374(6) .
C31 C32 1.372(6) .
C32 C33 1.395(5) .
C34 C35 1.386(4) .
C34 C39 1.404(4) .
C35 C36 1.394(4) .
C36 C37 1.390(4) .
C37 C38 1.379(4) .
C38 C39 1.388(4) .
C40 C41 1.395(4) .
C40 C45 1.401(4) .
C41 C42 1.393(4) .
C42 C43 1.380(4) .
C43 C44 1.374(4) .
C44 C45 1.389(4) .
C46 C47 1.392(4) .
C46 C51 1.402(4) .
C47 C48 1.397(4) .
C48 C49 1.378(4) .
C49 C50 1.379(5) .
C50 C51 1.394(4) .
C52 C53 1.503(4) .
C53 C54 1.513(6) .
C54 C55 1.507(5) .
C56 C57 1.466(6) .
C57 C58 1.460(5) .
C58 C59 1.490(5) .
C60 C61 1.552(5) .
C61 C62 1.502(7) .
C62 C63 1.544(7) .
C63 C64 1.497(8) .
C64 C65 1.533(8) .
