#------------------------------------------------------------------------------
#$Date: 2024-05-05 06:49:25 +0300 (Sun, 05 May 2024) $
#$Revision: 291674 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/31/7063100.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_7063100
loop_
_publ_author_name
'Zhang, Min'
'Dong, Yanhong'
'Li, Qingshuang'
'Li, Xiaoyan'
'Sun, Hongjian'
_publ_section_title
;
 Effects of silylene ligands on the catalytic activity of [PSiP] pincer
 cobalt(ii) chloride for N2 silylation
;
_journal_issue                   16
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7334
_journal_page_last               7339
_journal_paper_doi               10.1039/D4NJ00883A
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'C52 H54 Cl2 Co N2 P2 Si2'
_chemical_formula_sum            'C52 H54 Cl2 Co N2 P2 Si2'
_chemical_formula_weight         954.92
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2024-03-11
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-03-11 deposited with the CCDC.	2024-03-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.3770(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.8498(2)
_cell_length_b                   16.2943(2)
_cell_length_c                   18.5455(2)
_cell_measurement_reflns_used    17638
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      76.2900
_cell_measurement_theta_min      3.8920
_cell_volume                     4738.49(10)
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -119.00 -39.00   1.00    1.20    --  -48.67 -61.00  99.00   80
  2  ω    -60.00  18.00   1.00    1.20    --  -48.67  61.00-122.00   78
  3  ω    -16.00  59.00   1.00    1.20    --   48.67 -61.00  99.00   75
  4  ω     35.00  99.00   1.00    1.20    --   48.67  61.00-122.00   64
  5  ω    -52.00 -26.00   1.00    4.10    --  -91.75  61.00-122.00   26
  6  ω   -152.00 -81.00   1.00    4.10    --  -91.75 -61.00  99.00   71
  7  ω    116.00 172.00   1.00    4.10    --  106.65  61.00-122.00   56
  8  ω     34.00  70.00   1.00    4.10    --  106.65 -61.00  99.00   36
  9  ω    -33.00  -7.00   1.00    1.20    --  -48.67  57.00 150.00   26
 10  ω   -120.00 -86.00   1.00    1.20    --  -48.67-125.00  30.00   34
 11  ω   -119.00 -73.00   1.00    1.20    --  -48.67-125.00-180.00   46
 12  ω     -2.00  24.00   1.00    1.20    --  -48.67  57.00 150.00   26
 13  ω     38.00  90.00   1.00    1.20    --   48.67-125.00 -30.00   52
 14  ω   -119.00 -93.00   1.00    4.10    --  -91.75 -99.00-180.00   26
 15  ω    -56.00 -20.00   1.00    4.10    --  -91.75  77.00  60.00   36
 16  ω    -66.00 -24.00   1.00    4.10    --  -91.75  57.00   0.00   42
 17  ω    -86.00 -20.00   1.00    4.10    --  -91.75  77.00-150.00   66
 18  ω    -64.00 -20.00   1.00    4.10    --  -91.75  57.00  60.00   44
 19  ω   -102.00 -64.00   1.00    4.10    --  -91.75  77.00  60.00   38
 20  ω     35.00  65.00   1.00    4.10    --  106.65 -57.00 -90.00   30
 21  ω     41.00 101.00   1.00    4.10    --  106.65 -77.00  60.00   60
 22  ω     96.00 121.00   1.00    4.10    --  106.65 125.00-120.00   25
 23  ω    130.00 158.00   1.00    4.10    --  106.65  38.00   0.00   28
 24  ω     98.00 124.00   1.00    4.10    --  106.65  38.00   0.00   26
 25  ω     61.00  94.00   1.00    4.10    --  106.65 -99.00-150.00   33
 26  ω     66.00  92.00   1.00    4.10    --  106.65 -99.00 -60.00   26
 27  ω    144.00 169.00   1.00    4.10    --  106.65   0.00  30.00   25
 28  ω     39.00  65.00   1.00    4.10    --  106.65 -57.00-120.00   26
 29  ω     41.00 107.00   1.00    4.10    --  106.65   0.00  30.00   66
 30  ω     59.00 111.00   1.00    4.10    --  106.65-125.00-150.00   52
 31  ω     64.00  99.00   1.00    4.10    --  106.65 -99.00   0.00   35
 32  ω     40.00 117.00   1.00    4.10    --  106.65-132.00 -77.51   77
 33  ω     96.00 140.00   1.00    4.10    --  106.65  19.00-150.00   44
 34  ω    143.00 177.00   1.00    4.10    --  106.65  19.00-150.00   34
 35  ω     79.00 106.00   1.00    4.10    --  106.65 -99.00  60.00   27
 36  ω     43.00 111.00   1.00    4.10    --  106.65-125.00  90.00   68
 37  ω     40.00 105.00   1.00    4.10    --  106.65 -99.00 -90.00   65
 38  ω     71.00 103.00   1.00    4.10    --  106.65 -99.00-180.00   32
 39  ω     39.00  64.00   1.00    4.10    --  106.65 -57.00 -30.00   25
 40  ω    148.00 174.00   1.00    4.10    --  106.65 125.00-120.00   26
 41  ω     39.00  98.00   1.00    4.10    --  106.65 -99.00 -30.00   59
 42  ω     97.00 160.00   1.00    4.10    --  106.65  57.00 150.00   63
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0488955000
_diffrn_orient_matrix_UB_12      -0.0554740000
_diffrn_orient_matrix_UB_13      -0.0592568000
_diffrn_orient_matrix_UB_21      -0.0844401000
_diffrn_orient_matrix_UB_22      0.0409545000
_diffrn_orient_matrix_UB_23      0.0119631000
_diffrn_orient_matrix_UB_31      0.0115655000
_diffrn_orient_matrix_UB_32      0.0647277000
_diffrn_orient_matrix_UB_33      -0.0582474000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            30338
_diffrn_reflns_point_group_measured_fraction_full 0.893
_diffrn_reflns_point_group_measured_fraction_max 0.846
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.726
_diffrn_reflns_theta_min         3.912
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    5.287
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79238
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_description       block
_exptl_crystal_F_000             1996
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.234
_refine_diff_density_min         -0.304
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details
;
 Flack x determined using 3136 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.027(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     557
_refine_ls_number_reflns         8452
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0273
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0286P)²+2.1306P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0619
_refine_ls_wR_factor_ref         0.0626
_reflns_Friedel_coverage         0.737
_reflns_Friedel_fraction_full    0.787
_reflns_Friedel_fraction_max     0.719
_reflns_number_gt                8104
_reflns_number_total             8452
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4nj00883a2.cif
_cod_data_source_block           230407e-1_auto
_cod_depositor_comments          'Adding full bibliography for 7063100.cif.'
_cod_database_code               7063100
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         CSiNPCoCl
_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_max   0.778
_shelx_estimated_absorpt_t_min   0.620
_reflns_odcompleteness_completeness 88.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C4(H4), C14(H14), C21(H21), C28(H28), C38(H38), C22(H22),
 C27(H27), C29(H29), C10(H10), C2(H2), C23(H23), C12(H12), C36(H36), C8(H8),
 C43(H43), C41(H41), C24(H24), C37(H37), C3(H3), C42(H42), C11(H11), C9(H9),
 C30(H30), C40(H40), C31(H31), C33(H33), C35(H35), C15(H15), C16(H16), C17(H17),
  C34(H34)
2.b Idealised Me refined as rotating group:
 C47(H47A,H47B,H47C), C46(H46A,H46B,H46C), C51(H51A,H51B,H51C), C45(H45A,H45B,
 H45C), C50(H50A,H50B,H50C), C19(H19A,H19B,H19C), C49(H49A,H49B,H49C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.431
_oxdiff_exptl_absorpt_empirical_full_min 0.764
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
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
Co1 Co 0.50850(3) 0.66694(3) 0.54612(2) 0.01608(10) Uani 1 1 d . . . . .
Cl1 Cl 0.49957(5) 0.62810(4) 0.42628(4) 0.02151(14) Uani 1 1 d . . . . .
P2 P 0.38452(4) 0.64332(4) 0.59119(4) 0.01694(14) Uani 1 1 d . . . . .
P1 P 0.58389(5) 0.55799(4) 0.58731(4) 0.01740(14) Uani 1 1 d . . . . .
Cl2 Cl 0.50523(6) 0.90680(4) 0.56493(4) 0.03044(17) Uani 1 1 d . . . . .
Si2 Si 0.54946(5) 0.71659(5) 0.66026(4) 0.01857(16) Uani 1 1 d . . . . .
Si1 Si 0.50769(5) 0.79642(5) 0.50550(4) 0.01822(16) Uani 1 1 d . . . . .
N1 N 0.45066(16) 0.82975(15) 0.41667(13) 0.0191(5) Uani 1 1 d . . . . .
N2 N 0.58665(16) 0.82068(15) 0.44386(14) 0.0214(5) Uani 1 1 d . . . . .
C13 C 0.3700(2) 0.72975(17) 0.65170(16) 0.0208(6) Uani 1 1 d . . . . .
C1 C 0.28353(19) 0.62864(17) 0.52883(17) 0.0208(6) Uani 1 1 d . . . . .
C26 C 0.5636(2) 0.45611(17) 0.54572(16) 0.0205(6) Uani 1 1 d . . . . .
C20 C 0.57714(19) 0.62201(18) 0.72029(16) 0.0206(6) Uani 1 1 d . . . . .
C6 C 0.2083(2) 0.6028(2) 0.55321(18) 0.0260(7) Uani 1 1 d . . . . .
H6 H 0.207638 0.593304 0.603663 0.031 Uiso 1 1 calc R U . . .
C5 C 0.1351(2) 0.5911(2) 0.5039(2) 0.0293(7) Uani 1 1 d . . . . .
H5 H 0.084104 0.573814 0.520746 0.035 Uiso 1 1 calc R U . . .
C52 C 0.6804(2) 0.81499(19) 0.44352(18) 0.0244(6) Uani 1 1 d . . . . .
C7 C 0.37376(18) 0.55710(18) 0.65470(16) 0.0201(6) Uani 1 1 d . . . . .
C4 C 0.1353(2) 0.6041(2) 0.4307(2) 0.0323(8) Uani 1 1 d . . . . .
H4 H 0.084251 0.597234 0.397361 0.039 Uiso 1 1 calc R U . . .
C14 C 0.2923(2) 0.7586(2) 0.66796(19) 0.0301(7) Uani 1 1 d . . . . .
H14 H 0.240431 0.736122 0.643889 0.036 Uiso 1 1 calc R U . . .
C21 C 0.5854(2) 0.6221(2) 0.79652(17) 0.0243(6) Uani 1 1 d . . . . .
H21 H 0.581057 0.672377 0.821670 0.029 Uiso 1 1 calc R U . . .
C28 C 0.4702(2) 0.3653(2) 0.4676(2) 0.0317(7) Uani 1 1 d . . . . .
H28 H 0.417199 0.355354 0.437772 0.038 Uiso 1 1 calc R U . . .
C48 C 0.36416(19) 0.85681(18) 0.38504(17) 0.0212(6) Uani 1 1 d . . . . .
C47 C 0.3103(2) 0.8569(2) 0.44706(18) 0.0259(7) Uani 1 1 d . . . . .
H47A H 0.314201 0.803086 0.470918 0.039 Uiso 1 1 calc R U . . .
H47B H 0.250696 0.868400 0.427373 0.039 Uiso 1 1 calc R U . . .
H47C H 0.331480 0.899266 0.482657 0.039 Uiso 1 1 calc R U . . .
C38 C 0.5566(2) 0.9051(2) 0.27545(19) 0.0299(7) Uani 1 1 d . . . . .
H38 H 0.564570 0.955242 0.301695 0.036 Uiso 1 1 calc R U . . .
C22 C 0.5998(2) 0.5500(2) 0.83560(17) 0.0272(7) Uani 1 1 d . . . . .
H22 H 0.604284 0.551073 0.887232 0.033 Uiso 1 1 calc R U . . .
C27 C 0.4862(2) 0.44105(19) 0.50070(18) 0.0253(6) Uani 1 1 d . . . . .
H27 H 0.444406 0.483128 0.492787 0.030 Uiso 1 1 calc R U . . .
C32 C 0.69679(19) 0.56997(17) 0.57780(17) 0.0208(6) Uani 1 1 d . . . . .
C44 C 0.5235(2) 0.83168(17) 0.38823(17) 0.0202(6) Uani 1 1 d . . . . .
C39 C 0.5323(2) 0.83468(19) 0.30939(16) 0.0233(6) Uani 1 1 d . . . . .
C29 C 0.5313(2) 0.3038(2) 0.4780(2) 0.0308(7) Uani 1 1 d . . . . .
H29 H 0.520071 0.251704 0.455637 0.037 Uiso 1 1 calc R U . . .
C18 C 0.4479(2) 0.76146(18) 0.68742(16) 0.0214(6) Uani 1 1 d . . . . .
C46 C 0.3685(2) 0.94403(19) 0.3551(2) 0.0306(7) Uani 1 1 d . . . . .
H46A H 0.397373 0.979980 0.393303 0.046 Uiso 1 1 calc R U . . .
H46B H 0.310595 0.964375 0.339200 0.046 Uiso 1 1 calc R U . . .
H46C H 0.400336 0.943559 0.313572 0.046 Uiso 1 1 calc R U . . .
C10 C 0.3641(3) 0.4228(2) 0.7468(2) 0.0380(8) Uani 1 1 d . . . . .
H10 H 0.361668 0.377112 0.778249 0.046 Uiso 1 1 calc R U . . .
C2 C 0.2834(2) 0.63905(19) 0.45448(17) 0.0258(7) Uani 1 1 d . . . . .
H2 H 0.334601 0.654502 0.437002 0.031 Uiso 1 1 calc R U . . .
C23 C 0.6078(2) 0.4761(2) 0.80016(18) 0.0281(7) Uani 1 1 d . . . . .
H23 H 0.617000 0.426720 0.827332 0.034 Uiso 1 1 calc R U . . .
C25 C 0.58719(19) 0.54713(18) 0.68529(16) 0.0200(6) Uani 1 1 d . . . . .
C51 C 0.7186(2) 0.7920(2) 0.5210(2) 0.0328(8) Uani 1 1 d . . . . .
H51A H 0.705513 0.834930 0.554696 0.049 Uiso 1 1 calc R U . . .
H51B H 0.780604 0.786446 0.524038 0.049 Uiso 1 1 calc R U . . .
H51C H 0.694314 0.739744 0.534261 0.049 Uiso 1 1 calc R U . . .
C12 C 0.3583(2) 0.47800(19) 0.62604(18) 0.0255(6) Uani 1 1 d . . . . .
H12 H 0.351338 0.469765 0.574801 0.031 Uiso 1 1 calc R U . . .
C36 C 0.8030(2) 0.5835(2) 0.4975(2) 0.0314(7) Uani 1 1 d . . . . .
H36 H 0.817671 0.583357 0.449655 0.038 Uiso 1 1 calc R U . . .
C8 C 0.3832(2) 0.5675(2) 0.72965(18) 0.0266(7) Uani 1 1 d . . . . .
H8 H 0.392871 0.620799 0.749958 0.032 Uiso 1 1 calc R U . . .
C43 C 0.5691(2) 0.9017(2) 0.2030(2) 0.0385(9) Uani 1 1 d . . . . .
H43 H 0.586187 0.949591 0.179745 0.046 Uiso 1 1 calc R U . . .
C41 C 0.5310(2) 0.7595(2) 0.19747(19) 0.0335(8) Uani 1 1 d . . . . .
H41 H 0.521730 0.709937 0.170573 0.040 Uiso 1 1 calc R U . . .
C24 C 0.6022(2) 0.47473(19) 0.72463(17) 0.0243(6) Uani 1 1 d . . . . .
H24 H 0.608629 0.424465 0.700048 0.029 Uiso 1 1 calc R U . . .
C37 C 0.7194(2) 0.56959(19) 0.50808(18) 0.0253(6) Uani 1 1 d . . . . .
H37 H 0.677020 0.559649 0.467238 0.030 Uiso 1 1 calc R U . . .
C3 C 0.2097(2) 0.6272(2) 0.4055(2) 0.0333(8) Uani 1 1 d . . . . .
H3 H 0.210220 0.634908 0.354783 0.040 Uiso 1 1 calc R U . . .
C42 C 0.5568(2) 0.8291(3) 0.1645(2) 0.0381(8) Uani 1 1 d . . . . .
H42 H 0.566103 0.827129 0.115077 0.046 Uiso 1 1 calc R U . . .
C11 C 0.3532(2) 0.4115(2) 0.6723(2) 0.0340(8) Uani 1 1 d . . . . .
H11 H 0.342070 0.358184 0.652449 0.041 Uiso 1 1 calc R U . . .
C45 C 0.3242(2) 0.7996(2) 0.32413(18) 0.0296(7) Uani 1 1 d . . . . .
H45A H 0.354790 0.805018 0.282086 0.044 Uiso 1 1 calc R U . . .
H45B H 0.264197 0.814308 0.309694 0.044 Uiso 1 1 calc R U . . .
H45C H 0.328114 0.742740 0.341562 0.044 Uiso 1 1 calc R U . . .
C9 C 0.3785(2) 0.5003(2) 0.77544(19) 0.0348(8) Uani 1 1 d . . . . .
H9 H 0.385305 0.508005 0.826729 0.042 Uiso 1 1 calc R U . . .
C30 C 0.6091(2) 0.31859(19) 0.52119(19) 0.0289(7) Uani 1 1 d . . . . .
H30 H 0.651475 0.276925 0.527656 0.035 Uiso 1 1 calc R U . . .
C40 C 0.5186(2) 0.7620(2) 0.26989(18) 0.0285(7) Uani 1 1 d . . . . .
H40 H 0.500738 0.714034 0.292602 0.034 Uiso 1 1 calc R U . . .
C50 C 0.7033(2) 0.7511(2) 0.38986(19) 0.0337(8) Uani 1 1 d . . . . .
H50A H 0.672065 0.700176 0.395823 0.051 Uiso 1 1 calc R U . . .
H50B H 0.764741 0.740238 0.399164 0.051 Uiso 1 1 calc R U . . .
H50C H 0.687803 0.771531 0.340000 0.051 Uiso 1 1 calc R U . . .
C31 C 0.6249(2) 0.39419(18) 0.55487(17) 0.0239(6) Uani 1 1 d . . . . .
H31 H 0.678106 0.403864 0.584501 0.029 Uiso 1 1 calc R U . . .
C33 C 0.7599(2) 0.5850(3) 0.6371(2) 0.0379(8) Uani 1 1 d . . . . .
H33 H 0.745649 0.585540 0.685143 0.046 Uiso 1 1 calc R U . . .
C19 C 0.6397(2) 0.7888(2) 0.69319(18) 0.0289(7) Uani 1 1 d . . . . .
H19A H 0.693183 0.766417 0.680895 0.043 Uiso 1 1 calc R U . . .
H19B H 0.644239 0.795280 0.746150 0.043 Uiso 1 1 calc R U . . .
H19C H 0.628599 0.842377 0.669643 0.043 Uiso 1 1 calc R U . . .
C35 C 0.8651(2) 0.5978(3) 0.5569(2) 0.0421(9) Uani 1 1 d . . . . .
H35 H 0.922663 0.606646 0.550072 0.050 Uiso 1 1 calc R U . . .
C15 C 0.2908(3) 0.8201(2) 0.7193(2) 0.0396(9) Uani 1 1 d . . . . .
H15 H 0.237811 0.840490 0.730024 0.047 Uiso 1 1 calc R U . . .
C16 C 0.3666(3) 0.8517(2) 0.7550(2) 0.0422(9) Uani 1 1 d . . . . .
H16 H 0.365326 0.893661 0.790412 0.051 Uiso 1 1 calc R U . . .
C17 C 0.4442(2) 0.8229(2) 0.7397(2) 0.0329(7) Uani 1 1 d . . . . .
H17 H 0.495595 0.845174 0.764877 0.039 Uiso 1 1 calc R U . . .
C49 C 0.7145(2) 0.8994(2) 0.4263(2) 0.0386(9) Uani 1 1 d . . . . .
H49A H 0.691695 0.914647 0.376150 0.058 Uiso 1 1 calc R U . . .
H49B H 0.776900 0.897640 0.431846 0.058 Uiso 1 1 calc R U . . .
H49C H 0.696704 0.940126 0.460003 0.058 Uiso 1 1 calc R U . . .
C34 C 0.8427(3) 0.5989(3) 0.6260(2) 0.0530(11) Uani 1 1 d . . . . .
H34 H 0.885162 0.609482 0.666682 0.064 Uiso 1 1 calc R U . . .
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 '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'
P P 0.2955 0.4335 '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'
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
P2 Co1 Cl1 111.96(3) . . ?
P1 Co1 Cl1 93.85(3) . . ?
P1 Co1 P2 100.90(3) . . ?
P1 Co1 Si2 84.11(3) . . ?
P1 Co1 Si1 148.02(4) . . ?
Si2 Co1 Cl1 165.88(3) . . ?
Si2 Co1 P2 82.12(3) . . ?
Si1 Co1 Cl1 86.42(3) . . ?
Si1 Co1 P2 108.64(3) . . ?
Si1 Co1 Si2 87.98(3) . . ?
C13 P2 Co1 106.65(10) . . ?
C13 P2 C1 107.90(14) . . ?
C13 P2 C7 99.29(13) . . ?
C1 P2 Co1 120.46(10) . . ?
C1 P2 C7 98.50(13) . . ?
C7 P2 Co1 121.63(10) . . ?
C26 P1 Co1 121.79(10) . . ?
C32 P1 Co1 111.52(10) . . ?
C32 P1 C26 99.74(14) . . ?
C25 P1 Co1 111.01(10) . . ?
C25 P1 C26 108.00(14) . . ?
C25 P1 C32 102.71(14) . . ?
C20 Si2 Co1 105.39(10) . . ?
C18 Si2 Co1 104.24(10) . . ?
C18 Si2 C20 106.66(13) . . ?
C19 Si2 Co1 128.70(11) . . ?
C19 Si2 C20 102.45(14) . . ?
C19 Si2 C18 107.81(15) . . ?
Cl2 Si1 Co1 128.76(4) . . ?
N1 Si1 Co1 123.83(9) . . ?
N1 Si1 Cl2 99.88(9) . . ?
N1 Si1 N2 70.94(11) . . ?
N2 Si1 Co1 115.87(8) . . ?
N2 Si1 Cl2 101.84(9) . . ?
C48 N1 Si1 138.5(2) . . ?
C44 N1 Si1 91.16(18) . . ?
C44 N1 C48 129.8(2) . . ?
C52 N2 Si1 138.7(2) . . ?
C44 N2 Si1 90.46(19) . . ?
C44 N2 C52 129.6(3) . . ?
C14 C13 P2 125.8(3) . . ?
C14 C13 C18 121.1(3) . . ?
C18 C13 P2 112.9(2) . . ?
C6 C1 P2 122.5(2) . . ?
C2 C1 P2 118.7(2) . . ?
C2 C1 C6 118.7(3) . . ?
C27 C26 P1 119.5(2) . . ?
C31 C26 P1 121.7(2) . . ?
C31 C26 C27 118.7(3) . . ?
C21 C20 Si2 124.5(2) . . ?
C21 C20 C25 117.9(3) . . ?
C25 C20 Si2 117.6(2) . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.0(3) . . ?
C5 C6 H6 120.0 . . ?
C6 C5 H5 119.7 . . ?
C4 C5 C6 120.6(3) . . ?
C4 C5 H5 119.7 . . ?
N2 C52 C51 105.7(3) . . ?
N2 C52 C50 112.2(3) . . ?
N2 C52 C49 109.1(3) . . ?
C51 C52 C49 108.3(3) . . ?
C50 C52 C51 110.4(3) . . ?
C50 C52 C49 110.8(3) . . ?
C12 C7 P2 118.8(2) . . ?
C8 C7 P2 122.5(2) . . ?
C8 C7 C12 118.7(3) . . ?
C5 C4 H4 120.0 . . ?
C5 C4 C3 120.1(3) . . ?
C3 C4 H4 120.0 . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14 120.1 . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.8(3) . . ?
C22 C21 H21 119.6 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.2(3) . . ?
C29 C28 H28 119.9 . . ?
N1 C48 C47 106.8(2) . . ?
N1 C48 C46 109.4(3) . . ?
N1 C48 C45 111.8(2) . . ?
C47 C48 C46 109.4(3) . . ?
C47 C48 C45 109.9(3) . . ?
C45 C48 C46 109.5(3) . . ?
C48 C47 H47A 109.5 . . ?
C48 C47 H47B 109.5 . . ?
C48 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C39 C38 H38 120.2 . . ?
C43 C38 H38 120.2 . . ?
C43 C38 C39 119.6(3) . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.6(3) . . ?
C23 C22 H22 119.7 . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.5(3) . . ?
C28 C27 H27 119.7 . . ?
C37 C32 P1 118.4(2) . . ?
C37 C32 C33 118.8(3) . . ?
C33 C32 P1 122.7(3) . . ?
N1 C44 N2 106.5(3) . . ?
N1 C44 C39 126.6(3) . . ?
N2 C44 C39 126.5(3) . . ?
C38 C39 C44 122.9(3) . . ?
C38 C39 C40 119.7(3) . . ?
C40 C39 C44 117.3(3) . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.8(3) . . ?
C30 C29 H29 120.1 . . ?
C13 C18 Si2 116.8(2) . . ?
C17 C18 Si2 125.5(3) . . ?
C17 C18 C13 117.7(3) . . ?
C48 C46 H46A 109.5 . . ?
C48 C46 H46B 109.5 . . ?
C48 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.9(3) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.8(3) . . ?
C3 C2 H2 119.6 . . ?
C22 C23 H23 120.2 . . ?
C22 C23 C24 119.7(3) . . ?
C24 C23 H23 120.2 . . ?
C20 C25 P1 112.9(2) . . ?
C24 C25 P1 125.8(2) . . ?
C24 C25 C20 121.2(3) . . ?
C52 C51 H51A 109.5 . . ?
C52 C51 H51B 109.5 . . ?
C52 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C7 C12 H12 119.8 . . ?
C11 C12 C7 120.3(3) . . ?
C11 C12 H12 119.8 . . ?
C37 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C35 C36 C37 119.9(3) . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.4(3) . . ?
C9 C8 H8 119.8 . . ?
C38 C43 H43 119.8 . . ?
C42 C43 C38 120.4(3) . . ?
C42 C43 H43 119.8 . . ?
C42 C41 H41 120.0 . . ?
C42 C41 C40 120.0(3) . . ?
C40 C41 H41 120.0 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.7(3) . . ?
C25 C24 H24 120.1 . . ?
C32 C37 H37 119.6 . . ?
C36 C37 C32 120.8(3) . . ?
C36 C37 H37 119.6 . . ?
C4 C3 C2 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C43 C42 H42 119.9 . . ?
C41 C42 C43 120.3(3) . . ?
C41 C42 H42 119.9 . . ?
C10 C11 C12 120.2(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C48 C45 H45A 109.5 . . ?
C48 C45 H45B 109.5 . . ?
C48 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C10 C9 C8 120.4(3) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0(3) . . ?
C31 C30 H30 120.0 . . ?
C39 C40 H40 120.0 . . ?
C41 C40 C39 120.0(3) . . ?
C41 C40 H40 120.0 . . ?
C52 C50 H50A 109.5 . . ?
C52 C50 H50B 109.5 . . ?
C52 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C26 C31 H31 119.6 . . ?
C30 C31 C26 120.7(3) . . ?
C30 C31 H31 119.6 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0(4) . . ?
C34 C33 H33 120.0 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C36 C35 H35 120.3 . . ?
C34 C35 C36 119.4(4) . . ?
C34 C35 H35 120.3 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.8(3) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 119.6 . . ?
C15 C16 C17 120.8(3) . . ?
C17 C16 H16 119.6 . . ?
C18 C17 H17 119.6 . . ?
C16 C17 C18 120.8(3) . . ?
C16 C17 H17 119.6 . . ?
C52 C49 H49A 109.5 . . ?
C52 C49 H49B 109.5 . . ?
C52 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C33 C34 C35 121.1(4) . . ?
C33 C34 H34 119.4 . . ?
C35 C34 H34 119.4 . . ?
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
Co1 Cl1 2.2953(8) . ?
Co1 P2 2.2776(8) . ?
Co1 P1 2.2128(8) . ?
Co1 Si2 2.2707(9) . ?
Co1 Si1 2.2396(8) . ?
P2 C13 1.836(3) . ?
P2 C1 1.849(3) . ?
P2 C7 1.857(3) . ?
P1 C26 1.839(3) . ?
P1 C32 1.834(3) . ?
P1 C25 1.819(3) . ?
Cl2 Si1 2.1128(11) . ?
Si2 C20 1.914(3) . ?
Si2 C18 1.901(3) . ?
Si2 C19 1.884(3) . ?
Si1 N1 1.842(3) . ?
Si1 N2 1.856(3) . ?
N1 C48 1.478(4) . ?
N1 C44 1.338(4) . ?
N2 C52 1.490(4) . ?
N2 C44 1.340(4) . ?
C13 C14 1.391(4) . ?
C13 C18 1.412(4) . ?
C1 C6 1.400(4) . ?
C1 C2 1.389(4) . ?
C26 C27 1.401(4) . ?
C26 C31 1.394(4) . ?
C20 C21 1.401(4) . ?
C20 C25 1.402(4) . ?
C6 H6 0.9500 . ?
C6 C5 1.383(5) . ?
C5 H5 0.9500 . ?
C5 C4 1.375(5) . ?
C52 C51 1.523(5) . ?
C52 C50 1.521(5) . ?
C52 C49 1.528(5) . ?
C7 C12 1.402(4) . ?
C7 C8 1.387(4) . ?
C4 H4 0.9500 . ?
C4 C3 1.382(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.385(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.382(5) . ?
C28 H28 0.9500 . ?
C28 C27 1.386(5) . ?
C28 C29 1.387(5) . ?
C48 C47 1.529(4) . ?
C48 C46 1.531(4) . ?
C48 C45 1.529(5) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C38 H38 0.9500 . ?
C38 C39 1.390(5) . ?
C38 C43 1.388(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.386(5) . ?
C27 H27 0.9500 . ?
C32 C37 1.391(4) . ?
C32 C33 1.396(5) . ?
C44 C39 1.489(4) . ?
C39 C40 1.393(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.390(5) . ?
C18 C17 1.401(4) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C10 H10 0.9500 . ?
C10 C11 1.380(6) . ?
C10 C9 1.376(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.386(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.391(5) . ?
C25 C24 1.389(4) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C12 H12 0.9500 . ?
C12 C11 1.391(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.386(5) . ?
C36 C35 1.386(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.395(5) . ?
C43 H43 0.9500 . ?
C43 C42 1.381(6) . ?
C41 H41 0.9500 . ?
C41 C42 1.378(6) . ?
C41 C40 1.386(5) . ?
C24 H24 0.9500 . ?
C37 H37 0.9500 . ?
C3 H3 0.9500 . ?
C42 H42 0.9500 . ?
C11 H11 0.9500 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C9 H9 0.9500 . ?
C30 H30 0.9500 . ?
C30 C31 1.387(5) . ?
C40 H40 0.9500 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C31 H31 0.9500 . ?
C33 H33 0.9500 . ?
C33 C34 1.377(6) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C35 H35 0.9500 . ?
C35 C34 1.379(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.384(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.384(6) . ?
C17 H17 0.9500 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C34 H34 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 P2 C13 C14 153.1(3) . . . . ?
Co1 P2 C13 C18 -32.6(2) . . . . ?
Co1 P2 C1 C6 170.9(2) . . . . ?
Co1 P2 C1 C2 -5.3(3) . . . . ?
Co1 P2 C7 C12 -80.4(3) . . . . ?
Co1 P2 C7 C8 97.4(3) . . . . ?
Co1 P1 C26 C27 -17.3(3) . . . . ?
Co1 P1 C26 C31 159.6(2) . . . . ?
Co1 P1 C32 C37 -69.0(2) . . . . ?
Co1 P1 C32 C33 106.5(3) . . . . ?
Co1 P1 C25 C20 -26.4(2) . . . . ?
Co1 P1 C25 C24 156.7(2) . . . . ?
Co1 Si1 N1 C48 85.5(3) . . . . ?
Co1 Si1 N1 C44 -102.55(17) . . . . ?
Co1 Si1 N2 C52 -54.8(3) . . . . ?
Co1 Si1 N2 C44 112.79(16) . . . . ?
P2 C13 C14 C15 174.6(3) . . . . ?
P2 C13 C18 Si2 5.3(3) . . . . ?
P2 C13 C18 C17 -174.6(2) . . . . ?
P2 C1 C6 C5 -178.6(2) . . . . ?
P2 C1 C2 C3 178.8(3) . . . . ?
P2 C7 C12 C11 177.5(3) . . . . ?
P2 C7 C8 C9 -177.0(3) . . . . ?
P1 C26 C27 C28 178.7(3) . . . . ?
P1 C26 C31 C30 -178.1(2) . . . . ?
P1 C32 C37 C36 175.9(2) . . . . ?
P1 C32 C33 C34 -175.6(3) . . . . ?
P1 C25 C24 C23 176.3(2) . . . . ?
Cl2 Si1 N1 C48 -66.3(3) . . . . ?
Cl2 Si1 N1 C44 105.59(16) . . . . ?
Cl2 Si1 N2 C52 89.6(3) . . . . ?
Cl2 Si1 N2 C44 -102.85(16) . . . . ?
Si2 C20 C21 C22 175.5(2) . . . . ?
Si2 C20 C25 P1 6.9(3) . . . . ?
Si2 C20 C25 C24 -176.1(2) . . . . ?
Si2 C18 C17 C16 179.5(3) . . . . ?
Si1 N1 C48 C47 1.1(4) . . . . ?
Si1 N1 C48 C46 119.4(3) . . . . ?
Si1 N1 C48 C45 -119.1(3) . . . . ?
Si1 N1 C44 N2 -8.7(2) . . . . ?
Si1 N1 C44 C39 164.2(3) . . . . ?
Si1 N2 C52 C51 -9.4(4) . . . . ?
Si1 N2 C52 C50 111.0(3) . . . . ?
Si1 N2 C52 C49 -125.7(3) . . . . ?
Si1 N2 C44 N1 8.6(2) . . . . ?
Si1 N2 C44 C39 -164.3(3) . . . . ?
N1 Si1 N2 C52 -173.9(3) . . . . ?
N1 Si1 N2 C44 -6.36(17) . . . . ?
N1 C44 C39 C38 106.0(4) . . . . ?
N1 C44 C39 C40 -76.7(4) . . . . ?
N2 Si1 N1 C48 -165.5(3) . . . . ?
N2 Si1 N1 C44 6.37(17) . . . . ?
N2 C44 C39 C38 -82.4(4) . . . . ?
N2 C44 C39 C40 94.8(4) . . . . ?
C13 P2 C1 C6 -66.5(3) . . . . ?
C13 P2 C1 C2 117.3(2) . . . . ?
C13 P2 C7 C12 163.4(2) . . . . ?
C13 P2 C7 C8 -18.8(3) . . . . ?
C13 C14 C15 C16 -0.9(6) . . . . ?
C13 C18 C17 C16 -0.5(5) . . . . ?
C1 P2 C13 C14 22.4(3) . . . . ?
C1 P2 C13 C18 -163.4(2) . . . . ?
C1 P2 C7 C12 53.5(3) . . . . ?
C1 P2 C7 C8 -128.6(3) . . . . ?
C1 C6 C5 C4 0.4(5) . . . . ?
C1 C2 C3 C4 -0.5(5) . . . . ?
C26 P1 C32 C37 60.9(3) . . . . ?
C26 P1 C32 C33 -123.5(3) . . . . ?
C26 P1 C25 C20 -162.3(2) . . . . ?
C26 P1 C25 C24 20.8(3) . . . . ?
C20 C21 C22 C23 1.1(5) . . . . ?
C20 C25 C24 C23 -0.3(5) . . . . ?
C6 C1 C2 C3 2.4(5) . . . . ?
C6 C5 C4 C3 1.6(5) . . . . ?
C5 C4 C3 C2 -1.6(5) . . . . ?
C52 N2 C44 N1 178.0(3) . . . . ?
C52 N2 C44 C39 5.1(5) . . . . ?
C7 P2 C13 C14 -79.7(3) . . . . ?
C7 P2 C13 C18 94.5(2) . . . . ?
C7 P2 C1 C6 36.2(3) . . . . ?
C7 P2 C1 C2 -140.0(2) . . . . ?
C7 C12 C11 C10 -0.7(5) . . . . ?
C7 C8 C9 C10 -0.3(6) . . . . ?
C14 C13 C18 Si2 179.9(2) . . . . ?
C14 C13 C18 C17 -0.1(5) . . . . ?
C14 C15 C16 C17 0.4(6) . . . . ?
C21 C20 C25 P1 -175.0(2) . . . . ?
C21 C20 C25 C24 2.0(4) . . . . ?
C21 C22 C23 C24 0.7(5) . . . . ?
C28 C29 C30 C31 1.1(5) . . . . ?
C48 N1 C44 N2 164.3(3) . . . . ?
C48 N1 C44 C39 -22.8(5) . . . . ?
C38 C39 C40 C41 1.4(5) . . . . ?
C38 C43 C42 C41 0.7(6) . . . . ?
C22 C23 C24 C25 -1.1(5) . . . . ?
C27 C26 C31 C30 -1.2(5) . . . . ?
C27 C28 C29 C30 -0.5(5) . . . . ?
C32 P1 C26 C27 -140.3(3) . . . . ?
C32 P1 C26 C31 36.6(3) . . . . ?
C32 P1 C25 C20 92.8(2) . . . . ?
C32 P1 C25 C24 -84.0(3) . . . . ?
C32 C33 C34 C35 -0.5(7) . . . . ?
C44 N1 C48 C47 -168.3(3) . . . . ?
C44 N1 C48 C46 -50.0(4) . . . . ?
C44 N1 C48 C45 71.5(4) . . . . ?
C44 N2 C52 C51 -173.2(3) . . . . ?
C44 N2 C52 C50 -52.8(4) . . . . ?
C44 N2 C52 C49 70.5(4) . . . . ?
C44 C39 C40 C41 -176.0(3) . . . . ?
C39 C38 C43 C42 0.6(5) . . . . ?
C29 C28 C27 C26 -0.9(5) . . . . ?
C29 C30 C31 C26 -0.3(5) . . . . ?
C18 C13 C14 C15 0.8(5) . . . . ?
C2 C1 C6 C5 -2.4(4) . . . . ?
C25 P1 C26 C27 112.8(3) . . . . ?
C25 P1 C26 C31 -70.3(3) . . . . ?
C25 P1 C32 C37 172.0(2) . . . . ?
C25 P1 C32 C33 -12.4(3) . . . . ?
C25 C20 C21 C22 -2.4(5) . . . . ?
C12 C7 C8 C9 0.9(5) . . . . ?
C36 C35 C34 C33 1.0(7) . . . . ?
C8 C7 C12 C11 -0.4(5) . . . . ?
C43 C38 C39 C44 175.6(3) . . . . ?
C43 C38 C39 C40 -1.6(5) . . . . ?
C37 C32 C33 C34 -0.1(6) . . . . ?
C37 C36 C35 C34 -0.8(6) . . . . ?
C42 C41 C40 C39 -0.1(5) . . . . ?
C11 C10 C9 C8 -0.8(6) . . . . ?
C9 C10 C11 C12 1.3(6) . . . . ?
C40 C41 C42 C43 -1.0(6) . . . . ?
C31 C26 C27 C28 1.8(5) . . . . ?
C33 C32 C37 C36 0.2(5) . . . . ?
C35 C36 C37 C32 0.3(5) . . . . ?
C15 C16 C17 C18 0.3(6) . . . . ?
