#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:37:47 +0100 (vie 25 de mar de 2016) $
#$Revision: 179757 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/53/7005317.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_7005317
loop_
_publ_author_name
'Bowen, Lucy E.'
'Haddow, Mairi F.'
'Orpen, A. Guy'
'Wass, Duncan F.'
_publ_section_title
;
 One electron oxidation of chromium N,N-bis(diarylphosphino)amine and
 bis(diarylphosphino)methane complexes relevant to ethene trimerisation
 and tetramerisation.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1160
_journal_page_last               1168
_journal_paper_doi               10.1039/b700559h
_journal_year                    2007
_chemical_formula_moiety         'C31 H27 Cr N O4 P2'
_chemical_formula_sum            'C31 H27 Cr N O4 P2'
_chemical_formula_weight         591.48
_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                90.51(3)
_cell_angle_beta                 106.82(3)
_cell_angle_gamma                95.17(3)
_cell_formula_units_Z            4
_cell_length_a                   10.795(2)
_cell_length_b                   15.430(3)
_cell_length_c                   17.984(4)
_cell_measurement_reflns_used    5825
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.197
_cell_measurement_theta_min      3.307
_cell_volume                     2853.8(11)
_computing_cell_refinement       'Bruker SMART V5.054 (Bruker, 1998)'
_computing_data_collection       'Bruker SMART V5.054 (Bruker, 1998)'
_computing_data_reduction        'Bruker SAINT V6.0 (Bruker, 1998)'
_computing_molecular_graphics    'Bruker SHELXTL V6.1 (Bruker AXS, 2000)'
_computing_publication_material  'Bruker SHELXTL V6.1 (Bruker AXS, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.5
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega 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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0574
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            32614
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.18
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.550
_exptl_absorpt_correction_T_max  0.990000
_exptl_absorpt_correction_T_min  0.877023
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.1'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.551
_refine_diff_density_min         -0.350
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.370
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     707
_refine_ls_number_reflns         13018
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.370
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0515
_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)+(0.0346P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                10688
_reflns_number_total             13018
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b700559h.txt
_cod_data_source_block           lb047sad
_cod_original_cell_volume        2853.7(10)
_cod_database_code               7005317
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cr1 Cr 0.74546(4) 0.77979(2) 0.38335(2) 0.01106(10) Uani 1 1 d . . .
Cr2 Cr 0.12415(4) 0.29378(2) 0.11749(2) 0.01037(10) Uani 1 1 d . . .
P1 P 0.66853(6) 0.65141(4) 0.30592(4) 0.01142(14) Uani 1 1 d . . .
P2 P 0.53841(6) 0.78846(4) 0.29608(4) 0.01006(13) Uani 1 1 d . . .
P3 P 0.13553(6) 0.16773(4) 0.19080(4) 0.01034(13) Uani 1 1 d . . .
P4 P 0.00631(6) 0.29842(4) 0.20739(3) 0.00986(13) Uani 1 1 d . . .
N1 N 0.51589(19) 0.68194(13) 0.26354(11) 0.0118(4) Uani 1 1 d . . .
N2 N 0.04765(19) 0.20179(12) 0.24929(11) 0.0105(4) Uani 1 1 d . . .
O1 O 0.61896(17) 0.71029(12) 0.50354(10) 0.0196(4) Uani 1 1 d . . .
O2 O 0.92432(19) 0.87927(13) 0.30442(11) 0.0298(5) Uani 1 1 d . . .
O3 O 0.7591(2) 0.95742(13) 0.45812(12) 0.0303(5) Uani 1 1 d . . .
O4 O 0.99524(19) 0.72359(15) 0.48843(12) 0.0346(5) Uani 1 1 d . . .
O5 O -0.09101(17) 0.24747(12) -0.03214(10) 0.0205(4) Uani 1 1 d . . .
O6 O 0.36097(17) 0.38408(12) 0.23622(11) 0.0238(4) Uani 1 1 d . . .
O7 O 0.09956(19) 0.47905(12) 0.06913(11) 0.0252(5) Uani 1 1 d . . .
O8 O 0.29132(18) 0.23859(14) 0.02051(11) 0.0293(5) Uani 1 1 d . . .
C1 C 0.6633(2) 0.73479(16) 0.45560(14) 0.0140(5) Uani 1 1 d . . .
C2 C 0.8513(3) 0.83841(17) 0.32858(15) 0.0183(6) Uani 1 1 d . . .
C3 C 0.7546(3) 0.88893(17) 0.43074(15) 0.0175(6) Uani 1 1 d . . .
C4 C 0.8992(3) 0.74486(18) 0.44792(15) 0.0195(6) Uani 1 1 d . . .
C5 C 0.4151(2) 0.63377(16) 0.19677(14) 0.0163(5) Uani 1 1 d . . .
H5 H 0.4306 0.5709 0.2015 0.020 Uiso 1 1 calc R . .
C6 C 0.4260(3) 0.65995(18) 0.11668(14) 0.0214(6) Uani 1 1 d . . .
H6A H 0.3922 0.7166 0.1044 0.032 Uiso 1 1 calc R . .
H6B H 0.3753 0.6161 0.0772 0.032 Uiso 1 1 calc R . .
H6C H 0.5174 0.6639 0.1172 0.032 Uiso 1 1 calc R . .
C7 C 0.2781(3) 0.63996(18) 0.20146(16) 0.0227(6) Uani 1 1 d . . .
H7A H 0.2686 0.6129 0.2488 0.034 Uiso 1 1 calc R . .
H7B H 0.2156 0.6097 0.1559 0.034 Uiso 1 1 calc R . .
H7C H 0.2617 0.7013 0.2026 0.034 Uiso 1 1 calc R . .
C8 C 0.6458(2) 0.54968(16) 0.35308(13) 0.0132(5) Uani 1 1 d . . .
C9 C 0.7479(3) 0.49673(16) 0.37361(14) 0.0169(5) Uani 1 1 d . . .
H9 H 0.8257 0.5122 0.3602 0.020 Uiso 1 1 calc R . .
C10 C 0.7356(3) 0.42119(17) 0.41375(14) 0.0196(6) Uani 1 1 d . . .
H10 H 0.8050 0.3851 0.4276 0.024 Uiso 1 1 calc R . .
C11 C 0.6223(3) 0.39848(17) 0.43360(14) 0.0202(6) Uani 1 1 d . . .
H11 H 0.6143 0.3469 0.4610 0.024 Uiso 1 1 calc R . .
C12 C 0.5209(3) 0.45067(17) 0.41359(15) 0.0205(6) Uani 1 1 d . . .
H12 H 0.4432 0.4349 0.4271 0.025 Uiso 1 1 calc R . .
C13 C 0.5328(3) 0.52641(17) 0.37351(14) 0.0165(5) Uani 1 1 d . . .
H13 H 0.4633 0.5624 0.3601 0.020 Uiso 1 1 calc R . .
C14 C 0.7268(3) 0.61396(17) 0.22615(14) 0.0172(6) Uani 1 1 d . . .
C15 C 0.8163(3) 0.66686(18) 0.20027(16) 0.0234(6) Uani 1 1 d . . .
H15 H 0.8518 0.7212 0.2264 0.028 Uiso 1 1 calc R . .
C16 C 0.8541(3) 0.6407(2) 0.13645(17) 0.0323(8) Uani 1 1 d . . .
H16 H 0.9161 0.6767 0.1196 0.039 Uiso 1 1 calc R . .
C17 C 0.8013(3) 0.5622(2) 0.09764(17) 0.0369(8) Uani 1 1 d . . .
H17 H 0.8257 0.5450 0.0534 0.044 Uiso 1 1 calc R . .
C18 C 0.7127(3) 0.5083(2) 0.12290(16) 0.0294(7) Uani 1 1 d . . .
H18 H 0.6771 0.4542 0.0963 0.035 Uiso 1 1 calc R . .
C19 C 0.6764(3) 0.53370(17) 0.18727(15) 0.0206(6) Uani 1 1 d . . .
H19 H 0.6168 0.4963 0.2050 0.025 Uiso 1 1 calc R . .
C20 C 0.4159(2) 0.81414(15) 0.34277(13) 0.0114(5) Uani 1 1 d . . .
C21 C 0.3398(2) 0.75269(17) 0.37053(14) 0.0168(5) Uani 1 1 d . . .
H21 H 0.3435 0.6925 0.3608 0.020 Uiso 1 1 calc R . .
C22 C 0.2586(3) 0.77809(18) 0.41218(15) 0.0206(6) Uani 1 1 d . . .
H22 H 0.2056 0.7353 0.4297 0.025 Uiso 1 1 calc R . .
C23 C 0.2543(3) 0.86567(18) 0.42854(15) 0.0204(6) Uani 1 1 d . . .
H23 H 0.1980 0.8830 0.4567 0.024 Uiso 1 1 calc R . .
C24 C 0.3327(3) 0.92735(18) 0.40346(15) 0.0206(6) Uani 1 1 d . . .
H24 H 0.3320 0.9873 0.4157 0.025 Uiso 1 1 calc R . .
C25 C 0.4125(2) 0.90221(16) 0.36048(14) 0.0152(5) Uani 1 1 d . . .
H25 H 0.4652 0.9452 0.3430 0.018 Uiso 1 1 calc R . .
C26 C 0.4978(2) 0.85080(15) 0.20778(14) 0.0114(5) Uani 1 1 d . . .
C27 C 0.3720(2) 0.87300(16) 0.17311(14) 0.0142(5) Uani 1 1 d . . .
H27 H 0.3084 0.8641 0.2000 0.017 Uiso 1 1 calc R . .
C28 C 0.3386(2) 0.90787(16) 0.10009(14) 0.0156(5) Uani 1 1 d . . .
H28 H 0.2524 0.9225 0.0773 0.019 Uiso 1 1 calc R . .
C29 C 0.4305(3) 0.92145(17) 0.06037(15) 0.0207(6) Uani 1 1 d . . .
H29 H 0.4072 0.9441 0.0098 0.025 Uiso 1 1 calc R . .
C30 C 0.5569(3) 0.90171(19) 0.09485(16) 0.0234(6) Uani 1 1 d . . .
H30 H 0.6206 0.9120 0.0681 0.028 Uiso 1 1 calc R . .
C31 C 0.5906(3) 0.86705(17) 0.16802(15) 0.0181(6) Uani 1 1 d . . .
H31 H 0.6775 0.8542 0.1913 0.022 Uiso 1 1 calc R . .
C32 C -0.0144(2) 0.26079(16) 0.02772(14) 0.0135(5) Uani 1 1 d . . .
C33 C 0.2716(2) 0.34624(16) 0.19346(14) 0.0145(5) Uani 1 1 d . . .
C34 C 0.1069(2) 0.40739(17) 0.08548(14) 0.0160(5) Uani 1 1 d . . .
C35 C 0.2292(2) 0.26096(18) 0.05820(14) 0.0176(6) Uani 1 1 d . . .
C36 C -0.0183(2) 0.15459(17) 0.30200(14) 0.0158(5) Uani 1 1 d . . .
H36 H -0.0519 0.2002 0.3288 0.019 Uiso 1 1 calc R . .
C37 C 0.0749(3) 0.10855(18) 0.36572(15) 0.0224(6) Uani 1 1 d . . .
H37A H 0.1138 0.0647 0.3423 0.034 Uiso 1 1 calc R . .
H37B H 0.0274 0.0801 0.3992 0.034 Uiso 1 1 calc R . .
H37C H 0.1436 0.1512 0.3968 0.034 Uiso 1 1 calc R . .
C38 C -0.1369(2) 0.09286(17) 0.25866(15) 0.0193(6) Uani 1 1 d . . .
H38A H -0.1933 0.1236 0.2165 0.029 Uiso 1 1 calc R . .
H38B H -0.1852 0.0729 0.2948 0.029 Uiso 1 1 calc R . .
H38C H -0.1080 0.0426 0.2369 0.029 Uiso 1 1 calc R . .
C39 C 0.0643(2) 0.05756(16) 0.15441(14) 0.0121(5) Uani 1 1 d . . .
C40 C 0.1054(2) -0.01580(16) 0.19482(14) 0.0138(5) Uani 1 1 d . . .
H40 H 0.1787 -0.0101 0.2397 0.017 Uiso 1 1 calc R . .
C41 C 0.0402(2) -0.09746(16) 0.17019(15) 0.0165(5) Uani 1 1 d . . .
H41 H 0.0686 -0.1475 0.1982 0.020 Uiso 1 1 calc R . .
C42 C -0.0669(3) -0.10557(17) 0.10427(15) 0.0191(6) Uani 1 1 d . . .
H42 H -0.1127 -0.1612 0.0878 0.023 Uiso 1 1 calc R . .
C43 C -0.1068(3) -0.03334(17) 0.06282(15) 0.0191(6) Uani 1 1 d . . .
H43 H -0.1790 -0.0393 0.0173 0.023 Uiso 1 1 calc R . .
C44 C -0.0410(2) 0.04832(17) 0.08775(14) 0.0158(5) Uani 1 1 d . . .
H44 H -0.0683 0.0980 0.0590 0.019 Uiso 1 1 calc R . .
C45 C 0.2982(2) 0.14821(15) 0.25048(14) 0.0123(5) Uani 1 1 d . . .
C46 C 0.3524(2) 0.18197(17) 0.32591(15) 0.0176(6) Uani 1 1 d . . .
H46 H 0.3026 0.2146 0.3496 0.021 Uiso 1 1 calc R . .
C47 C 0.4793(2) 0.16827(17) 0.36699(16) 0.0200(6) Uani 1 1 d . . .
H47 H 0.5146 0.1900 0.4192 0.024 Uiso 1 1 calc R . .
C48 C 0.5540(2) 0.12334(17) 0.33232(16) 0.0201(6) Uani 1 1 d . . .
H48 H 0.6403 0.1136 0.3607 0.024 Uiso 1 1 calc R . .
C49 C 0.5026(2) 0.09235(16) 0.25584(16) 0.0188(6) Uani 1 1 d . . .
H49 H 0.5548 0.0631 0.2312 0.023 Uiso 1 1 calc R . .
C50 C 0.3754(2) 0.10407(16) 0.21550(15) 0.0156(5) Uani 1 1 d . . .
H50 H 0.3403 0.0819 0.1635 0.019 Uiso 1 1 calc R . .
C51 C -0.1699(2) 0.29505(15) 0.18609(14) 0.0115(5) Uani 1 1 d . . .
C52 C -0.2512(2) 0.26523(16) 0.11345(14) 0.0159(5) Uani 1 1 d . . .
H52 H -0.2144 0.2501 0.0737 0.019 Uiso 1 1 calc R . .
C53 C -0.3851(2) 0.25746(17) 0.09864(15) 0.0193(6) Uani 1 1 d . . .
H53 H -0.4397 0.2374 0.0488 0.023 Uiso 1 1 calc R . .
C54 C -0.4394(2) 0.27922(18) 0.15709(15) 0.0195(6) Uani 1 1 d . . .
H54 H -0.5311 0.2734 0.1473 0.023 Uiso 1 1 calc R . .
C55 C -0.3590(2) 0.30939(16) 0.22961(15) 0.0163(5) Uani 1 1 d . . .
H55 H -0.3959 0.3243 0.2694 0.020 Uiso 1 1 calc R . .
C56 C -0.2259(2) 0.31764(15) 0.24380(14) 0.0125(5) Uani 1 1 d . . .
H56 H -0.1715 0.3389 0.2933 0.015 Uiso 1 1 calc R . .
C57 C 0.0590(2) 0.38395(15) 0.28336(13) 0.0106(5) Uani 1 1 d . . .
C58 C 0.0329(2) 0.46821(16) 0.26062(14) 0.0154(5) Uani 1 1 d . . .
H58 H -0.0105 0.4782 0.2078 0.018 Uiso 1 1 calc R . .
C59 C 0.0699(2) 0.53751(17) 0.31466(15) 0.0176(6) Uani 1 1 d . . .
H59 H 0.0519 0.5948 0.2989 0.021 Uiso 1 1 calc R . .
C60 C 0.1332(3) 0.52283(17) 0.39148(15) 0.0205(6) Uani 1 1 d . . .
H60 H 0.1574 0.5701 0.4287 0.025 Uiso 1 1 calc R . .
C61 C 0.1613(3) 0.43977(18) 0.41441(15) 0.0228(6) Uani 1 1 d . . .
H61 H 0.2060 0.4302 0.4671 0.027 Uiso 1 1 calc R . .
C62 C 0.1241(2) 0.37015(17) 0.36038(14) 0.0166(5) Uani 1 1 d . . .
H62 H 0.1434 0.3131 0.3762 0.020 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
C4 Cr1 C3 97.59(12) . . ?
C4 Cr1 C1 87.38(11) . . ?
C3 Cr1 C1 87.40(11) . . ?
C4 Cr1 C2 85.74(11) . . ?
C3 Cr1 C2 83.98(12) . . ?
C1 Cr1 C2 168.16(11) . . ?
C4 Cr1 P2 166.46(9) . . ?
C3 Cr1 P2 94.95(9) . . ?
C1 Cr1 P2 88.09(8) . . ?
C2 Cr1 P2 100.70(9) . . ?
C4 Cr1 P1 99.35(9) . . ?
C3 Cr1 P1 162.55(9) . . ?
C1 Cr1 P1 89.20(8) . . ?
C2 Cr1 P1 101.41(8) . . ?
P2 Cr1 P1 67.82(4) . . yes
C34 Cr2 C35 98.75(12) . . ?
C34 Cr2 C33 83.10(11) . . ?
C35 Cr2 C33 90.26(11) . . ?
C34 Cr2 C32 86.24(11) . . ?
C35 Cr2 C32 84.71(11) . . ?
C33 Cr2 C32 167.39(11) . . ?
C34 Cr2 P4 96.84(8) . . ?
C35 Cr2 P4 164.20(9) . . ?
C33 Cr2 P4 89.08(8) . . ?
C32 Cr2 P4 98.89(8) . . ?
C34 Cr2 P3 163.13(8) . . ?
C35 Cr2 P3 96.34(9) . . ?
C33 Cr2 P3 89.35(8) . . ?
C32 Cr2 P3 102.67(8) . . ?
P4 Cr2 P3 67.87(3) . . ?
N1 P1 C8 106.14(11) . . yes
N1 P1 C14 106.09(11) . . yes
C8 P1 C14 101.39(12) . . yes
N1 P1 Cr1 95.45(8) . . yes
C8 P1 Cr1 118.90(8) . . ?
C14 P1 Cr1 126.49(9) . . ?
N1 P2 C26 104.69(10) . . yes
N1 P2 C20 111.73(11) . . yes
C26 P2 C20 102.88(11) . . yes
N1 P2 Cr1 95.76(8) . . yes
C26 P2 Cr1 127.16(9) . . ?
C20 P2 Cr1 113.84(8) . . ?
N2 P3 C45 109.51(11) . . yes
N2 P3 C39 106.41(10) . . yes
C45 P3 C39 102.18(11) . . yes
N2 P3 Cr2 95.87(7) . . yes
C45 P3 Cr2 115.38(8) . . ?
C39 P3 Cr2 126.39(8) . . ?
N2 P4 C57 107.78(11) . . yes
N2 P4 C51 105.85(11) . . yes
C57 P4 C51 100.83(11) . . yes
N2 P4 Cr2 96.60(7) . . yes
C57 P4 Cr2 117.26(8) . . ?
C51 P4 Cr2 126.87(8) . . ?
C5 N1 P2 131.96(17) . . ?
C5 N1 P1 125.10(16) . . ?
P2 N1 P1 99.86(11) . . ?
C36 N2 P3 132.65(16) . . ?
C36 N2 P4 124.82(16) . . ?
P3 N2 P4 99.44(11) . . ?
O1 C1 Cr1 175.6(2) . . ?
O2 C2 Cr1 171.1(2) . . ?
O3 C3 Cr1 178.1(2) . . ?
O4 C4 Cr1 179.6(3) . . ?
N1 C5 C7 112.2(2) . . ?
N1 C5 C6 113.8(2) . . ?
C7 C5 C6 110.7(2) . . ?
N1 C5 H5 106.5 . . ?
C7 C5 H5 106.5 . . ?
C6 C5 H5 106.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C13 C8 C9 119.4(2) . . ?
C13 C8 P1 121.6(2) . . ?
C9 C8 P1 118.91(19) . . ?
C10 C9 C8 120.0(3) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C11 C10 C9 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C12 C11 C10 120.2(2) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 119.9(3) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C8 C13 C12 120.5(3) . . ?
C8 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C15 C14 C19 118.9(2) . . ?
C15 C14 P1 120.6(2) . . ?
C19 C14 P1 120.4(2) . . ?
C16 C15 C14 120.6(3) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C17 C16 C15 119.9(3) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.4(3) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C19 C18 C17 119.8(3) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C19 C14 120.5(3) . . ?
C18 C19 H19 119.8 . . ?
C14 C19 H19 119.8 . . ?
C21 C20 C25 118.4(2) . . ?
C21 C20 P2 124.62(19) . . ?
C25 C20 P2 116.41(18) . . ?
C22 C21 C20 120.8(2) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C21 C22 C23 120.4(3) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C24 C23 C22 119.4(2) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C23 C24 C25 120.4(2) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C24 C25 C20 120.6(2) . . ?
C24 C25 H25 119.7 . . ?
C20 C25 H25 119.7 . . ?
C31 C26 C27 118.3(2) . . ?
C31 C26 P2 119.06(19) . . ?
C27 C26 P2 122.07(19) . . ?
C28 C27 C26 121.1(2) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C29 120.0(2) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C30 C29 C28 119.6(2) . . ?
C30 C29 H29 120.2 . . ?
C28 C29 H29 120.2 . . ?
C31 C30 C29 120.4(3) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C26 120.5(2) . . ?
C30 C31 H31 119.7 . . ?
C26 C31 H31 119.7 . . ?
O5 C32 Cr2 171.4(2) . . ?
O6 C33 Cr2 174.5(2) . . ?
O7 C34 Cr2 176.8(2) . . ?
O8 C35 Cr2 177.9(2) . . ?
N2 C36 C37 112.8(2) . . ?
N2 C36 C38 113.5(2) . . ?
C37 C36 C38 111.3(2) . . ?
N2 C36 H36 106.2 . . ?
C37 C36 H36 106.2 . . ?
C38 C36 H36 106.2 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C44 119.3(2) . . ?
C40 C39 P3 121.98(18) . . ?
C44 C39 P3 118.52(19) . . ?
C39 C40 C41 120.6(2) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 H40 119.7 . . ?
C40 C41 C42 119.6(2) . . ?
C40 C41 H41 120.2 . . ?
C42 C41 H41 120.2 . . ?
C43 C42 C41 120.3(2) . . ?
C43 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
C42 C43 C44 119.9(2) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C39 C44 C43 120.4(2) . . ?
C39 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C46 C45 C50 118.7(2) . . ?
C46 C45 P3 123.2(2) . . ?
C50 C45 P3 117.78(18) . . ?
C45 C46 C47 120.4(2) . . ?
C45 C46 H46 119.8 . . ?
C47 C46 H46 119.8 . . ?
C48 C47 C46 120.3(2) . . ?
C48 C47 H47 119.8 . . ?
C46 C47 H47 119.8 . . ?
C47 C48 C49 119.8(2) . . ?
C47 C48 H48 120.1 . . ?
C49 C48 H48 120.1 . . ?
C48 C49 C50 119.9(2) . . ?
C48 C49 H49 120.0 . . ?
C50 C49 H49 120.0 . . ?
C49 C50 C45 120.7(2) . . ?
C49 C50 H50 119.6 . . ?
C45 C50 H50 119.6 . . ?
C52 C51 C56 118.8(2) . . ?
C52 C51 P4 120.55(19) . . ?
C56 C51 P4 120.52(18) . . ?
C53 C52 C51 120.7(2) . . ?
C53 C52 H52 119.6 . . ?
C51 C52 H52 119.6 . . ?
C52 C53 C54 119.8(2) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C55 C54 C53 119.9(2) . . ?
C55 C54 H54 120.1 . . ?
C53 C54 H54 120.1 . . ?
C54 C55 C56 120.0(2) . . ?
C54 C55 H55 120.0 . . ?
C56 C55 H55 120.0 . . ?
C55 C56 C51 120.7(2) . . ?
C55 C56 H56 119.6 . . ?
C51 C56 H56 119.6 . . ?
C62 C57 C58 119.4(2) . . ?
C62 C57 P4 124.15(19) . . ?
C58 C57 P4 116.46(18) . . ?
C59 C58 C57 120.4(2) . . ?
C59 C58 H58 119.8 . . ?
C57 C58 H58 119.8 . . ?
C60 C59 C58 119.7(2) . . ?
C60 C59 H59 120.1 . . ?
C58 C59 H59 120.1 . . ?
C59 C60 C61 120.3(2) . . ?
C59 C60 H60 119.8 . . ?
C61 C60 H60 119.8 . . ?
C60 C61 C62 120.0(2) . . ?
C60 C61 H61 120.0 . . ?
C62 C61 H61 120.0 . . ?
C57 C62 C61 120.1(2) . . ?
C57 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
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
Cr1 C4 1.858(3) . yes
Cr1 C3 1.862(3) . yes
Cr1 C1 1.878(3) . yes
Cr1 C2 1.891(3) . yes
Cr1 P2 2.3461(11) . yes
Cr1 P1 2.3533(11) . yes
Cr2 C34 1.858(3) . yes
Cr2 C35 1.863(3) . yes
Cr2 C33 1.883(3) . yes
Cr2 C32 1.885(3) . yes
Cr2 P4 2.3326(9) . yes
Cr2 P3 2.3518(10) . yes
P1 N1 1.714(2) . yes
P1 C8 1.822(3) . yes
P1 C14 1.833(3) . yes
P2 N1 1.712(2) . yes
P2 C26 1.827(3) . yes
P2 C20 1.828(3) . yes
P3 N2 1.715(2) . yes
P3 C45 1.827(3) . yes
P3 C39 1.834(2) . yes
P4 N2 1.713(2) . yes
P4 C57 1.821(2) . yes
P4 C51 1.824(2) . yes
N1 C5 1.504(3) . yes
N2 C36 1.499(3) . yes
O1 C1 1.152(3) . ?
O2 C2 1.149(3) . ?
O3 C3 1.153(3) . ?
O4 C4 1.158(3) . ?
O5 C32 1.156(3) . ?
O6 C33 1.151(3) . ?
O7 C34 1.150(3) . ?
O8 C35 1.153(3) . ?
C5 C7 1.516(4) . ?
C5 C6 1.534(3) . ?
C5 H5 1.0000 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C13 1.391(3) . ?
C8 C9 1.397(4) . ?
C9 C10 1.393(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.394(4) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.393(4) . ?
C14 C19 1.401(4) . ?
C15 C16 1.393(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.389(4) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.389(3) . ?
C20 C25 1.399(3) . ?
C21 C22 1.385(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.388(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.390(3) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C31 1.396(3) . ?
C26 C27 1.395(3) . ?
C27 C28 1.385(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.383(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.388(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.386(4) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C36 C37 1.519(4) . ?
C36 C38 1.530(3) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.387(3) . ?
C39 C44 1.389(3) . ?
C40 C41 1.389(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.391(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.378(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.392(3) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.388(3) . ?
C45 C50 1.397(3) . ?
C46 C47 1.391(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.380(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.388(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.384(4) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C52 1.393(3) . ?
C51 C56 1.399(3) . ?
C52 C53 1.385(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.396(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.390(3) . ?
C54 H54 0.9500 . ?
C55 C56 1.379(3) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C62 1.388(3) . ?
C57 C58 1.395(3) . ?
C58 C59 1.388(3) . ?
C58 H58 0.9500 . ?
C59 C60 1.383(4) . ?
C59 H59 0.9500 . ?
C60 C61 1.383(4) . ?
C60 H60 0.9500 . ?
C61 C62 1.392(3) . ?
C61 H61 0.9500 . ?
C62 H62 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
C4 Cr1 P1 N1 168.46(11) . . . . ?
C3 Cr1 P1 N1 2.5(3) . . . . ?
C1 Cr1 P1 N1 81.25(11) . . . . ?
C2 Cr1 P1 N1 -104.04(11) . . . . ?
P2 Cr1 P1 N1 -7.01(7) . . . . ?
C4 Cr1 P1 C8 56.64(13) . . . . ?
C3 Cr1 P1 C8 -109.3(3) . . . . ?
C1 Cr1 P1 C8 -30.57(13) . . . . ?
C2 Cr1 P1 C8 144.14(13) . . . . ?
P2 Cr1 P1 C8 -118.83(10) . . . . ?
C4 Cr1 P1 C14 -76.90(13) . . . . ?
C3 Cr1 P1 C14 117.2(3) . . . . ?
C1 Cr1 P1 C14 -164.12(13) . . . . ?
C2 Cr1 P1 C14 10.60(13) . . . . ?
P2 Cr1 P1 C14 107.62(11) . . . . ?
C4 Cr1 P2 N1 -12.4(4) . . . . ?
C3 Cr1 P2 N1 -170.12(11) . . . . ?
C1 Cr1 P2 N1 -82.89(10) . . . . ?
C2 Cr1 P2 N1 105.09(11) . . . . ?
P1 Cr1 P2 N1 7.03(7) . . . . ?
C4 Cr1 P2 C26 -125.7(4) . . . . ?
C3 Cr1 P2 C26 76.55(13) . . . . ?
C1 Cr1 P2 C26 163.77(12) . . . . ?
C2 Cr1 P2 C26 -8.24(13) . . . . ?
P1 Cr1 P2 C26 -106.31(10) . . . . ?
C4 Cr1 P2 C20 104.4(4) . . . . ?
C3 Cr1 P2 C20 -53.28(12) . . . . ?
C1 Cr1 P2 C20 33.94(11) . . . . ?
C2 Cr1 P2 C20 -138.07(12) . . . . ?
P1 Cr1 P2 C20 123.86(9) . . . . ?
C34 Cr2 P3 N2 22.9(3) . . . . ?
C35 Cr2 P3 N2 176.27(10) . . . . ?
C33 Cr2 P3 N2 86.09(10) . . . . ?
C32 Cr2 P3 N2 -97.75(10) . . . . ?
P4 Cr2 P3 N2 -3.19(7) . . . . ?
C34 Cr2 P3 C45 -91.9(3) . . . . ?
C35 Cr2 P3 C45 61.42(12) . . . . ?
C33 Cr2 P3 C45 -28.77(12) . . . . ?
C32 Cr2 P3 C45 147.39(12) . . . . ?
P4 Cr2 P3 C45 -118.05(9) . . . . ?
C34 Cr2 P3 C39 138.3(3) . . . . ?
C35 Cr2 P3 C39 -68.36(12) . . . . ?
C33 Cr2 P3 C39 -158.55(12) . . . . ?
C32 Cr2 P3 C39 17.62(13) . . . . ?
P4 Cr2 P3 C39 112.18(10) . . . . ?
C34 Cr2 P4 N2 -169.41(10) . . . . ?
C35 Cr2 P4 N2 1.2(3) . . . . ?
C33 Cr2 P4 N2 -86.47(11) . . . . ?
C32 Cr2 P4 N2 103.34(11) . . . . ?
P3 Cr2 P4 N2 3.20(7) . . . . ?
C34 Cr2 P4 C57 -55.49(12) . . . . ?
C35 Cr2 P4 C57 115.2(3) . . . . ?
C33 Cr2 P4 C57 27.45(12) . . . . ?
C32 Cr2 P4 C57 -142.74(12) . . . . ?
P3 Cr2 P4 C57 117.11(10) . . . . ?
C34 Cr2 P4 C51 75.09(13) . . . . ?
C35 Cr2 P4 C51 -114.3(3) . . . . ?
C33 Cr2 P4 C51 158.03(12) . . . . ?
C32 Cr2 P4 C51 -12.16(13) . . . . ?
P3 Cr2 P4 C51 -112.30(10) . . . . ?
C26 P2 N1 C5 -38.5(2) . . . . ?
C20 P2 N1 C5 72.2(2) . . . . ?
Cr1 P2 N1 C5 -169.3(2) . . . . ?
C26 P2 N1 P1 121.76(11) . . . . ?
C20 P2 N1 P1 -127.60(11) . . . . ?
Cr1 P2 N1 P1 -9.08(9) . . . . ?
C8 P1 N1 C5 -66.6(2) . . . . ?
C14 P1 N1 C5 40.7(2) . . . . ?
Cr1 P1 N1 C5 171.15(17) . . . . ?
C8 P1 N1 P2 131.26(11) . . . . ?
C14 P1 N1 P2 -121.44(12) . . . . ?
Cr1 P1 N1 P2 9.05(9) . . . . ?
C45 P3 N2 C36 -76.3(2) . . . . ?
C39 P3 N2 C36 33.5(2) . . . . ?
Cr2 P3 N2 C36 164.2(2) . . . . ?
C45 P3 N2 P4 123.65(11) . . . . ?
C39 P3 N2 P4 -126.61(11) . . . . ?
Cr2 P3 N2 P4 4.08(9) . . . . ?
C57 P4 N2 C36 72.2(2) . . . . ?
C51 P4 N2 C36 -35.0(2) . . . . ?
Cr2 P4 N2 C36 -166.34(17) . . . . ?
C57 P4 N2 P3 -125.54(10) . . . . ?
C51 P4 N2 P3 127.23(11) . . . . ?
Cr2 P4 N2 P3 -4.12(9) . . . . ?
P2 N1 C5 C7 -57.4(3) . . . . ?
P1 N1 C5 C7 146.60(19) . . . . ?
P2 N1 C5 C6 69.3(3) . . . . ?
P1 N1 C5 C6 -86.7(3) . . . . ?
N1 P1 C8 C13 -22.0(2) . . . . ?
C14 P1 C8 C13 -132.6(2) . . . . ?
Cr1 P1 C8 C13 83.8(2) . . . . yes
N1 P1 C8 C9 162.22(18) . . . . ?
C14 P1 C8 C9 51.6(2) . . . . ?
Cr1 P1 C8 C9 -92.0(2) . . . . yes
C13 C8 C9 C10 0.4(4) . . . . ?
P1 C8 C9 C10 176.26(18) . . . . ?
C8 C9 C10 C11 -0.2(4) . . . . ?
C9 C10 C11 C12 0.1(4) . . . . ?
C10 C11 C12 C13 -0.2(4) . . . . ?
C9 C8 C13 C12 -0.5(4) . . . . ?
P1 C8 C13 C12 -176.25(18) . . . . ?
C11 C12 C13 C8 0.4(4) . . . . ?
N1 P1 C14 C15 102.8(2) . . . . ?
C8 P1 C14 C15 -146.5(2) . . . . ?
Cr1 P1 C14 C15 -6.9(3) . . . . yes
N1 P1 C14 C19 -73.5(2) . . . . ?
C8 P1 C14 C19 37.2(2) . . . . ?
Cr1 P1 C14 C19 176.82(17) . . . . yes
C19 C14 C15 C16 0.5(4) . . . . ?
P1 C14 C15 C16 -175.8(2) . . . . ?
C14 C15 C16 C17 0.9(4) . . . . ?
C15 C16 C17 C18 -1.4(5) . . . . ?
C16 C17 C18 C19 0.4(4) . . . . ?
C17 C18 C19 C14 1.1(4) . . . . ?
C15 C14 C19 C18 -1.5(4) . . . . ?
P1 C14 C19 C18 174.9(2) . . . . ?
N1 P2 C20 C21 18.7(2) . . . . ?
C26 P2 C20 C21 130.5(2) . . . . ?
Cr1 P2 C20 C21 -88.4(2) . . . . yes
N1 P2 C20 C25 -170.24(18) . . . . ?
C26 P2 C20 C25 -58.5(2) . . . . ?
Cr1 P2 C20 C25 82.7(2) . . . . yes
C25 C20 C21 C22 2.5(4) . . . . ?
P2 C20 C21 C22 173.4(2) . . . . ?
C20 C21 C22 C23 -1.6(4) . . . . ?
C21 C22 C23 C24 -0.6(4) . . . . ?
C22 C23 C24 C25 1.7(4) . . . . ?
C23 C24 C25 C20 -0.8(4) . . . . ?
C21 C20 C25 C24 -1.3(4) . . . . ?
P2 C20 C25 C24 -172.98(19) . . . . ?
N1 P2 C26 C31 -80.9(2) . . . . ?
C20 P2 C26 C31 162.24(19) . . . . ?
Cr1 P2 C26 C31 28.3(2) . . . . yes
N1 P2 C26 C27 90.6(2) . . . . ?
C20 P2 C26 C27 -26.3(2) . . . . ?
Cr1 P2 C26 C27 -160.19(16) . . . . yes
C31 C26 C27 C28 1.9(4) . . . . ?
P2 C26 C27 C28 -169.62(18) . . . . ?
C26 C27 C28 C29 -0.2(4) . . . . ?
C27 C28 C29 C30 -1.4(4) . . . . ?
C28 C29 C30 C31 1.2(4) . . . . ?
C29 C30 C31 C26 0.6(4) . . . . ?
C27 C26 C31 C30 -2.1(4) . . . . ?
P2 C26 C31 C30 169.7(2) . . . . ?
P3 N2 C36 C37 59.2(3) . . . . ?
P4 N2 C36 C37 -144.98(18) . . . . ?
P3 N2 C36 C38 -68.5(3) . . . . ?
P4 N2 C36 C38 87.3(2) . . . . ?
N2 P3 C39 C40 -88.3(2) . . . . ?
C45 P3 C39 C40 26.6(2) . . . . ?
Cr2 P3 C39 C40 161.29(16) . . . . yes
N2 P3 C39 C44 86.3(2) . . . . ?
C45 P3 C39 C44 -158.9(2) . . . . ?
Cr2 P3 C39 C44 -24.1(2) . . . . yes
C44 C39 C40 C41 -1.6(4) . . . . ?
P3 C39 C40 C41 172.96(19) . . . . ?
C39 C40 C41 C42 0.2(4) . . . . ?
C40 C41 C42 C43 1.2(4) . . . . ?
C41 C42 C43 C44 -1.1(4) . . . . ?
C40 C39 C44 C43 1.7(4) . . . . ?
P3 C39 C44 C43 -173.1(2) . . . . ?
C42 C43 C44 C39 -0.3(4) . . . . ?
N2 P3 C45 C46 -18.5(2) . . . . ?
C39 P3 C45 C46 -131.0(2) . . . . ?
Cr2 P3 C45 C46 88.2(2) . . . . yes
N2 P3 C45 C50 167.70(18) . . . . ?
C39 P3 C45 C50 55.2(2) . . . . ?
Cr2 P3 C45 C50 -85.6(2) . . . . yes
C50 C45 C46 C47 -3.1(4) . . . . ?
P3 C45 C46 C47 -176.8(2) . . . . ?
C45 C46 C47 C48 2.1(4) . . . . ?
C46 C47 C48 C49 0.6(4) . . . . ?
C47 C48 C49 C50 -2.1(4) . . . . ?
C48 C49 C50 C45 1.1(4) . . . . ?
C46 C45 C50 C49 1.5(4) . . . . ?
P3 C45 C50 C49 175.60(19) . . . . ?
N2 P4 C51 C52 -93.2(2) . . . . ?
C57 P4 C51 C52 154.6(2) . . . . ?
Cr2 P4 C51 C52 18.0(2) . . . . yes
N2 P4 C51 C56 83.1(2) . . . . ?
C57 P4 C51 C56 -29.1(2) . . . . ?
Cr2 P4 C51 C56 -165.67(16) . . . . yes
C56 C51 C52 C53 -0.4(4) . . . . ?
P4 C51 C52 C53 175.9(2) . . . . ?
C51 C52 C53 C54 -0.3(4) . . . . ?
C52 C53 C54 C55 0.6(4) . . . . ?
C53 C54 C55 C56 -0.1(4) . . . . ?
C54 C55 C56 C51 -0.7(4) . . . . ?
C52 C51 C56 C55 1.0(4) . . . . ?
P4 C51 C56 C55 -175.43(19) . . . . ?
N2 P4 C57 C62 1.7(2) . . . . ?
C51 P4 C57 C62 112.4(2) . . . . ?
Cr2 P4 C57 C62 -105.8(2) . . . . yes
N2 P4 C57 C58 -179.56(18) . . . . ?
C51 P4 C57 C58 -68.9(2) . . . . ?
Cr2 P4 C57 C58 72.9(2) . . . . yes
C62 C57 C58 C59 -1.0(4) . . . . ?
P4 C57 C58 C59 -179.81(19) . . . . ?
C57 C58 C59 C60 0.1(4) . . . . ?
C58 C59 C60 C61 0.9(4) . . . . ?
C59 C60 C61 C62 -1.0(4) . . . . ?
C58 C57 C62 C61 0.9(4) . . . . ?
P4 C57 C62 C61 179.6(2) . . . . ?
C60 C61 C62 C57 0.1(4) . . . . ?
