#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:35:41 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180269 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/55/7115507.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_7115507
loop_
_publ_author_name
'Wen Zhou'
'Brian O. Patrick'
'Kevin M. Smith'
_publ_section_title
;
 Influence of redox non-innocent phenylenediamido ligands on chromium
 imido hydrogen-atom abstraction reactivity
;
_journal_name_full               Chem.Commun.
_journal_page_first              9958
_journal_paper_doi               10.1039/C4cc04545A
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C21 H35 Cr N2 O Si2'
_chemical_formula_weight         439.69
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.861(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.073(2)
_cell_length_b                   15.574(3)
_cell_length_c                   12.961(2)
_cell_measurement_reflns_used    3143
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.447
_cell_measurement_theta_min      2.2375
_cell_volume                     2311.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker X8 APEX II'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0527
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            11469
_diffrn_reflns_theta_full        28.73
_diffrn_reflns_theta_max         28.73
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.612
_exptl_absorpt_correction_T_max  0.869
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.495
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     165
_refine_ls_number_reflns         3025
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0485P)²+2.2148P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0977
_refine_ls_wR_factor_ref         0.1127
_reflns_number_gt                2104
_reflns_number_total             3025
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c4cc04545a2.cif
_cod_data_source_block           1a_Si_THF_ks160
_cod_original_cell_volume        2310.9(7)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7115507
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.32644(18) 0.95457(15) 0.22433(19) 0.0247(5) Uani 1 1 d . . .
C2 C 0.39147(19) 0.91093(17) 0.18097(19) 0.0289(5) Uani 1 1 d . . .
H2 H 0.3927 0.8499 0.1816 0.035 Uiso 1 1 calc R . .
C3 C 0.4545(2) 0.95580(16) 0.1368(2) 0.0334(6) Uani 1 1 d . . .
H3 H 0.4974 0.9253 0.1068 0.040 Uiso 1 1 calc R . .
C4 C 0.3507(3) 0.73837(19) 0.3525(3) 0.0493(8) Uani 1 1 d . . .
H4A H 0.3803 0.7572 0.4342 0.074 Uiso 1 1 calc R . .
H4B H 0.4129 0.7431 0.3312 0.074 Uiso 1 1 calc R . .
H4C H 0.3248 0.6785 0.3446 0.074 Uiso 1 1 calc R . .
C5 C 0.1711(3) 0.7697(2) 0.0981(3) 0.0498(8) Uani 1 1 d . . .
H5A H 0.1095 0.8083 0.0434 0.075 Uiso 1 1 calc R . .
H5B H 0.1398 0.7114 0.0897 0.075 Uiso 1 1 calc R . .
H5C H 0.2359 0.7696 0.0802 0.075 Uiso 1 1 calc R . .
C6 C 0.1033(2) 0.78755(16) 0.2867(2) 0.0366(6) Uani 1 1 d . . .
H6A H 0.1272 0.8063 0.3673 0.055 Uiso 1 1 calc R . .
H6B H 0.0852 0.7261 0.2792 0.055 Uiso 1 1 calc R . .
H6C H 0.0339 0.8197 0.2314 0.055 Uiso 1 1 calc R . .
C7 C -0.0442(3) 1.0000 0.2914(3) 0.0399(9) Uani 1 2 d S . .
H7A H -0.0504 1.0570 0.3218 0.048 Uiso 0.50 1 calc PR A .
H7B H -0.0281 0.9562 0.3527 0.048 Uiso 0.50 1 calc PR . .
C10 C -0.0070(3) 1.0000 0.1285(3) 0.0325(8) Uani 1 2 d S . .
H10A H -0.0019 0.9425 0.0988 0.039 Uiso 0.50 1 calc PR A .
H10B H 0.0312 1.0424 0.1013 0.039 Uiso 0.50 1 calc PR . .
C11 C 0.2056(6) 1.0459(2) 0.5227(5) 0.0317(16) Uani 0.536(11) 1 d PDU . 1
H11 H 0.1438 1.0816 0.5159 0.038 Uiso 0.536(11) 1 calc PR . 1
C12 C 0.3131(8) 1.0743(5) 0.5346(12) 0.047(3) Uani 0.536(11) 1 d PDU . 1
H12 H 0.3366 1.1321 0.5352 0.057 Uiso 0.536(11) 1 calc PR . 1
C13 C 0.3786(9) 1.0000 0.5453(8) 0.052(3) Uani 0.536(11) 2 d SPDU . 1
H13 H 0.4565 1.0000 0.5581 0.063 Uiso 0.536(11) 2 calc SPR . 1
N1 N 0.25832(15) 0.91565(12) 0.26843(16) 0.0247(4) Uani 1 1 d . . .
O1 O 0.04695(18) 1.0000 0.25698(18) 0.0250(5) Uani 1 2 d S . .
Si1 Si 0.22477(6) 0.80773(4) 0.25244(6) 0.02967(18) Uani 1 1 d . . .
Cr01 Cr 0.22919(4) 1.0000 0.36478(4) 0.02431(15) Uani 1 2 d S . .
C11B C 0.3858(6) 1.0446(4) 0.5352(5) 0.0270(18) Uani 0.464(11) 1 d PU . 2
H11B H 0.4441 1.0805 0.5345 0.032 Uiso 0.464(11) 1 calc PR . 2
C12B C 0.2836(9) 1.0725(6) 0.5365(14) 0.043(3) Uani 0.464(11) 1 d PDU . 2
H12B H 0.2618 1.1304 0.5387 0.051 Uiso 0.464(11) 1 calc PR . 2
C13B C 0.2206(11) 1.0000 0.5341(10) 0.054(3) Uani 0.464(11) 2 d SPDU . 2
H13B H 0.1466 1.0000 0.5312 0.065 Uiso 0.464(11) 2 calc SPR . 2
C9 C -0.1338(4) 1.0246(3) 0.0872(5) 0.0439(17) Uani 0.50 1 d P A -1
H9A H -0.1429 1.0875 0.0903 0.053 Uiso 0.50 1 calc PR A -1
H9B H -0.1860 1.0038 0.0063 0.053 Uiso 0.50 1 calc PR A -1
C8 C -0.1566(4) 0.9783(4) 0.1770(5) 0.049(2) Uani 0.50 1 d P A -1
H8A H -0.1654 0.9157 0.1623 0.058 Uiso 0.50 1 calc PR A -1
H8B H -0.2269 1.0010 0.1780 0.058 Uiso 1 2 calc SR A -1
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'
Cr Cr 0.3209 0.6236 '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
C2 C1 N1 125.4(2) . .
C2 C1 C1 119.03(14) . 6_575
N1 C1 C1 115.53(12) . 6_575
C3 C2 C1 120.9(2) . .
C3 C2 H2 119.5 . .
C1 C2 H2 119.5 . .
C3 C3 C2 120.04(14) 6_575 .
C3 C3 H3 120.0 6_575 .
C2 C3 H3 120.0 . .
Si1 C4 H4A 109.5 . .
Si1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
Si1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Si1 C5 H5A 109.5 . .
Si1 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Si1 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Si1 C6 H6A 109.5 . .
Si1 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
Si1 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O1 C7 C8 104.3(3) . .
O1 C7 C8 104.3(3) . 6_575
C8 C7 C8 25.3(5) . 6_575
O1 C7 H7A 110.9 . .
C8 C7 H7A 110.9 . .
C8 C7 H7A 87.9 6_575 .
O1 C7 H7B 110.9 . .
C8 C7 H7B 110.9 . .
C8 C7 H7B 131.2 6_575 .
H7A C7 H7B 108.9 . .
O1 C10 C9 104.2(3) . 6_575
O1 C10 C9 104.2(3) . .
C9 C10 C9 29.1(4) 6_575 .
O1 C10 H10A 110.9 . .
C9 C10 H10A 84.4 6_575 .
C9 C10 H10A 110.9 . .
O1 C10 H10B 110.9 . .
C9 C10 H10B 133.8 6_575 .
C9 C10 H10B 110.9 . .
H10A C10 H10B 108.9 . .
C12 C11 C11 108.3(4) . 6_575
C12 C11 Cr01 69.1(6) . .
C11 C11 Cr01 72.08(9) 6_575 .
C12 C11 H11 125.8 . .
C11 C11 H11 125.8 6_575 .
Cr01 C11 H11 124.5 . .
C13 C12 C11 106.3(8) . .
C13 C12 Cr01 70.1(6) . .
C11 C12 Cr01 75.0(5) . .
C13 C12 H12 126.9 . .
C11 C12 H12 126.9 . .
Cr01 C12 H12 120.0 . .
C12 C13 C12 110.8(10) 6_575 .
C12 C13 Cr01 73.2(6) 6_575 .
C12 C13 Cr01 73.2(6) . .
C12 C13 H13 124.6 6_575 .
C12 C13 H13 124.6 . .
Cr01 C13 H13 120.7 . .
C1 N1 Si1 123.05(15) . .
C1 N1 Cr01 108.90(14) . .
Si1 N1 Cr01 127.58(10) . .
C7 O1 C10 109.4(2) . .
C7 O1 Cr01 128.9(2) . .
C10 O1 Cr01 121.77(18) . .
N1 Si1 C5 112.32(12) . .
N1 Si1 C4 113.08(13) . .
C5 Si1 C4 108.04(14) . .
N1 Si1 C6 109.34(10) . .
C5 Si1 C6 106.13(13) . .
C4 Si1 C6 107.60(12) . .
N1 Cr01 N1 83.53(11) . 6_575
N1 Cr01 O1 94.73(7) . .
N1 Cr01 O1 94.73(7) 6_575 .
N1 Cr01 C13 109.2(2) . .
N1 Cr01 C13 109.2(2) 6_575 .
O1 Cr01 C13 147.5(3) . .
N1 Cr01 C12 144.2(2) . .
N1 Cr01 C12 97.2(3) 6_575 .
O1 Cr01 C12 120.8(2) . .
C13 Cr01 C12 36.8(2) . .
N1 Cr01 C12 97.2(3) . 6_575
N1 Cr01 C12 144.2(2) 6_575 6_575
O1 Cr01 C12 120.8(2) . 6_575
C13 Cr01 C12 36.8(2) . 6_575
C12 Cr01 C12 62.0(5) . 6_575
N1 Cr01 C13B 137.15(8) . .
N1 Cr01 C13B 137.15(9) 6_575 .
O1 Cr01 C13B 94.3(3) . .
C13 Cr01 C13B 53.3(4) . .
C12 Cr01 C13B 43.6(4) . .
C12 Cr01 C13B 43.6(4) 6_575 .
N1 Cr01 C11B 117.36(18) . .
N1 Cr01 C11B 93.04(18) 6_575 .
O1 Cr01 C11B 147.64(19) . .
C13 Cr01 C11B 18.43(16) . .
C12 Cr01 C11B 26.9(3) . .
C12 Cr01 C11B 54.7(3) 6_575 .
C13B Cr01 C11B 59.9(3) . .
N1 Cr01 C11B 93.04(18) . 6_575
N1 Cr01 C11B 117.36(18) 6_575 6_575
O1 Cr01 C11B 147.64(19) . 6_575
C13 Cr01 C11B 18.43(16) . 6_575
C12 Cr01 C11B 54.7(3) . 6_575
C12 Cr01 C11B 26.9(3) 6_575 6_575
C13B Cr01 C11B 59.9(3) . 6_575
C11B Cr01 C11B 35.5(3) . 6_575
N1 Cr01 C12B 152.0(3) . .
N1 Cr01 C12B 102.9(3) 6_575 .
O1 Cr01 C12B 111.6(3) . .
C13 Cr01 C12B 42.8(4) . .
C12 Cr01 C12B 10.1(4) . .
C12 Cr01 C12B 61.6(2) 6_575 .
C13B Cr01 C12B 35.7(2) . .
C11B Cr01 C12B 36.1(3) . .
C11B Cr01 C12B 59.6(3) 6_575 .
N1 Cr01 C12B 102.9(3) . 6_575
N1 Cr01 C12B 152.0(3) 6_575 6_575
O1 Cr01 C12B 111.6(3) . 6_575
C13 Cr01 C12B 42.8(4) . 6_575
C12 Cr01 C12B 61.6(2) . 6_575
C12 Cr01 C12B 10.1(4) 6_575 6_575
C13B Cr01 C12B 35.7(2) . 6_575
C11B Cr01 C12B 59.6(3) . 6_575
C11B Cr01 C12B 36.1(3) 6_575 6_575
C12B Cr01 C12B 59.3(5) . 6_575
N1 Cr01 C11 155.59(11) . .
N1 Cr01 C11 120.05(11) 6_575 .
O1 Cr01 C11 89.77(18) . .
C13 Cr01 C11 59.5(3) . .
C12 Cr01 C11 35.82(17) . .
C12 Cr01 C11 60.4(3) 6_575 .
C13B Cr01 C11 18.46(12) . .
C11B Cr01 C11 59.4(2) . .
C11B Cr01 C11 71.3(2) 6_575 .
C12B Cr01 C11 25.9(3) . .
C12B Cr01 C11 53.5(3) 6_575 .
C11B C11B C12B 107.9(4) 6_575 .
C11B C11B Cr01 72.24(14) 6_575 .
C12B C11B Cr01 72.1(7) . .
C11B C11B H11B 126.1 6_575 .
C12B C11B H11B 126.1 . .
Cr01 C11B H11B 121.3 . .
C13B C12B C11B 107.7(8) . .
C13B C12B Cr01 70.9(8) . .
C11B C12B Cr01 71.8(6) . .
C13B C12B H12B 126.2 . .
C11B C12B H12B 126.2 . .
Cr01 C12B H12B 122.8 . .
C12B C13B C12B 108.8(11) . 6_575
C12B C13B Cr01 73.4(8) . .
C12B C13B Cr01 73.4(8) 6_575 .
C12B C13B H13B 125.6 . .
C12B C13B H13B 125.6 6_575 .
Cr01 C13B H13B 119.4 . .
C8 C9 C10 101.2(4) . .
C8 C9 H9A 111.5 . .
C10 C9 H9A 111.5 . .
C8 C9 H9B 111.5 . .
C10 C9 H9B 111.5 . .
H9A C9 H9B 109.3 . .
C9 C8 C7 100.7(4) . .
C9 C8 H8A 111.6 . .
C7 C8 H8A 111.6 . .
C9 C8 H8B 111.6 . .
C7 C8 H8B 111.6 . .
H8A C8 H8B 109.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.401(3) .
C1 N1 1.407(3) .
C1 C1 1.415(5) 6_575
C2 C3 1.396(3) .
C2 H2 0.9500 .
C3 C3 1.377(5) 6_575
C3 H3 0.9500 .
C4 Si1 1.870(3) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 Si1 1.868(3) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 Si1 1.870(2) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 O1 1.461(4) .
C7 C8 1.539(6) .
C7 C8 1.539(6) 6_575
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C10 O1 1.462(4) .
C10 C9 1.524(6) 6_575
C10 C9 1.524(6) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.408(6) .
C11 C11 1.430(8) 6_575
C11 Cr01 2.325(5) .
C11 H11 0.9500 .
C12 C13 1.406(6) .
C12 Cr01 2.248(12) .
C12 H12 0.9500 .
C13 C12 1.406(6) 6_575
C13 Cr01 2.208(9) .
C13 H13 0.9500 .
N1 Si1 1.724(2) .
N1 Cr01 1.9721(19) .
O1 Cr01 2.101(2) .
Cr01 N1 1.9721(19) 6_575
Cr01 C12 2.248(12) 6_575
Cr01 C13B 2.250(12) .
Cr01 C11B 2.277(5) .
Cr01 C11B 2.277(5) 6_575
Cr01 C12B 2.282(15) .
Cr01 C12B 2.282(15) 6_575
C11B C11B 1.390(11) 6_575
C11B C12B 1.412(11) .
C11B H11B 0.9500 .
C12B C13B 1.388(8) .
C12B H12B 0.9500 .
C13B C12B 1.388(8) 6_575
C13B H13B 0.9500 .
C9 C8 1.516(7) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 178.7(2) . .
C1 C1 C2 C3 -0.8(3) 6_575 .
C1 C2 C3 C3 0.8(3) . 6_575
C11 C11 C12 C13 -1.8(11) 6_575 .
Cr01 C11 C12 C13 -63.5(8) . .
C11 C11 C12 Cr01 61.8(3) 6_575 .
C11 C12 C13 C12 2.9(18) . 6_575
Cr01 C12 C13 C12 -64.0(10) . 6_575
C11 C12 C13 Cr01 66.9(8) . .
C2 C1 N1 Si1 -11.5(3) . .
C1 C1 N1 Si1 168.00(9) 6_575 .
C2 C1 N1 Cr01 161.18(18) . .
C1 C1 N1 Cr01 -19.31(13) 6_575 .
C8 C7 O1 C10 13.1(2) . .
C8 C7 O1 C10 -13.1(2) 6_575 .
C8 C7 O1 Cr01 -166.9(2) . .
C8 C7 O1 Cr01 166.9(2) 6_575 .
C9 C10 O1 C7 -15.0(2) 6_575 .
C9 C10 O1 C7 15.0(2) . .
C9 C10 O1 Cr01 165.0(2) 6_575 .
C9 C10 O1 Cr01 -165.0(2) . .
C1 N1 Si1 C5 -47.7(2) . .
Cr01 N1 Si1 C5 141.03(14) . .
C1 N1 Si1 C4 74.89(19) . .
Cr01 N1 Si1 C4 -96.37(15) . .
C1 N1 Si1 C6 -165.26(17) . .
Cr01 N1 Si1 C6 23.49(17) . .
C1 N1 Cr01 N1 23.58(16) . 6_575
Si1 N1 Cr01 N1 -164.16(8) . 6_575
C1 N1 Cr01 O1 117.82(13) . .
Si1 N1 Cr01 O1 -69.92(13) . .
C1 N1 Cr01 C13 -84.5(3) . .
Si1 N1 Cr01 C13 87.8(3) . .
C1 N1 Cr01 C12 -69.7(5) . .
Si1 N1 Cr01 C12 102.5(5) . .
C1 N1 Cr01 C12 -120.3(2) . 6_575
Si1 N1 Cr01 C12 51.9(2) . 6_575
C1 N1 Cr01 C13B -140.7(5) . .
Si1 N1 Cr01 C13B 31.5(5) . .
C1 N1 Cr01 C11B -66.5(2) . .
Si1 N1 Cr01 C11B 105.8(2) . .
C1 N1 Cr01 C11B -93.6(2) . 6_575
Si1 N1 Cr01 C11B 78.6(2) . 6_575
C1 N1 Cr01 C12B -81.9(6) . .
Si1 N1 Cr01 C12B 90.4(6) . .
C1 N1 Cr01 C12B -128.7(3) . 6_575
Si1 N1 Cr01 C12B 43.5(3) . 6_575
C1 N1 Cr01 C11 -142.2(4) . .
Si1 N1 Cr01 C11 30.0(5) . .
C7 O1 Cr01 N1 138.06(6) . .
C10 O1 Cr01 N1 -41.94(6) . .
C7 O1 Cr01 N1 -138.06(6) . 6_575
C10 O1 Cr01 N1 41.94(6) . 6_575
C7 O1 Cr01 C13 0.000(2) . .
C10 O1 Cr01 C13 180.000(2) . .
C7 O1 Cr01 C12 -36.8(3) . .
C10 O1 Cr01 C12 143.2(3) . .
C7 O1 Cr01 C12 36.8(3) . 6_575
C10 O1 Cr01 C12 -143.2(3) . 6_575
C7 O1 Cr01 C13B 0.000(1) . .
C10 O1 Cr01 C13B 180.000(1) . .
C7 O1 Cr01 C11B -34.8(3) . .
C10 O1 Cr01 C11B 145.2(3) . .
C7 O1 Cr01 C11B 34.8(3) . 6_575
C10 O1 Cr01 C11B -145.2(3) . 6_575
C7 O1 Cr01 C12B -32.1(3) . .
C10 O1 Cr01 C12B 147.9(3) . .
C7 O1 Cr01 C12B 32.1(3) . 6_575
C10 O1 Cr01 C12B -147.9(3) . 6_575
C7 O1 Cr01 C11 -17.92(9) . .
C10 O1 Cr01 C11 162.08(9) . .
C12 C13 Cr01 N1 -75.9(6) 6_575 .
C12 C13 Cr01 N1 165.5(5) . .
C12 C13 Cr01 N1 -165.5(5) 6_575 6_575
C12 C13 Cr01 N1 75.9(6) . 6_575
C12 C13 Cr01 O1 59.3(5) 6_575 .
C12 C13 Cr01 O1 -59.3(5) . .
C12 C13 Cr01 C12 118.6(11) 6_575 .
C12 C13 Cr01 C12 -118.6(11) . 6_575
C12 C13 Cr01 C13B 59.3(5) 6_575 .
C12 C13 Cr01 C13B -59.3(5) . .
C12 C13 Cr01 C11B 164.5(16) 6_575 .
C12 C13 Cr01 C11B 45.9(10) . .
C12 C13 Cr01 C11B -45.9(10) 6_575 6_575
C12 C13 Cr01 C11B -164.5(16) . 6_575
C12 C13 Cr01 C12B 106.0(7) 6_575 .
C12 C13 Cr01 C12B -12.6(7) . .
C12 C13 Cr01 C12B 12.6(7) 6_575 6_575
C12 C13 Cr01 C12B -106.0(7) . 6_575
C12 C13 Cr01 C11 80.2(6) 6_575 .
C12 C13 Cr01 C11 -38.4(5) . .
C13 C12 Cr01 N1 -23.7(9) . .
C11 C12 Cr01 N1 -137.7(3) . .
C13 C12 Cr01 N1 -112.6(6) . 6_575
C11 C12 Cr01 N1 133.5(4) . 6_575
C13 C12 Cr01 O1 147.5(5) . .
C11 C12 Cr01 O1 33.6(6) . .
C11 C12 Cr01 C13 -113.9(9) . .
C13 C12 Cr01 C12 36.5(6) . 6_575
C11 C12 Cr01 C12 -77.4(4) . 6_575
C13 C12 Cr01 C13B 87.5(7) . .
C11 C12 Cr01 C13B -26.4(5) . .
C13 C12 Cr01 C11B -30.1(5) . .
C11 C12 Cr01 C11B -144.0(10) . .
C13 C12 Cr01 C11B 6.0(6) . 6_575
C11 C12 Cr01 C11B -107.9(6) . 6_575
C13 C12 Cr01 C12B 122(3) . .
C11 C12 Cr01 C12B 8(2) . .
C13 C12 Cr01 C12B 48.0(6) . 6_575
C11 C12 Cr01 C12B -65.9(5) . 6_575
C13 C12 Cr01 C11 113.9(9) . .
C12 C11 Cr01 N1 107.4(5) . .
C11 C11 Cr01 N1 -11.1(3) 6_575 .
C12 C11 Cr01 N1 -56.3(5) . 6_575
C11 C11 Cr01 N1 -174.74(16) 6_575 6_575
C12 C11 Cr01 O1 -151.6(5) . .
C11 C11 Cr01 O1 89.93(6) 6_575 .
C12 C11 Cr01 C13 39.4(5) . .
C11 C11 Cr01 C13 -79.02(15) 6_575 .
C11 C11 Cr01 C12 -118.5(5) 6_575 .
C12 C11 Cr01 C12 82.2(7) . 6_575
C11 C11 Cr01 C12 -36.3(2) 6_575 6_575
C12 C11 Cr01 C13B 104.1(14) . .
C11 C11 Cr01 C13B -14.4(12) 6_575 .
C12 C11 Cr01 C11B 18.0(5) . .
C11 C11 Cr01 C11B -100.45(18) 6_575 .
C12 C11 Cr01 C11B 55.1(5) . 6_575
C11 C11 Cr01 C11B -63.37(17) 6_575 6_575
C12 C11 Cr01 C12B -3.2(9) . .
C11 C11 Cr01 C12B -121.6(6) 6_575 .
C12 C11 Cr01 C12B 90.9(5) . 6_575
C11 C11 Cr01 C12B -27.5(4) 6_575 6_575
N1 Cr01 C11B C11B -51.56(8) . 6_575
N1 Cr01 C11B C11B -135.84(9) 6_575 6_575
O1 Cr01 C11B C11B 120.4(3) . 6_575
C13 Cr01 C11B C11B 15.9(13) . 6_575
C12 Cr01 C11B C11B 124.3(7) . 6_575
C12 Cr01 C11B C11B 27.3(3) 6_575 6_575
C13B Cr01 C11B C11B 79.30(17) . 6_575
C12B Cr01 C11B C11B 116.2(5) . 6_575
C12B Cr01 C11B C11B 37.8(3) 6_575 6_575
C11 Cr01 C11B C11B 100.71(15) . 6_575
N1 Cr01 C11B C12B -167.8(5) . .
N1 Cr01 C11B C12B 107.9(5) 6_575 .
O1 Cr01 C11B C12B 4.1(6) . .
C13 Cr01 C11B C12B -100.3(14) . .
C12 Cr01 C11B C12B 8.0(9) . .
C12 Cr01 C11B C12B -89.0(5) 6_575 .
C13B Cr01 C11B C12B -36.9(5) . .
C11B Cr01 C11B C12B -116.2(5) 6_575 .
C12B Cr01 C11B C12B -78.5(7) 6_575 .
C11 Cr01 C11B C12B -15.5(5) . .
C11B C11B C12B C13B -1.6(12) 6_575 .
Cr01 C11B C12B C13B 62.2(10) . .
C11B C11B C12B Cr01 -63.8(3) 6_575 .
N1 Cr01 C12B C13B -93.3(6) . .
N1 Cr01 C12B C13B 166.0(5) 6_575 .
O1 Cr01 C12B C13B 65.5(6) . .
C13 Cr01 C12B C13B -89.7(7) . .
C12 Cr01 C12B C13B -138(3) . .
C12 Cr01 C12B C13B -48.8(6) 6_575 .
C11B Cr01 C12B C13B -116.9(8) . .
C11B Cr01 C12B C13B -79.7(7) 6_575 .
C12B Cr01 C12B C13B -37.5(6) 6_575 .
C11 Cr01 C12B C13B 31.2(5) . .
N1 Cr01 C12B C11B 23.5(9) . .
N1 Cr01 C12B C11B -77.1(5) 6_575 .
O1 Cr01 C12B C11B -177.6(4) . .
C13 Cr01 C12B C11B 27.2(5) . .
C12 Cr01 C12B C11B -21(2) . .
C12 Cr01 C12B C11B 68.1(5) 6_575 .
C13B Cr01 C12B C11B 116.9(8) . .
C11B Cr01 C12B C11B 37.2(4) 6_575 .
C12B Cr01 C12B C11B 79.4(5) 6_575 .
C11 Cr01 C12B C11B 148.1(9) . .
C11B C12B C13B C12B 3(2) . 6_575
Cr01 C12B C13B C12B 65.4(12) . 6_575
C11B C12B C13B Cr01 -62.8(9) . .
N1 Cr01 C13B C12B 136.4(5) . .
N1 Cr01 C13B C12B -20.3(8) 6_575 .
O1 Cr01 C13B C12B -122.0(6) . .
C13 Cr01 C13B C12B 58.0(6) . .
C12 Cr01 C13B C12B 9.8(7) . .
C12 Cr01 C13B C12B 106.3(7) 6_575 .
C11B Cr01 C13B C12B 37.4(5) . .
C11B Cr01 C13B C12B 78.7(6) 6_575 .
C12B Cr01 C13B C12B 116.1(11) 6_575 .
C11 Cr01 C13B C12B -45.6(10) . .
N1 Cr01 C13B C12B 20.3(8) . 6_575
N1 Cr01 C13B C12B -136.4(5) 6_575 6_575
O1 Cr01 C13B C12B 122.0(6) . 6_575
C13 Cr01 C13B C12B -58.0(6) . 6_575
C12 Cr01 C13B C12B -106.3(7) . 6_575
C12 Cr01 C13B C12B -9.8(7) 6_575 6_575
C11B Cr01 C13B C12B -78.7(6) . 6_575
C11B Cr01 C13B C12B -37.4(5) 6_575 6_575
C12B Cr01 C13B C12B -116.1(11) . 6_575
C11 Cr01 C13B C12B -161.7(15) . 6_575
O1 C10 C9 C8 -37.3(4) . .
C9 C10 C9 C8 56.5(4) 6_575 .
C10 C9 C8 C7 44.3(4) . .
O1 C7 C8 C9 -35.8(4) . .
C8 C7 C8 C9 57.4(3) 6_575 .
