#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:02:04 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178591 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/02/4070265.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_4070265
loop_
_publ_author_name
'Rozenel, Sergio S.'
'Chomitz, Wayne A.'
'Arnold, John'
_publ_section_title
;
 Chromium Complexes Supported by the Multidentate Monoanionic N2P2Ligand:
 Reduction Chemistry and Reactivity with Ethylene
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              6243
_journal_paper_doi               10.1021/om900695s
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C44 H104 Cr2 N4 P4 Si2'
_chemical_formula_sum            'C44 H104 Cr2 N4 P4 Si2'
_chemical_formula_weight         973.39
_chemical_melting_point          89.0(10)
_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                114.965(2)
_cell_angle_beta                 108.976(2)
_cell_angle_gamma                90.341(2)
_cell_formula_units_Z            1
_cell_length_a                   10.9976(16)
_cell_length_b                   12.2720(18)
_cell_length_c                   12.4998(19)
_cell_measurement_reflns_used    2216
_cell_measurement_temperature    144(2)
_cell_measurement_theta_max      49.858
_cell_measurement_theta_min      6.661
_cell_volume                     1425.9(4)
_computing_cell_refinement       'Bruker SAINT v7.07'
_computing_data_collection       'Bruker SMART v5.054d'
_computing_data_reduction        'Bruker SAINT v7.07'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      144(2)
_diffrn_measured_fraction_theta_full 0.890
_diffrn_measured_fraction_theta_max 0.890
_diffrn_measurement_device_type  'SMART 1000'
_diffrn_measurement_method       'w/ scans'
_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  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7858
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         3.33
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.566
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.844
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.342
_refine_diff_density_min         -0.236
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.819
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         5186
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.819
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0358
_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)+(0.0337P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
_refine_ls_wR_factor_ref         0.0783
_reflns_number_gt                3084
_reflns_number_total             5823
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900695s_si_002.cif
_cod_data_source_block           srd168m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '88-90' was changed to '89.0(10)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1426.0(4)
_cod_original_sg_symbol_H-M      'P - 1'
_cod_database_code               4070265
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
Cr1 Cr 0.05071(4) 0.48361(4) 0.10175(4) 0.02415(13) Uani 1 1 d .
P1 P -0.11706(7) 0.38236(6) 0.15047(6) 0.02472(18) Uani 1 1 d .
Si1 Si 0.25583(7) 0.54233(7) 0.33192(7) 0.02654(19) Uani 1 1 d .
P2 P 0.28869(7) 0.97672(6) 0.47837(7) 0.0316(2) Uani 1 1 d .
N1 N 0.11373(19) 0.61472(17) 0.30487(17) 0.0221(5) Uani 1 1 d .
N2 N 0.19951(19) 0.41788(17) 0.19166(18) 0.0233(5) Uani 1 1 d .
C15 C 0.1368(3) 0.7413(2) 0.3201(2) 0.0280(7) Uani 1 1 d .
H15A H 0.0537 0.7588 0.2737 0.034 Uiso 1 1 calc R
H15B H 0.1997 0.7449 0.2798 0.034 Uiso 1 1 calc R
C8 C -0.0433(3) 0.4777(2) 0.3227(2) 0.0289(7) Uani 1 1 d .
H8A H -0.1111 0.4818 0.3598 0.035 Uiso 1 1 calc R
H8B H 0.0252 0.4378 0.3588 0.035 Uiso 1 1 calc R
C7 C 0.0169(3) 0.6072(2) 0.3619(2) 0.0297(7) Uani 1 1 d .
H7A H -0.0538 0.6514 0.3380 0.036 Uiso 1 1 calc R
H7B H 0.0598 0.6493 0.4552 0.036 Uiso 1 1 calc R
C16 C 0.1889(3) 0.8424(2) 0.4575(2) 0.0294(7) Uani 1 1 d .
H16A H 0.2423 0.8088 0.5132 0.035 Uiso 1 1 calc R
H16B H 0.1142 0.8686 0.4842 0.035 Uiso 1 1 calc R
C5 C 0.4033(3) 0.6459(2) 0.3662(2) 0.0376(7) Uani 1 1 d .
H5A H 0.4803 0.6067 0.3811 0.056 Uiso 1 1 calc R
H5B H 0.4152 0.7225 0.4416 0.056 Uiso 1 1 calc R
H5C H 0.3918 0.6627 0.2938 0.056 Uiso 1 1 calc R
C1 C 0.2650(3) 0.3137(2) 0.1408(2) 0.0275(7) Uani 1 1 d .
C2 C 0.1675(3) 0.2136(2) 0.0194(3) 0.0444(8) Uani 1 1 d .
H2A H 0.1293 0.2464 -0.0410 0.067 Uiso 1 1 calc R
H2B H 0.0983 0.1834 0.0383 0.067 Uiso 1 1 calc R
H2C H 0.2121 0.1466 -0.0173 0.067 Uiso 1 1 calc R
C6 C 0.2926(3) 0.5269(3) 0.4826(2) 0.0392(8) Uani 1 1 d .
H6A H 0.3780 0.5017 0.5047 0.059 Uiso 1 1 calc R
H6B H 0.2253 0.4655 0.4704 0.059 Uiso 1 1 calc R
H6C H 0.2936 0.6055 0.5512 0.059 Uiso 1 1 calc R
C3 C 0.3178(4) 0.2621(3) 0.2350(3) 0.0644(11) Uani 1 1 d .
H3A H 0.3863 0.3232 0.3111 0.097 Uiso 1 1 calc R
H3B H 0.3540 0.1889 0.1967 0.097 Uiso 1 1 calc R
H3C H 0.2470 0.2409 0.2579 0.097 Uiso 1 1 calc R
C4 C 0.3764(3) 0.3510(3) 0.1100(3) 0.0571(10) Uani 1 1 d .
H4A H 0.3436 0.3870 0.0517 0.086 Uiso 1 1 calc R
H4B H 0.4138 0.2791 0.0705 0.086 Uiso 1 1 calc R
H4C H 0.4438 0.4110 0.1882 0.086 Uiso 1 1 calc R
C17 C 0.1645(3) 1.0678(2) 0.4392(3) 0.0438(8) Uani 1 1 d .
H17A H 0.0994 1.0676 0.4795 0.053 Uiso 1 1 calc R
C20 C 0.2269(3) 1.1991(2) 0.4873(3) 0.0543(9) Uani 1 1 d .
H20A H 0.1598 1.2447 0.4620 0.081 Uiso 1 1 calc R
H20B H 0.2934 1.1996 0.4510 0.081 Uiso 1 1 calc R
H20C H 0.2675 1.2372 0.5798 0.081 Uiso 1 1 calc R
C18 C 0.3634(3) 1.0605(3) 0.6539(3) 0.0543(10) Uani 1 1 d .
H18A H 0.4147 1.1386 0.6738 0.065 Uiso 1 1 calc R
C19 C 0.0947(3) 1.0131(3) 0.2966(3) 0.0806(13) Uani 1 1 d .
H19A H 0.0326 1.0647 0.2763 0.121 Uiso 1 1 calc R
H19B H 0.0479 0.9312 0.2654 0.121 Uiso 1 1 calc R
H19C H 0.1588 1.0082 0.2562 0.121 Uiso 1 1 calc R
C22 C 0.2680(4) 1.0958(3) 0.7240(3) 0.0802(13) Uani 1 1 d .
H22A H 0.3167 1.1441 0.8149 0.120 Uiso 1 1 calc R
H22B H 0.2169 1.0219 0.7095 0.120 Uiso 1 1 calc R
H22C H 0.2092 1.1442 0.6926 0.120 Uiso 1 1 calc R
C21 C 0.4613(4) 0.9905(3) 0.7036(3) 0.0789(13) Uani 1 1 d .
H21A H 0.5097 1.0404 0.7942 0.118 Uiso 1 1 calc R
H21B H 0.5222 0.9713 0.6583 0.118 Uiso 1 1 calc R
H21C H 0.4151 0.9147 0.6903 0.118 Uiso 1 1 calc R
C9 C -0.2910(2) 0.3985(2) 0.1050(2) 0.0317(7) Uani 1 1 d .
H9A H -0.3368 0.3492 0.1313 0.038 Uiso 1 1 calc R
C10 C -0.1175(3) 0.2287(2) 0.1436(2) 0.0320(7) Uani 1 1 d .
H10A H -0.0239 0.2209 0.1779 0.038 Uiso 1 1 calc R
C11 C -0.3519(3) 0.3485(3) -0.0391(3) 0.0464(8) Uani 1 1 d .
H11A H -0.4453 0.3524 -0.0640 0.070 Uiso 1 1 calc R
H11B H -0.3396 0.2636 -0.0795 0.070 Uiso 1 1 calc R
H11C H -0.3097 0.3975 -0.0661 0.070 Uiso 1 1 calc R
C14 C -0.1732(3) 0.1281(2) 0.0078(3) 0.0521(9) Uani 1 1 d .
H14A H -0.1487 0.0508 0.0057 0.078 Uiso 1 1 calc R
H14B H -0.1384 0.1488 -0.0454 0.078 Uiso 1 1 calc R
H14C H -0.2685 0.1200 -0.0242 0.078 Uiso 1 1 calc R
C12 C -0.3092(3) 0.5308(2) 0.1689(3) 0.0464(8) Uani 1 1 d .
H12A H -0.4020 0.5364 0.1385 0.070 Uiso 1 1 calc R
H12B H -0.2600 0.5813 0.1485 0.070 Uiso 1 1 calc R
H12C H -0.2773 0.5598 0.2608 0.070 Uiso 1 1 calc R
C13 C -0.1831(3) 0.2061(3) 0.2249(3) 0.0520(9) Uani 1 1 d .
H13A H -0.1758 0.1239 0.2177 0.078 Uiso 1 1 calc R
H13B H -0.2753 0.2136 0.1957 0.078 Uiso 1 1 calc R
H13C H -0.1401 0.2663 0.3135 0.078 Uiso 1 1 calc R
H1 H 0.059(2) 0.4140(18) -0.0575(18) 0.027(6) Uiso 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'
P P 0.1023 0.0942 '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
N2 Cr1 N1 74.97(7) . .
N2 Cr1 P1 91.98(6) . .
N1 Cr1 P1 84.03(6) . .
N2 Cr1 Cr1 143.46(6) . 2_565
N1 Cr1 Cr1 130.56(6) . 2_565
P1 Cr1 Cr1 113.81(3) . 2_565
N2 Cr1 Si1 36.27(5) . .
N1 Cr1 Si1 40.04(5) . .
P1 Cr1 Si1 95.36(3) . .
Cr1 Cr1 Si1 149.36(3) 2_565 .
N2 Cr1 H1 99.8(6) . .
N1 Cr1 H1 156.0(7) . .
P1 Cr1 H1 119.9(7) . .
Cr1 Cr1 H1 45.5(6) 2_565 .
Si1 Cr1 H1 127.0(6) . .
C8 P1 C9 106.07(12) . .
C8 P1 C10 100.23(12) . .
C9 P1 C10 104.17(12) . .
C8 P1 Cr1 94.08(9) . .
C9 P1 Cr1 123.23(9) . .
C10 P1 Cr1 123.94(9) . .
N2 Si1 N1 96.18(9) . .
N2 Si1 C5 117.55(12) . .
N1 Si1 C5 109.55(11) . .
N2 Si1 C6 119.92(11) . .
N1 Si1 C6 110.10(11) . .
C5 Si1 C6 103.20(12) . .
N2 Si1 Cr1 46.13(7) . .
N1 Si1 Cr1 52.01(6) . .
C5 Si1 Cr1 115.71(9) . .
C6 Si1 Cr1 140.59(9) . .
C17 P2 C16 102.36(13) . .
C17 P2 C18 102.83(15) . .
C16 P2 C18 101.09(12) . .
C7 N1 C15 108.99(19) . .
C7 N1 Si1 119.26(16) . .
C15 N1 Si1 116.55(17) . .
C7 N1 Cr1 112.71(15) . .
C15 N1 Cr1 109.50(14) . .
Si1 N1 Cr1 87.95(8) . .
C1 N2 Si1 128.76(17) . .
C1 N2 Cr1 130.91(16) . .
Si1 N2 Cr1 97.60(9) . .
N1 C15 C16 115.5(2) . .
N1 C15 H15A 108.4 . .
C16 C15 H15A 108.4 . .
N1 C15 H15B 108.4 . .
C16 C15 H15B 108.4 . .
H15A C15 H15B 107.5 . .
C7 C8 P1 114.46(17) . .
C7 C8 H8A 108.6 . .
P1 C8 H8A 108.6 . .
C7 C8 H8B 108.6 . .
P1 C8 H8B 108.6 . .
H8A C8 H8B 107.6 . .
N1 C7 C8 114.4(2) . .
N1 C7 H7A 108.7 . .
C8 C7 H7A 108.7 . .
N1 C7 H7B 108.7 . .
C8 C7 H7B 108.7 . .
H7A C7 H7B 107.6 . .
C15 C16 P2 113.08(17) . .
C15 C16 H16A 109.0 . .
P2 C16 H16A 109.0 . .
C15 C16 H16B 109.0 . .
P2 C16 H16B 109.0 . .
H16A C16 H16B 107.8 . .
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 . .
N2 C1 C4 111.1(2) . .
N2 C1 C2 109.4(2) . .
C4 C1 C2 108.1(2) . .
N2 C1 C3 110.8(2) . .
C4 C1 C3 109.0(2) . .
C2 C1 C3 108.4(2) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 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 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C19 C17 C20 108.6(3) . .
C19 C17 P2 110.0(2) . .
C20 C17 P2 110.9(2) . .
C19 C17 H17A 109.1 . .
C20 C17 H17A 109.1 . .
P2 C17 H17A 109.1 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C21 C18 C22 111.7(3) . .
C21 C18 P2 109.7(2) . .
C22 C18 P2 115.9(2) . .
C21 C18 H18A 106.3 . .
C22 C18 H18A 106.3 . .
P2 C18 H18A 106.3 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C22 H22A 109.5 . .
C18 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C18 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C18 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C18 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C12 C9 C11 110.0(2) . .
C12 C9 P1 111.91(18) . .
C11 C9 P1 109.28(19) . .
C12 C9 H9A 108.5 . .
C11 C9 H9A 108.5 . .
P1 C9 H9A 108.5 . .
C14 C10 C13 110.4(2) . .
C14 C10 P1 111.94(18) . .
C13 C10 P1 115.28(19) . .
C14 C10 H10A 106.2 . .
C13 C10 H10A 106.2 . .
P1 C10 H10A 106.2 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C14 H14A 109.5 . .
C10 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C10 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C10 C13 H13A 109.5 . .
C10 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C10 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 N2 2.0437(19) .
Cr1 N1 2.2158(19) .
Cr1 P1 2.5810(8) .
Cr1 Cr1 2.6268(9) 2_565
Cr1 Si1 2.8098(9) .
Cr1 H1 1.84(2) .
P1 C8 1.841(2) .
P1 C9 1.848(3) .
P1 C10 1.851(3) .
Si1 N2 1.677(2) .
Si1 N1 1.809(2) .
Si1 C5 1.869(3) .
Si1 C6 1.886(3) .
P2 C17 1.844(3) .
P2 C16 1.849(3) .
P2 C18 1.860(3) .
N1 C7 1.483(3) .
N1 C15 1.493(3) .
N2 C1 1.476(3) .
C15 C16 1.539(3) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C8 C7 1.525(3) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C1 C4 1.519(4) .
C1 C2 1.521(3) .
C1 C3 1.521(3) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C17 C19 1.520(4) .
C17 C20 1.526(4) .
C17 H17A 1.0000 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C18 C21 1.519(4) .
C18 C22 1.530(4) .
C18 H18A 1.0000 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C9 C12 1.525(3) .
C9 C11 1.533(3) .
C9 H9A 1.0000 .
C10 C14 1.525(4) .
C10 C13 1.531(4) .
C10 H10A 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
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
N2 Cr1 P1 C8 65.74(10) .
N1 Cr1 P1 C8 -8.93(10) .
Cr1 Cr1 P1 C8 -140.88(9) 2_565
Si1 Cr1 P1 C8 29.54(9) .
N2 Cr1 P1 C9 177.98(11) .
N1 Cr1 P1 C9 103.31(11) .
Cr1 Cr1 P1 C9 -28.64(10) 2_565
Si1 Cr1 P1 C9 141.78(10) .
N2 Cr1 P1 C10 -39.49(12) .
N1 Cr1 P1 C10 -114.15(12) .
Cr1 Cr1 P1 C10 113.90(11) 2_565
Si1 Cr1 P1 C10 -75.68(11) .
N1 Cr1 Si1 N2 160.11(13) .
P1 Cr1 Si1 N2 86.03(10) .
Cr1 Cr1 Si1 N2 -111.36(11) 2_565
N2 Cr1 Si1 N1 -160.11(13) .
P1 Cr1 Si1 N1 -74.09(8) .
Cr1 Cr1 Si1 N1 88.53(10) 2_565
N2 Cr1 Si1 C5 104.43(14) .
N1 Cr1 Si1 C5 -95.45(12) .
P1 Cr1 Si1 C5 -169.54(10) .
Cr1 Cr1 Si1 C5 -6.92(12) 2_565
N2 Cr1 Si1 C6 -85.40(17) .
N1 Cr1 Si1 C6 74.71(16) .
P1 Cr1 Si1 C6 0.63(14) .
Cr1 Cr1 Si1 C6 163.24(14) 2_565
N2 Si1 N1 C7 100.73(18) .
C5 Si1 N1 C7 -137.12(18) .
C6 Si1 N1 C7 -24.3(2) .
Cr1 Si1 N1 C7 115.01(19) .
N2 Si1 N1 C15 -125.10(17) .
C5 Si1 N1 C15 -3.0(2) .
C6 Si1 N1 C15 109.88(18) .
Cr1 Si1 N1 C15 -110.82(18) .
N2 Si1 N1 Cr1 -14.28(9) .
C5 Si1 N1 Cr1 107.87(10) .
C6 Si1 N1 Cr1 -139.30(10) .
N2 Cr1 N1 C7 -108.98(17) .
P1 Cr1 N1 C7 -15.31(15) .
Cr1 Cr1 N1 C7 101.10(16) 2_565
Si1 Cr1 N1 C7 -121.01(18) .
N2 Cr1 N1 C15 129.53(17) .
P1 Cr1 N1 C15 -136.80(16) .
Cr1 Cr1 N1 C15 -20.38(19) 2_565
Si1 Cr1 N1 C15 117.50(19) .
N2 Cr1 N1 Si1 12.03(8) .
P1 Cr1 N1 Si1 105.70(7) .
Cr1 Cr1 N1 Si1 -137.89(6) 2_565
N1 Si1 N2 C1 178.2(2) .
C5 Si1 N2 C1 62.4(2) .
C6 Si1 N2 C1 -64.3(2) .
Cr1 Si1 N2 C1 162.6(3) .
N1 Si1 N2 Cr1 15.64(10) .
C5 Si1 N2 Cr1 -100.21(12) .
C6 Si1 N2 Cr1 133.11(12) .
N1 Cr1 N2 C1 -175.1(2) .
P1 Cr1 N2 C1 101.6(2) .
Cr1 Cr1 N2 C1 -34.9(3) 2_565
Si1 Cr1 N2 C1 -162.0(3) .
N1 Cr1 N2 Si1 -13.10(8) .
P1 Cr1 N2 Si1 -96.37(8) .
Cr1 Cr1 N2 Si1 127.13(8) 2_565
C7 N1 C15 C16 59.7(3) .
Si1 N1 C15 C16 -78.9(2) .
Cr1 N1 C15 C16 -176.62(17) .
C9 P1 C8 C7 -92.8(2) .
C10 P1 C8 C7 159.1(2) .
Cr1 P1 C8 C7 33.49(19) .
C15 N1 C7 C8 164.2(2) .
Si1 N1 C7 C8 -58.5(3) .
Cr1 N1 C7 C8 42.4(2) .
P1 C8 C7 N1 -54.1(3) .
N1 C15 C16 P2 151.69(19) .
C17 P2 C16 C15 86.2(2) .
C18 P2 C16 C15 -167.8(2) .
Si1 N2 C1 C4 -70.0(3) .
Cr1 N2 C1 C4 86.9(3) .
Si1 N2 C1 C2 170.78(18) .
Cr1 N2 C1 C2 -32.3(3) .
Si1 N2 C1 C3 51.4(3) .
Cr1 N2 C1 C3 -151.7(2) .
C16 P2 C17 C19 -76.7(2) .
C18 P2 C17 C19 178.7(2) .
C16 P2 C17 C20 163.2(2) .
C18 P2 C17 C20 58.6(2) .
C17 P2 C18 C21 175.1(2) .
C16 P2 C18 C21 69.5(2) .
C17 P2 C18 C22 47.4(3) .
C16 P2 C18 C22 -58.1(3) .
C8 P1 C9 C12 44.0(2) .
C10 P1 C9 C12 149.3(2) .
Cr1 P1 C9 C12 -62.1(2) .
C8 P1 C9 C11 166.06(18) .
C10 P1 C9 C11 -88.7(2) .
Cr1 P1 C9 C11 60.0(2) .
C8 P1 C10 C14 -179.1(2) .
C9 P1 C10 C14 71.3(2) .
Cr1 P1 C10 C14 -77.1(2) .
C8 P1 C10 C13 53.6(2) .
C9 P1 C10 C13 -56.0(2) .
Cr1 P1 C10 C13 155.68(17) .
