#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:25:37 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178782 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/36/4103631.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_4103631
loop_
_publ_author_name
'K. Cory MacLeod'
'Julia L. Conway'
'Brian O. Patrick'
'Kevin M. Smith'
_publ_section_title
;
 Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R)
 Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17325
_journal_page_last               17334
_journal_paper_doi               10.1021/ja1083392
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C33 H48 Cr N2 Si'
_chemical_formula_weight         552.82
_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                109.825(6)
_cell_angle_beta                 90.183(7)
_cell_angle_gamma                110.206(7)
_cell_formula_units_Z            2
_cell_length_a                   10.656(3)
_cell_length_b                   11.407(3)
_cell_length_c                   14.526(4)
_cell_measurement_reflns_used    8743
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.93
_cell_measurement_theta_min      2.30
_cell_volume                     1544.3(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0184
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29195
_diffrn_reflns_theta_full        28.04
_diffrn_reflns_theta_max         28.04
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    0.432
_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_correction_T_min  0.807
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.189
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.513
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         7344
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0456P)²+0.7727P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0937
_reflns_number_gt                6512
_reflns_number_total             7344
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja1083392_si_002_04.cif
_cod_data_source_block           4_Xyl_CH2SiMe3
_cod_original_cell_volume        1544.4(8)
_cod_database_code               4103631
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
C1 C 0.17961(17) 0.95567(19) 0.37488(12) 0.0362(4) Uani 1 1 d .
H1A H 0.1423 1.0047 0.3459 0.054 Uiso 1 1 calc R
H1B H 0.1989 1.0013 0.4468 0.054 Uiso 1 1 calc R
H1C H 0.1140 0.8642 0.3586 0.054 Uiso 1 1 calc R
C2 C 0.30769(14) 0.95064(14) 0.33402(10) 0.0239(3) Uani 1 1 d .
C3 C 0.42657(15) 1.02959(14) 0.39815(10) 0.0250(3) Uani 1 1 d .
H3 H 0.4190 1.0588 0.4667 0.030 Uiso 1 1 calc R
C4 C 0.55575(14) 1.07045(13) 0.37243(10) 0.0224(3) Uani 1 1 d .
C5 C 0.66164(16) 1.18703(16) 0.44942(11) 0.0326(3) Uani 1 1 d .
H5A H 0.7450 1.1691 0.4507 0.049 Uiso 1 1 calc R
H5B H 0.6303 1.2005 0.5142 0.049 Uiso 1 1 calc R
H5C H 0.6789 1.2678 0.4338 0.049 Uiso 1 1 calc R
C6 C 0.17677(14) 0.82153(15) 0.17772(11) 0.0257(3) Uani 1 1 d .
C7 C 0.14440(15) 0.89884(17) 0.13189(12) 0.0308(3) Uani 1 1 d .
C8 C 0.02437(18) 0.8428(2) 0.06863(13) 0.0416(4) Uani 1 1 d .
H8 H 0.0013 0.8945 0.0369 0.050 Uiso 1 1 calc R
C9 C -0.06107(18) 0.7148(2) 0.05124(15) 0.0489(5) Uani 1 1 d .
H9 H -0.1428 0.6773 0.0073 0.059 Uiso 1 1 calc R
C10 C -0.02884(17) 0.64052(19) 0.09704(15) 0.0453(4) Uani 1 1 d .
H10 H -0.0894 0.5515 0.0847 0.054 Uiso 1 1 calc R
C11 C 0.08964(16) 0.69109(16) 0.16103(13) 0.0339(3) Uani 1 1 d .
C12 C 0.23714(17) 1.03829(18) 0.14838(14) 0.0381(4) Uani 1 1 d .
H12A H 0.1953 1.0778 0.1130 0.057 Uiso 1 1 calc R
H12B H 0.3223 1.0368 0.1238 0.057 Uiso 1 1 calc R
H12C H 0.2548 1.0920 0.2192 0.057 Uiso 1 1 calc R
C13 C 0.12114(19) 0.60738(18) 0.21032(17) 0.0471(5) Uani 1 1 d .
H13A H 0.0451 0.5217 0.1931 0.071 Uiso 1 1 calc R
H13B H 0.1366 0.6545 0.2821 0.071 Uiso 1 1 calc R
H13C H 0.2024 0.5910 0.1882 0.071 Uiso 1 1 calc R
C14 C 0.71095(14) 1.08757(13) 0.25809(10) 0.0221(3) Uani 1 1 d .
C15 C 0.82298(15) 1.05306(15) 0.26169(11) 0.0285(3) Uani 1 1 d .
C16 C 0.93857(16) 1.12183(18) 0.23023(14) 0.0388(4) Uani 1 1 d .
H16 H 1.0162 1.0994 0.2322 0.047 Uiso 1 1 calc R
C17 C 0.94340(18) 1.22156(19) 0.19630(14) 0.0428(4) Uani 1 1 d .
H17 H 1.0231 1.2662 0.1739 0.051 Uiso 1 1 calc R
C18 C 0.83329(17) 1.25665(17) 0.19485(13) 0.0373(4) Uani 1 1 d .
H18 H 0.8373 1.3265 0.1721 0.045 Uiso 1 1 calc R
C19 C 0.71590(15) 1.19124(14) 0.22628(11) 0.0272(3) Uani 1 1 d .
C20 C 0.82185(17) 0.94676(17) 0.29987(15) 0.0388(4) Uani 1 1 d .
H20A H 0.8965 0.9172 0.2781 0.058 Uiso 1 1 calc R
H20B H 0.7360 0.8705 0.2744 0.058 Uiso 1 1 calc R
H20C H 0.8323 0.9827 0.3722 0.058 Uiso 1 1 calc R
C21 C 0.59778(18) 1.23243(16) 0.22548(14) 0.0363(4) Uani 1 1 d .
H21A H 0.5988 1.2962 0.2910 0.054 Uiso 1 1 calc R
H21B H 0.5142 1.1533 0.2084 0.054 Uiso 1 1 calc R
H21C H 0.6026 1.2749 0.1765 0.054 Uiso 1 1 calc R
C22 C 0.5033(2) 0.67625(17) 0.06402(11) 0.0377(4) Uani 1 1 d .
H22 H 0.5212 0.6049 0.0737 0.045 Uiso 1 1 calc R
C23 C 0.59841(17) 0.79886(18) 0.07169(11) 0.0341(3) Uani 1 1 d .
H23 H 0.6930 0.8274 0.0891 0.041 Uiso 1 1 calc R
C24 C 0.53130(18) 0.87331(16) 0.04952(11) 0.0344(4) Uani 1 1 d .
H24 H 0.5724 0.9611 0.0484 0.041 Uiso 1 1 calc R
C25 C 0.39565(18) 0.7980(2) 0.02953(11) 0.0382(4) Uani 1 1 d .
H25 H 0.3266 0.8244 0.0119 0.046 Uiso 1 1 calc R
C26 C 0.37672(18) 0.67585(17) 0.03960(11) 0.0397(4) Uani 1 1 d .
H26 H 0.2926 0.6052 0.0313 0.048 Uiso 1 1 calc R
C27 C 0.47389(15) 0.73952(13) 0.28967(10) 0.0235(3) Uani 1 1 d .
H27A H 0.5449 0.8088 0.3440 0.028 Uiso 1 1 calc R
H27B H 0.3878 0.7279 0.3178 0.028 Uiso 1 1 calc R
C28 C 0.3685(2) 0.43225(17) 0.18253(16) 0.0450(4) Uani 1 1 d .
H28A H 0.2817 0.4190 0.2082 0.067 Uiso 1 1 calc R
H28B H 0.3922 0.3535 0.1726 0.067 Uiso 1 1 calc R
H28C H 0.3614 0.4446 0.1194 0.067 Uiso 1 1 calc R
C29 C 0.4951(3) 0.5554(2) 0.39225(16) 0.0542(5) Uani 1 1 d .
H29A H 0.5606 0.6341 0.4437 0.081 Uiso 1 1 calc R
H29B H 0.5170 0.4763 0.3849 0.081 Uiso 1 1 calc R
H29C H 0.4042 0.5411 0.4109 0.081 Uiso 1 1 calc R
C30 C 0.66833(19) 0.58783(18) 0.23244(16) 0.0442(4) Uani 1 1 d .
H30A H 0.6794 0.6139 0.1744 0.066 Uiso 1 1 calc R
H30B H 0.6730 0.4988 0.2156 0.066 Uiso 1 1 calc R
H30C H 0.7404 0.6530 0.2862 0.066 Uiso 1 1 calc R
C31 C 0.0257(3) 0.4470(3) 0.4771(2) 0.0765(8) Uani 1 1 d .
H31A H 0.0994 0.4810 0.4406 0.092 Uiso 1 1 calc R
H31B H -0.0476 0.3713 0.4277 0.092 Uiso 1 1 calc R
C32 C 0.0767(5) 0.3943(4) 0.5414(3) 0.1098(13) Uani 1 1 d .
H32A H 0.1552 0.4684 0.5869 0.132 Uiso 1 1 calc R
H32B H 0.0059 0.3680 0.5823 0.132 Uiso 1 1 calc R
C33 C 0.1175(4) 0.2813(4) 0.4958(3) 0.1141(14) Uani 1 1 d .
H33A H 0.0427 0.2077 0.4481 0.171 Uiso 1 1 calc R
H33B H 0.1421 0.2517 0.5467 0.171 Uiso 1 1 calc R
H33C H 0.1955 0.3082 0.4616 0.171 Uiso 1 1 calc R
N1 N 0.30264(11) 0.87680(11) 0.24048(8) 0.0216(2) Uani 1 1 d .
N2 N 0.58679(11) 1.01496(11) 0.28431(8) 0.0195(2) Uani 1 1 d .
Si1 Si 0.50153(4) 0.58349(4) 0.27256(3) 0.02783(10) Uani 1 1 d .
Cr1 Cr 0.46408(2) 0.83459(2) 0.190400(15) 0.01775(7) Uani 1 1 d .
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'
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
C2 C1 H1A 109.5 .
C2 C1 H1B 109.5 .
H1A C1 H1B 109.5 .
C2 C1 H1C 109.5 .
H1A C1 H1C 109.5 .
H1B C1 H1C 109.5 .
N1 C2 C3 123.84(13) .
N1 C2 C1 119.80(13) .
C3 C2 C1 116.33(13) .
C2 C3 C4 126.61(13) .
C2 C3 H3 116.7 .
C4 C3 H3 116.7 .
N2 C4 C3 123.54(13) .
N2 C4 C5 119.86(13) .
C3 C4 C5 116.57(13) .
C4 C5 H5A 109.5 .
C4 C5 H5B 109.5 .
H5A C5 H5B 109.5 .
C4 C5 H5C 109.5 .
H5A C5 H5C 109.5 .
H5B C5 H5C 109.5 .
C11 C6 C7 120.70(14) .
C11 C6 N1 120.08(14) .
C7 C6 N1 119.20(13) .
C8 C7 C6 118.77(16) .
C8 C7 C12 119.88(16) .
C6 C7 C12 121.34(14) .
C9 C8 C7 120.91(18) .
C9 C8 H8 119.5 .
C7 C8 H8 119.5 .
C8 C9 C10 119.78(17) .
C8 C9 H9 120.1 .
C10 C9 H9 120.1 .
C9 C10 C11 121.90(18) .
C9 C10 H10 119.1 .
C11 C10 H10 119.1 .
C10 C11 C6 117.93(17) .
C10 C11 C13 120.43(16) .
C6 C11 C13 121.64(15) .
C7 C12 H12A 109.5 .
C7 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C7 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C11 C13 H13A 109.5 .
C11 C13 H13B 109.5 .
H13A C13 H13B 109.5 .
C11 C13 H13C 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
C15 C14 C19 120.76(13) .
C15 C14 N2 120.58(13) .
C19 C14 N2 118.64(13) .
C16 C15 C14 118.23(15) .
C16 C15 C20 120.15(15) .
C14 C15 C20 121.62(14) .
C17 C16 C15 121.49(16) .
C17 C16 H16 119.3 .
C15 C16 H16 119.3 .
C18 C17 C16 119.85(16) .
C18 C17 H17 120.1 .
C16 C17 H17 120.1 .
C17 C18 C19 120.61(16) .
C17 C18 H18 119.7 .
C19 C18 H18 119.7 .
C18 C19 C14 119.02(15) .
C18 C19 C21 119.73(15) .
C14 C19 C21 121.25(13) .
C15 C20 H20A 109.5 .
C15 C20 H20B 109.5 .
H20A C20 H20B 109.5 .
C15 C20 H20C 109.5 .
H20A C20 H20C 109.5 .
H20B C20 H20C 109.5 .
C19 C21 H21A 109.5 .
C19 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
C19 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
C23 C22 C26 107.83(15) .
C23 C22 Cr1 72.59(9) .
C26 C22 Cr1 71.93(9) .
C23 C22 H22 126.1 .
C26 C22 H22 126.1 .
Cr1 C22 H22 121.2 .
C22 C23 C24 108.09(15) .
C22 C23 Cr1 71.80(9) .
C24 C23 Cr1 73.70(9) .
C22 C23 H23 126.0 .
C24 C23 H23 126.0 .
Cr1 C23 H23 120.3 .
C25 C24 C23 108.22(15) .
C25 C24 Cr1 72.52(9) .
C23 C24 Cr1 70.80(9) .
C25 C24 H24 125.9 .
C23 C24 H24 125.9 .
Cr1 C24 H24 122.5 .
C24 C25 C26 108.15(16) .
C24 C25 Cr1 72.79(9) .
C26 C25 Cr1 70.36(9) .
C24 C25 H25 125.9 .
C26 C25 H25 125.9 .
Cr1 C25 H25 122.6 .
C22 C26 C25 107.68(15) .
C22 C26 Cr1 72.10(9) .
C25 C26 Cr1 73.94(9) .
C22 C26 H26 126.2 .
C25 C26 H26 126.2 .
Cr1 C26 H26 119.7 .
Si1 C27 Cr1 131.48(7) .
Si1 C27 H27A 104.4 .
Cr1 C27 H27A 104.4 .
Si1 C27 H27B 104.4 .
Cr1 C27 H27B 104.4 .
H27A C27 H27B 105.6 .
Si1 C28 H28A 109.5 .
Si1 C28 H28B 109.5 .
H28A C28 H28B 109.5 .
Si1 C28 H28C 109.5 .
H28A C28 H28C 109.5 .
H28B C28 H28C 109.5 .
Si1 C29 H29A 109.5 .
Si1 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
Si1 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
Si1 C30 H30A 109.5 .
Si1 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
Si1 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
C31 C31 C32 117.8(3) 2_566
C31 C31 H31A 107.9 2_566
C32 C31 H31A 107.9 .
C31 C31 H31B 107.9 2_566
C32 C31 H31B 107.9 .
H31A C31 H31B 107.2 .
C33 C32 C31 118.1(3) .
C33 C32 H32A 107.8 .
C31 C32 H32A 107.8 .
C33 C32 H32B 107.8 .
C31 C32 H32B 107.8 .
H32A C32 H32B 107.1 .
C32 C33 H33A 109.5 .
C32 C33 H33B 109.5 .
H33A C33 H33B 109.5 .
C32 C33 H33C 109.5 .
H33A C33 H33C 109.5 .
H33B C33 H33C 109.5 .
C2 N1 C6 117.82(12) .
C2 N1 Cr1 120.93(9) .
C6 N1 Cr1 121.15(9) .
C4 N2 C14 117.75(11) .
C4 N2 Cr1 121.22(9) .
C14 N2 Cr1 121.03(9) .
C27 Si1 C28 113.18(8) .
C27 Si1 C30 112.72(7) .
C28 Si1 C30 108.06(9) .
C27 Si1 C29 109.19(8) .
C28 Si1 C29 105.65(11) .
C30 Si1 C29 107.66(10) .
N2 Cr1 N1 89.82(5) .
N2 Cr1 C27 93.03(6) .
N1 Cr1 C27 93.73(5) .
N2 Cr1 C26 154.20(6) .
N1 Cr1 C26 102.60(6) .
C27 Cr1 C26 108.38(7) .
N2 Cr1 C22 132.06(6) .
N1 Cr1 C22 137.17(6) .
C27 Cr1 C22 92.61(6) .
C26 Cr1 C22 35.98(7) .
N2 Cr1 C23 99.62(6) .
N1 Cr1 C23 151.81(6) .
C27 Cr1 C23 112.05(6) .
C26 Cr1 C23 59.50(6) .
C22 Cr1 C23 35.60(6) .
N2 Cr1 C25 122.16(6) .
N1 Cr1 C25 93.71(6) .
C27 Cr1 C25 144.00(6) .
C26 Cr1 C25 35.70(7) .
C22 Cr1 C25 59.24(7) .
C23 Cr1 C25 58.77(6) .
N2 Cr1 C24 95.28(6) .
N1 Cr1 C24 117.64(6) .
C27 Cr1 C24 147.48(6) .
C26 Cr1 C24 58.93(6) .
C22 Cr1 C24 59.05(6) .
C23 Cr1 C24 35.50(6) .
C25 Cr1 C24 34.69(6) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.502(2) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 N1 1.3230(18) .
C2 C3 1.385(2) .
C3 C4 1.389(2) .
C3 H3 0.9500 .
C4 N2 1.3215(18) .
C4 C5 1.496(2) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C11 1.391(2) .
C6 C7 1.395(2) .
C6 N1 1.4303(18) .
C7 C8 1.385(2) .
C7 C12 1.489(2) .
C8 C9 1.363(3) .
C8 H8 0.9500 .
C9 C10 1.364(3) .
C9 H9 0.9500 .
C10 C11 1.384(2) .
C10 H10 0.9500 .
C11 C13 1.490(3) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.386(2) .
C14 C19 1.394(2) .
C14 N2 1.4289(17) .
C15 C16 1.386(2) .
C15 C20 1.491(2) .
C16 C17 1.371(3) .
C16 H16 0.9500 .
C17 C18 1.367(3) .
C17 H17 0.9500 .
C18 C19 1.386(2) .
C18 H18 0.9500 .
C19 C21 1.489(2) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.382(3) .
C22 C26 1.392(3) .
C22 Cr1 2.2552(15) .
C22 H22 0.9500 .
C23 C24 1.393(2) .
C23 Cr1 2.2652(15) .
C23 H23 0.9500 .
C24 C25 1.372(3) .
C24 Cr1 2.3022(16) .
C24 H24 0.9500 .
C25 C26 1.396(3) .
C25 Cr1 2.2988(17) .
C25 H25 0.9500 .
C26 Cr1 2.2530(16) .
C26 H26 0.9500 .
C27 Si1 1.8382(15) .
C27 Cr1 2.0987(14) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 Si1 1.8616(19) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 Si1 1.869(2) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 Si1 1.8620(19) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C31 1.455(6) 2_566
C31 C32 1.461(4) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.448(5) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
N1 Cr1 2.0158(12) .
N2 Cr1 2.0077(12) .
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
N1 C2 C3 C4 16.6(2) .
C1 C2 C3 C4 -161.17(15) .
C2 C3 C4 N2 -16.0(2) .
C2 C3 C4 C5 161.79(15) .
C11 C6 C7 C8 -0.6(2) .
N1 C6 C7 C8 177.84(14) .
C11 C6 C7 C12 -179.51(15) .
N1 C6 C7 C12 -1.0(2) .
C6 C7 C8 C9 0.1(3) .
C12 C7 C8 C9 178.99(17) .
C7 C8 C9 C10 0.4(3) .
C8 C9 C10 C11 -0.4(3) .
C9 C10 C11 C6 -0.1(3) .
C9 C10 C11 C13 179.58(19) .
C7 C6 C11 C10 0.6(2) .
N1 C6 C11 C10 -177.81(15) .
C7 C6 C11 C13 -179.07(16) .
N1 C6 C11 C13 2.5(2) .
C19 C14 C15 C16 -1.8(2) .
N2 C14 C15 C16 176.45(14) .
C19 C14 C15 C20 177.12(14) .
N2 C14 C15 C20 -4.6(2) .
C14 C15 C16 C17 0.0(2) .
C20 C15 C16 C17 -178.91(16) .
C15 C16 C17 C18 1.3(3) .
C16 C17 C18 C19 -0.8(3) .
C17 C18 C19 C14 -0.9(2) .
C17 C18 C19 C21 179.10(16) .
C15 C14 C19 C18 2.2(2) .
N2 C14 C19 C18 -176.01(13) .
C15 C14 C19 C21 -177.80(14) .
N2 C14 C19 C21 3.9(2) .
C26 C22 C23 C24 -1.54(17) .
Cr1 C22 C23 C24 -65.28(11) .
C26 C22 C23 Cr1 63.74(11) .
C22 C23 C24 C25 0.75(17) .
Cr1 C23 C24 C25 -63.29(11) .
C22 C23 C24 Cr1 64.04(11) .
C23 C24 C25 C26 0.33(17) .
Cr1 C24 C25 C26 -61.85(11) .
C23 C24 C25 Cr1 62.18(11) .
C23 C22 C26 C25 1.74(17) .
Cr1 C22 C26 C25 65.92(11) .
C23 C22 C26 Cr1 -64.18(11) .
C24 C25 C26 C22 -1.28(18) .
Cr1 C25 C26 C22 -64.69(11) .
C24 C25 C26 Cr1 63.41(11) .
C31 C31 C32 C33 174.9(4) 2_566
C3 C2 N1 C6 -167.84(14) .
C1 C2 N1 C6 9.9(2) .
C3 C2 N1 Cr1 15.79(19) .
C1 C2 N1 Cr1 -166.50(11) .
C11 C6 N1 C2 -95.93(17) .
C7 C6 N1 C2 85.60(17) .
C11 C6 N1 Cr1 80.44(16) .
C7 C6 N1 Cr1 -98.03(14) .
C3 C4 N2 C14 163.04(13) .
C5 C4 N2 C14 -14.64(19) .
C3 C4 N2 Cr1 -17.09(19) .
C5 C4 N2 Cr1 165.23(11) .
C15 C14 N2 C4 102.18(16) .
C19 C14 N2 C4 -79.56(17) .
C15 C14 N2 Cr1 -77.69(15) .
C19 C14 N2 Cr1 100.57(13) .
Cr1 C27 Si1 C28 -61.57(13) .
Cr1 C27 Si1 C30 61.45(13) .
Cr1 C27 Si1 C29 -178.94(12) .
C4 N2 Cr1 N1 34.63(11) .
C14 N2 Cr1 N1 -145.51(10) .
C4 N2 Cr1 C27 -59.10(11) .
C14 N2 Cr1 C27 120.77(11) .
C4 N2 Cr1 C26 154.28(14) .
C14 N2 Cr1 C26 -25.86(19) .
C4 N2 Cr1 C22 -155.37(10) .
C14 N2 Cr1 C22 24.49(13) .
C4 N2 Cr1 C23 -172.07(11) .
C14 N2 Cr1 C23 7.79(11) .
C4 N2 Cr1 C25 128.90(11) .
C14 N2 Cr1 C25 -51.24(12) .
C4 N2 Cr1 C24 152.38(11) .
C14 N2 Cr1 C24 -27.76(11) .
C2 N1 Cr1 N2 -33.94(11) .
C6 N1 Cr1 N2 149.80(11) .
C2 N1 Cr1 C27 59.09(11) .
C6 N1 Cr1 C27 -117.17(11) .
C2 N1 Cr1 C26 168.86(11) .
C6 N1 Cr1 C26 -7.39(12) .
C2 N1 Cr1 C22 156.99(11) .
C6 N1 Cr1 C22 -19.27(14) .
C2 N1 Cr1 C23 -144.28(13) .
C6 N1 Cr1 C23 39.46(17) .
C2 N1 Cr1 C25 -156.16(12) .
C6 N1 Cr1 C25 27.58(12) .
C2 N1 Cr1 C24 -129.81(11) .
C6 N1 Cr1 C24 53.93(12) .
Si1 C27 Cr1 N2 -133.36(10) .
Si1 C27 Cr1 N1 136.63(10) .
Si1 C27 Cr1 C26 32.03(12) .
Si1 C27 Cr1 C22 -0.99(11) .
Si1 C27 Cr1 C23 -31.71(12) .
Si1 C27 Cr1 C25 35.09(17) .
Si1 C27 Cr1 C24 -28.60(17) .
C22 C26 Cr1 N2 76.71(18) .
C25 C26 Cr1 N2 -38.4(2) .
C22 C26 Cr1 N1 -166.23(10) .
C25 C26 Cr1 N1 78.62(11) .
C22 C26 Cr1 C27 -67.92(11) .
C25 C26 Cr1 C27 176.92(10) .
C25 C26 Cr1 C22 -115.16(15) .
C22 C26 Cr1 C23 37.36(10) .
C25 C26 Cr1 C23 -77.80(11) .
C22 C26 Cr1 C25 115.16(15) .
C22 C26 Cr1 C24 78.92(11) .
C25 C26 Cr1 C24 -36.24(10) .
C23 C22 Cr1 N2 -29.12(13) .
C26 C22 Cr1 N2 -145.22(10) .
C23 C22 Cr1 N1 136.08(10) .
C26 C22 Cr1 N1 19.98(14) .
C23 C22 Cr1 C27 -125.58(11) .
C26 C22 Cr1 C27 118.32(11) .
C23 C22 Cr1 C26 116.10(15) .
C26 C22 Cr1 C23 -116.10(15) .
C23 C22 Cr1 C25 78.17(11) .
C26 C22 Cr1 C25 -37.93(10) .
C23 C22 Cr1 C24 37.53(10) .
C26 C22 Cr1 C24 -78.57(11) .
C22 C23 Cr1 N2 158.50(10) .
C24 C23 Cr1 N2 -85.60(10) .
C22 C23 Cr1 N1 -93.49(15) .
C24 C23 Cr1 N1 22.41(17) .
C22 C23 Cr1 C27 61.23(12) .
C24 C23 Cr1 C27 177.13(9) .
C22 C23 Cr1 C26 -37.76(11) .
C24 C23 Cr1 C26 78.14(11) .
C24 C23 Cr1 C22 115.90(15) .
C22 C23 Cr1 C25 -79.59(12) .
C24 C23 Cr1 C25 36.31(10) .
C22 C23 Cr1 C24 -115.90(15) .
C24 C25 Cr1 N2 44.18(12) .
C26 C25 Cr1 N2 161.36(10) .
C24 C25 Cr1 N1 136.31(10) .
C26 C25 Cr1 N1 -106.52(11) .
C24 C25 Cr1 C27 -122.15(12) .
C26 C25 Cr1 C27 -4.97(16) .
C24 C25 Cr1 C26 -117.18(15) .
C24 C25 Cr1 C22 -78.95(11) .
C26 C25 Cr1 C22 38.23(11) .
C24 C25 Cr1 C23 -37.16(10) .
C26 C25 Cr1 C23 80.01(11) .
C26 C25 Cr1 C24 117.18(15) .
C25 C24 Cr1 N2 -143.66(10) .
C23 C24 Cr1 N2 99.16(10) .
C25 C24 Cr1 N1 -51.09(12) .
C23 C24 Cr1 N1 -168.27(9) .
C25 C24 Cr1 C27 112.22(14) .
C23 C24 Cr1 C27 -4.96(16) .
C25 C24 Cr1 C26 37.30(11) .
C23 C24 Cr1 C26 -79.88(11) .
C25 C24 Cr1 C22 79.54(12) .
C23 C24 Cr1 C22 -37.64(10) .
C25 C24 Cr1 C23 117.18(15) .
C23 C24 Cr1 C25 -117.18(15) .
