#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/63/4086317.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_4086317
loop_
_publ_author_name
'Yousif, Maryam'
'Tjapkes, Daniel J.'
'Lord, Richard L.'
'Groysman, Stanislav'
_publ_section_title
;
 Catalytic Formation of Asymmetric Carbodiimides at Mononuclear
 Chromium(II/IV) Bis(alkoxide) Complexes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              5119
_journal_paper_doi               10.1021/acs.organomet.5b00703
_journal_volume                  34
_journal_year                    2015
_chemical_formula_sum            'C72 H66 Cr2 O4'
_chemical_formula_weight         1099.25
_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                92.830(2)
_cell_angle_beta                 103.028(2)
_cell_angle_gamma                97.627(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2537(7)
_cell_length_b                   15.7690(10)
_cell_length_c                   18.3056(10)
_cell_measurement_temperature    100(2)
_cell_volume                     3126.3(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker Apex2'
_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  0.0440
_diffrn_reflns_av_sigmaI/netI    0.0634
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            39410
_diffrn_reflns_theta_full        25.76
_diffrn_reflns_theta_max         25.76
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    0.394
_exptl_absorpt_correction_T_max  0.9617
_exptl_absorpt_correction_T_min  0.9254
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.168
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.798
_refine_diff_density_min         -0.762
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.244
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     675
_refine_ls_number_reflns         11820
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.244
_refine_ls_R_factor_all          0.0837
_refine_ls_R_factor_gt           0.0517
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0618P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1269
_refine_ls_wR_factor_ref         0.1396
_reflns_number_gt                8460
_reflns_number_total             11820
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5b00703_si_001.cif
_cod_data_source_block           sg476_0m
_cod_depositor_comments
'Adding full bibliography for 4086317--4086323.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4086317
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 0.96047(4) 0.66835(3) 0.76736(2) 0.01401(13) Uani 1 1 d . . .
Cr2 Cr 0.94958(4) 0.82427(3) 0.72071(2) 0.01353(13) Uani 1 1 d . . .
O1 O 0.88825(15) 0.70774(11) 0.66731(9) 0.0148(4) Uani 1 1 d . . .
O4 O 1.04702(15) 0.92589(11) 0.71600(9) 0.0156(4) Uani 1 1 d . . .
C31 C 1.1121(2) 1.00944(17) 0.71957(15) 0.0176(6) Uani 1 1 d . . .
C40 C 1.2048(2) 1.02651(19) 0.79760(15) 0.0200(7) Uani 1 1 d . . .
C45 C 1.2568(3) 1.1085(2) 0.83099(17) 0.0312(8) Uani 1 1 d . . .
H45 H 1.2336 1.1574 0.8063 0.037 Uiso 1 1 calc R . .
C44 C 1.3426(3) 1.1196(3) 0.90029(18) 0.0404(10) Uani 1 1 d . . .
H44 H 1.3759 1.1760 0.9222 0.048 Uiso 1 1 calc R . .
C43 C 1.3794(3) 1.0512(3) 0.93704(18) 0.0436(10) Uani 1 1 d . . .
H43 H 1.4376 1.0597 0.9842 0.052 Uiso 1 1 calc R . .
C42 C 1.3308(3) 0.9693(2) 0.90467(17) 0.0364(9) Uani 1 1 d . . .
H42 H 1.3567 0.9209 0.9292 0.044 Uiso 1 1 calc R . .
C41 C 1.2441(2) 0.9576(2) 0.83623(16) 0.0257(7) Uani 1 1 d . . .
H41 H 1.2105 0.9008 0.8152 0.031 Uiso 1 1 calc R . .
C32 C 1.1954(2) 1.00777(18) 0.65906(15) 0.0203(7) Uani 1 1 d . . .
C33 C 1.2719(2) 0.93322(19) 0.67211(15) 0.0235(7) Uani 1 1 d . . .
H33A H 1.2168 0.8796 0.6722 0.035 Uiso 1 1 calc R . .
H33B H 1.3319 0.9448 0.7207 0.035 Uiso 1 1 calc R . .
H33C H 1.3154 0.9279 0.6318 0.035 Uiso 1 1 calc R . .
C35 C 1.2901(3) 1.08878(19) 0.66334(16) 0.0289(8) Uani 1 1 d . . .
H35A H 1.3463 1.0973 0.7133 0.043 Uiso 1 1 calc R . .
H35B H 1.2470 1.1387 0.6543 0.043 Uiso 1 1 calc R . .
H35C H 1.3374 1.0819 0.6251 0.043 Uiso 1 1 calc R . .
C34 C 1.1157(3) 0.99265(19) 0.57815(15) 0.0239(7) Uani 1 1 d . . .
H34A H 1.1678 0.9820 0.5434 0.036 Uiso 1 1 calc R . .
H34B H 1.0765 1.0435 0.5650 0.036 Uiso 1 1 calc R . .
H34C H 1.0519 0.9428 0.5745 0.036 Uiso 1 1 calc R . .
C36 C 1.0105(2) 1.07254(18) 0.70869(15) 0.0209(7) Uani 1 1 d . . .
C37 C 0.8924(2) 1.03274(19) 0.65034(16) 0.0244(7) Uani 1 1 d . . .
H37A H 0.8337 1.0740 0.6431 0.037 Uiso 1 1 calc R . .
H37B H 0.8553 0.9805 0.6684 0.037 Uiso 1 1 calc R . .
H37C H 0.9130 1.0184 0.6024 0.037 Uiso 1 1 calc R . .
C39 C 1.0472(3) 1.16185(18) 0.68194(17) 0.0316(8) Uani 1 1 d . . .
H39A H 1.0599 1.1549 0.6309 0.047 Uiso 1 1 calc R . .
H39B H 1.1237 1.1905 0.7160 0.047 Uiso 1 1 calc R . .
H39C H 0.9813 1.1967 0.6820 0.047 Uiso 1 1 calc R . .
C38 C 0.9689(3) 1.08686(18) 0.78223(15) 0.0242(7) Uani 1 1 d . . .
H38A H 0.8977 1.1178 0.7728 0.036 Uiso 1 1 calc R . .
H38B H 1.0366 1.1207 0.8200 0.036 Uiso 1 1 calc R . .
H38C H 0.9459 1.0312 0.8008 0.036 Uiso 1 1 calc R . .
O2 O 0.88421(15) 0.76682(11) 0.80055(9) 0.0148(4) Uani 1 1 d . . .
C16 C 0.8412(2) 0.79447(17) 0.86553(14) 0.0148(6) Uani 1 1 d . . .
C21 C 0.7483(2) 0.71511(17) 0.88137(15) 0.0177(6) Uani 1 1 d . . .
C24 C 0.6803(3) 0.73409(19) 0.94306(16) 0.0248(7) Uani 1 1 d . . .
H24A H 0.6196 0.6842 0.9452 0.037 Uiso 1 1 calc R . .
H24B H 0.6381 0.7840 0.9315 0.037 Uiso 1 1 calc R . .
H24C H 0.7399 0.7462 0.9918 0.037 Uiso 1 1 calc R . .
C22 C 0.8129(3) 0.63705(18) 0.90313(16) 0.0253(7) Uani 1 1 d . . .
H22A H 0.7514 0.5882 0.9067 0.038 Uiso 1 1 calc R . .
H22B H 0.8720 0.6509 0.9519 0.038 Uiso 1 1 calc R . .
H22C H 0.8566 0.6222 0.8647 0.038 Uiso 1 1 calc R . .
C23 C 0.6457(3) 0.68771(19) 0.80969(16) 0.0244(7) Uani 1 1 d . . .
H23A H 0.6826 0.6819 0.7664 0.037 Uiso 1 1 calc R . .
H23B H 0.5905 0.7312 0.8016 0.037 Uiso 1 1 calc R . .
H23C H 0.5986 0.6325 0.8154 0.037 Uiso 1 1 calc R . .
C25 C 0.7641(2) 0.86668(16) 0.84215(14) 0.0142(6) Uani 1 1 d . . .
C30 C 0.7153(2) 0.87732(18) 0.76702(15) 0.0195(6) Uani 1 1 d . . .
H30 H 0.7345 0.8411 0.7296 0.023 Uiso 1 1 calc R . .
C29 C 0.6400(2) 0.93822(19) 0.74425(17) 0.0253(7) Uani 1 1 d . . .
H29 H 0.6081 0.9429 0.6922 0.030 Uiso 1 1 calc R . .
C28 C 0.6109(3) 0.99238(19) 0.79725(18) 0.0288(8) Uani 1 1 d . . .
H28 H 0.5595 1.0346 0.7822 0.035 Uiso 1 1 calc R . .
C27 C 0.6582(2) 0.98389(19) 0.87240(17) 0.0252(7) Uani 1 1 d . . .
H27 H 0.6393 1.0207 0.9095 0.030 Uiso 1 1 calc R . .
C26 C 0.7328(2) 0.92243(17) 0.89426(16) 0.0191(6) Uani 1 1 d . . .
H26 H 0.7640 0.9179 0.9464 0.023 Uiso 1 1 calc R . .
C17 C 0.9620(2) 0.82890(17) 0.93109(14) 0.0160(6) Uani 1 1 d . . .
C20 C 1.0123(2) 0.92124(17) 0.91920(15) 0.0196(6) Uani 1 1 d . . .
H20A H 1.0956 0.9372 0.9512 0.029 Uiso 1 1 calc R . .
H20B H 0.9583 0.9604 0.9324 0.029 Uiso 1 1 calc R . .
H20C H 1.0152 0.9251 0.8663 0.029 Uiso 1 1 calc R . .
C18 C 1.0665(2) 0.77651(18) 0.92673(16) 0.0218(7) Uani 1 1 d . . .
H18A H 1.0927 0.7858 0.8798 0.033 Uiso 1 1 calc R . .
H18B H 1.0370 0.7154 0.9279 0.033 Uiso 1 1 calc R . .
H18C H 1.1365 0.7950 0.9697 0.033 Uiso 1 1 calc R . .
C19 C 0.9479(3) 0.82832(18) 1.01290(14) 0.0216(7) Uani 1 1 d . . .
H19A H 1.0241 0.8572 1.0470 0.032 Uiso 1 1 calc R . .
H19B H 0.9313 0.7689 1.0255 0.032 Uiso 1 1 calc R . .
H19C H 0.8791 0.8585 1.0182 0.032 Uiso 1 1 calc R . .
C46 C 0.8482(2) 0.66899(17) 0.59048(14) 0.0153(6) Uani 1 1 d . . .
C47 C 0.9697(2) 0.66600(17) 0.55897(14) 0.0174(6) Uani 1 1 d . . .
C49 C 0.9548(3) 0.66301(18) 0.47322(15) 0.0224(7) Uani 1 1 d . . .
H49A H 0.9310 0.7171 0.4550 0.034 Uiso 1 1 calc R . .
H49B H 0.8909 0.6153 0.4489 0.034 Uiso 1 1 calc R . .
H49C H 1.0332 0.6546 0.4611 0.034 Uiso 1 1 calc R . .
C48 C 1.0296(2) 0.58725(17) 0.58631(15) 0.0194(6) Uani 1 1 d . . .
H48A H 1.1126 0.5922 0.5771 0.029 Uiso 1 1 calc R . .
H48B H 0.9794 0.5349 0.5589 0.029 Uiso 1 1 calc R . .
H48C H 1.0348 0.5846 0.6403 0.029 Uiso 1 1 calc R . .
C50 C 1.0675(2) 0.74448(17) 0.59182(15) 0.0198(6) Uani 1 1 d . . .
H50A H 1.0937 0.7429 0.6465 0.030 Uiso 1 1 calc R . .
H50B H 1.0322 0.7972 0.5803 0.030 Uiso 1 1 calc R . .
H50C H 1.1388 0.7432 0.5696 0.030 Uiso 1 1 calc R . .
C55 C 0.7813(2) 0.57784(17) 0.59390(15) 0.0161(6) Uani 1 1 d . . .
C60 C 0.7535(2) 0.51507(18) 0.53270(15) 0.0208(7) Uani 1 1 d . . .
H60 H 0.7768 0.5288 0.4874 0.025 Uiso 1 1 calc R . .
C59 C 0.6931(2) 0.43410(18) 0.53707(16) 0.0232(7) Uani 1 1 d . . .
H59 H 0.6766 0.3928 0.4951 0.028 Uiso 1 1 calc R . .
C58 C 0.6566(2) 0.41228(18) 0.60136(16) 0.0239(7) Uani 1 1 d . . .
H58 H 0.6155 0.3563 0.6041 0.029 Uiso 1 1 calc R . .
C57 C 0.6805(2) 0.47287(18) 0.66169(16) 0.0221(7) Uani 1 1 d . . .
H57 H 0.6554 0.4590 0.7064 0.026 Uiso 1 1 calc R . .
C56 C 0.7414(2) 0.55415(17) 0.65714(15) 0.0175(6) Uani 1 1 d . . .
H56 H 0.7562 0.5952 0.6991 0.021 Uiso 1 1 calc R . .
C51 C 0.7466(2) 0.72329(17) 0.54757(14) 0.0171(6) Uani 1 1 d . . .
C52 C 0.6434(2) 0.72277(18) 0.59003(16) 0.0226(7) Uani 1 1 d . . .
H52A H 0.5913 0.7659 0.5714 0.034 Uiso 1 1 calc R . .
H52B H 0.6798 0.7363 0.6439 0.034 Uiso 1 1 calc R . .
H52C H 0.5932 0.6659 0.5819 0.034 Uiso 1 1 calc R . .
C53 C 0.8006(3) 0.81691(17) 0.54312(16) 0.0233(7) Uani 1 1 d . . .
H53A H 0.7341 0.8489 0.5212 0.035 Uiso 1 1 calc R . .
H53B H 0.8604 0.8189 0.5115 0.035 Uiso 1 1 calc R . .
H53C H 0.8418 0.8428 0.5938 0.035 Uiso 1 1 calc R . .
C54 C 0.6809(3) 0.68765(18) 0.46665(15) 0.0249(7) Uani 1 1 d . . .
H54A H 0.6442 0.6278 0.4668 0.037 Uiso 1 1 calc R . .
H54B H 0.7408 0.6907 0.4351 0.037 Uiso 1 1 calc R . .
H54C H 0.6161 0.7218 0.4466 0.037 Uiso 1 1 calc R . .
O3 O 1.06902(16) 0.59444(11) 0.80230(10) 0.0174(4) Uani 1 1 d . . .
C1 C 1.1440(2) 0.52886(17) 0.81704(15) 0.0185(6) Uani 1 1 d . . .
C8 C 1.0506(3) 0.43968(18) 0.80164(16) 0.0210(7) Uani 1 1 d . . .
C6 C 0.9326(3) 0.44904(19) 0.82916(17) 0.0264(7) Uani 1 1 d . . .
H6A H 0.8882 0.4906 0.8003 0.040 Uiso 1 1 calc R . .
H6B H 0.9551 0.4692 0.8827 0.040 Uiso 1 1 calc R . .
H6C H 0.8796 0.3933 0.8220 0.040 Uiso 1 1 calc R . .
C7 C 1.0991(3) 0.36081(19) 0.83800(18) 0.0316(8) Uani 1 1 d . . .
H7A H 1.0383 0.3094 0.8195 0.047 Uiso 1 1 calc R . .
H7B H 1.1130 0.3697 0.8928 0.047 Uiso 1 1 calc R . .
H7C H 1.1769 0.3533 0.8247 0.047 Uiso 1 1 calc R . .
C9 C 1.0056(3) 0.41577(18) 0.71627(16) 0.0243(7) Uani 1 1 d . . .
H9A H 0.9369 0.3683 0.7068 0.036 Uiso 1 1 calc R . .
H9B H 1.0734 0.3981 0.6965 0.036 Uiso 1 1 calc R . .
H9C H 0.9780 0.4656 0.6913 0.036 Uiso 1 1 calc R . .
C2 C 1.2286(3) 0.55124(19) 0.90122(15) 0.0232(7) Uani 1 1 d . . .
C3 C 1.3309(3) 0.4949(2) 0.92266(17) 0.0352(8) Uani 1 1 d . . .
H3A H 1.3807 0.4971 0.8850 0.053 Uiso 1 1 calc R . .
H3B H 1.2936 0.4355 0.9244 0.053 Uiso 1 1 calc R . .
H3C H 1.3837 0.5163 0.9721 0.053 Uiso 1 1 calc R . .
C4 C 1.1520(3) 0.5456(2) 0.96065(16) 0.0283(7) Uani 1 1 d . . .
H4A H 1.2040 0.5695 1.0096 0.042 Uiso 1 1 calc R . .
H4B H 1.1196 0.4854 0.9638 0.042 Uiso 1 1 calc R . .
H4C H 1.0832 0.5783 0.9465 0.042 Uiso 1 1 calc R . .
C5 C 1.2959(3) 0.64326(19) 0.90864(16) 0.0279(7) Uani 1 1 d . . .
H5A H 1.2362 0.6823 0.8920 0.042 Uiso 1 1 calc R . .
H5B H 1.3562 0.6468 0.8773 0.042 Uiso 1 1 calc R . .
H5C H 1.3386 0.6596 0.9613 0.042 Uiso 1 1 calc R . .
C10 C 1.2330(2) 0.53621(18) 0.76355(14) 0.0195(7) Uani 1 1 d . . .
C11 C 1.2899(3) 0.4689(2) 0.74251(16) 0.0252(7) Uani 1 1 d . . .
H11 H 1.2724 0.4144 0.7607 0.030 Uiso 1 1 calc R . .
C12 C 1.3712(3) 0.4786(2) 0.69600(17) 0.0307(8) Uani 1 1 d . . .
H12 H 1.4078 0.4310 0.6826 0.037 Uiso 1 1 calc R . .
C13 C 1.3995(3) 0.5570(2) 0.66887(17) 0.0339(8) Uani 1 1 d . . .
H13 H 1.4546 0.5639 0.6364 0.041 Uiso 1 1 calc R . .
C14 C 1.3459(3) 0.6254(2) 0.69003(17) 0.0309(8) Uani 1 1 d . . .
H14 H 1.3658 0.6801 0.6728 0.037 Uiso 1 1 calc R . .
C15 C 1.2635(2) 0.6151(2) 0.73601(16) 0.0242(7) Uani 1 1 d . . .
H15 H 1.2270 0.6629 0.7491 0.029 Uiso 1 1 calc R . .
C65 C 0.3200(3) 0.8205(2) 0.4695(2) 0.0403(9) Uani 1 1 d . . .
H65A H 0.3512 0.7992 0.5185 0.060 Uiso 1 1 calc R . .
H65B H 0.2998 0.7728 0.4304 0.060 Uiso 1 1 calc R . .
H65C H 0.2458 0.8464 0.4706 0.060 Uiso 1 1 calc R . .
C66 C 0.4179(3) 0.8874(2) 0.45273(19) 0.0343(8) Uani 1 1 d . . .
H66A H 0.4932 0.8612 0.4535 0.041 Uiso 1 1 calc R . .
H66B H 0.3882 0.9049 0.4013 0.041 Uiso 1 1 calc R . .
C67 C 0.4509(3) 0.9664(2) 0.50709(18) 0.0315(8) Uani 1 1 d . . .
H67A H 0.4786 0.9485 0.5585 0.038 Uiso 1 1 calc R . .
H67B H 0.3754 0.9928 0.5057 0.038 Uiso 1 1 calc R . .
C69 C 0.7522(4) 0.2209(3) 0.8448(2) 0.0610(11) Uiso 1 1 d . . .
C68 C 0.7021(4) 0.2229(3) 0.7563(3) 0.0733(13) Uiso 1 1 d . . .
C72 C 0.5858(4) 0.2628(3) 0.7438(3) 0.0784(14) Uiso 1 1 d . . .
C71 C 0.5478(5) 0.2530(4) 0.8136(3) 0.0867(15) Uiso 1 1 d . . .
C70 C 0.6628(5) 0.2572(4) 0.8766(3) 0.1032(18) Uiso 1 1 d . . .
C73 C 0.4625(8) 0.3088(6) 0.8299(5) 0.161(3) Uiso 1 1 d . . .
C74 C 0.5842(19) 0.3719(12) 0.8514(10) 0.377(9) 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'
Cr Cr 0.3209 0.6236 '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'
H H 0.0000 0.0000 '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
O3 Cr1 O1 135.76(8) . .
O3 Cr1 O2 142.48(7) . .
O1 Cr1 O2 80.40(7) . .
O3 Cr1 Cr2 142.46(6) . .
O1 Cr1 Cr2 48.44(5) . .
O2 Cr1 Cr2 48.01(5) . .
O4 Cr2 O2 135.37(7) . .
O4 Cr2 O1 142.42(8) . .
O2 Cr2 O1 80.77(7) . .
O4 Cr2 Cr1 142.00(6) . .
O2 Cr2 Cr1 48.63(5) . .
O1 Cr2 Cr1 48.32(5) . .
C46 O1 Cr1 135.84(15) . .
C46 O1 Cr2 138.32(15) . .
Cr1 O1 Cr2 83.25(6) . .
C31 O4 Cr2 171.39(17) . .
O4 C31 C40 107.5(2) . .
O4 C31 C36 106.1(2) . .
C40 C31 C36 112.7(2) . .
O4 C31 C32 106.9(2) . .
C40 C31 C32 105.4(2) . .
C36 C31 C32 117.7(2) . .
C41 C40 C45 116.7(3) . .
C41 C40 C31 119.7(2) . .
C45 C40 C31 123.6(3) . .
C44 C45 C40 120.8(3) . .
C44 C45 H45 119.6 . .
C40 C45 H45 119.6 . .
C43 C44 C45 121.4(3) . .
C43 C44 H44 119.3 . .
C45 C44 H44 119.3 . .
C44 C43 C42 118.9(3) . .
C44 C43 H43 120.5 . .
C42 C43 H43 120.5 . .
C43 C42 C41 120.1(3) . .
C43 C42 H42 120.0 . .
C41 C42 H42 120.0 . .
C40 C41 C42 122.0(3) . .
C40 C41 H41 119.0 . .
C42 C41 H41 119.0 . .
C35 C32 C34 107.8(2) . .
C35 C32 C33 105.4(2) . .
C34 C32 C33 107.3(2) . .
C35 C32 C31 115.0(2) . .
C34 C32 C31 111.5(2) . .
C33 C32 C31 109.4(2) . .
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 . .
C32 C35 H35A 109.5 . .
C32 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C32 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C32 C34 H34A 109.5 . .
C32 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C32 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C37 C36 C38 105.0(2) . .
C37 C36 C39 104.9(2) . .
C38 C36 C39 107.7(2) . .
C37 C36 C31 111.4(2) . .
C38 C36 C31 110.2(2) . .
C39 C36 C31 116.8(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 C39 H39A 109.5 . .
C36 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C36 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 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 . .
C16 O2 Cr2 135.78(15) . .
C16 O2 Cr1 137.94(15) . .
Cr2 O2 Cr1 83.36(7) . .
O2 C16 C25 107.2(2) . .
O2 C16 C21 106.61(19) . .
C25 C16 C21 106.9(2) . .
O2 C16 C17 106.69(19) . .
C25 C16 C17 111.5(2) . .
C21 C16 C17 117.5(2) . .
C22 C21 C23 108.0(2) . .
C22 C21 C24 106.8(2) . .
C23 C21 C24 105.0(2) . .
C22 C21 C16 112.3(2) . .
C23 C21 C16 109.1(2) . .
C24 C21 C16 115.2(2) . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C30 C25 C26 115.6(2) . .
C30 C25 C16 121.5(2) . .
C26 C25 C16 122.9(2) . .
C29 C30 C25 122.9(3) . .
C29 C30 H30 118.5 . .
C25 C30 H30 118.5 . .
C30 C29 C28 120.0(3) . .
C30 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C27 C28 C29 118.6(3) . .
C27 C28 H28 120.7 . .
C29 C28 H28 120.7 . .
C26 C27 C28 120.6(3) . .
C26 C27 H27 119.7 . .
C28 C27 H27 119.7 . .
C27 C26 C25 122.2(3) . .
C27 C26 H26 118.9 . .
C25 C26 H26 118.9 . .
C20 C17 C19 107.3(2) . .
C20 C17 C18 105.2(2) . .
C19 C17 C18 106.0(2) . .
C20 C17 C16 109.6(2) . .
C19 C17 C16 117.2(2) . .
C18 C17 C16 110.8(2) . .
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 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
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 . .
O1 C46 C55 106.9(2) . .
O1 C46 C51 106.2(2) . .
C55 C46 C51 107.09(19) . .
O1 C46 C47 107.09(18) . .
C55 C46 C47 111.3(2) . .
C51 C46 C47 117.7(2) . .
C50 C47 C49 105.7(2) . .
C50 C47 C48 105.5(2) . .
C49 C47 C48 107.2(2) . .
C50 C47 C46 110.8(2) . .
C49 C47 C46 117.6(2) . .
C48 C47 C46 109.4(2) . .
C47 C49 H49A 109.5 . .
C47 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C47 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C47 C50 H50A 109.5 . .
C47 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C47 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C56 C55 C60 116.1(2) . .
C56 C55 C46 121.4(2) . .
C60 C55 C46 122.5(2) . .
C59 C60 C55 121.4(3) . .
C59 C60 H60 119.3 . .
C55 C60 H60 119.3 . .
C60 C59 C58 120.9(3) . .
C60 C59 H59 119.5 . .
C58 C59 H59 119.5 . .
C59 C58 C57 119.0(3) . .
C59 C58 H58 120.5 . .
C57 C58 H58 120.5 . .
C58 C57 C56 119.9(3) . .
C58 C57 H57 120.0 . .
C56 C57 H57 120.0 . .
C55 C56 C57 122.6(3) . .
C55 C56 H56 118.7 . .
C57 C56 H56 118.7 . .
C53 C51 C52 108.3(2) . .
C53 C51 C54 106.6(2) . .
C52 C51 C54 105.1(2) . .
C53 C51 C46 112.3(2) . .
C52 C51 C46 109.0(2) . .
C54 C51 C46 115.2(2) . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C51 C54 H54A 109.5 . .
C51 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C51 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C1 O3 Cr1 169.96(16) . .
O3 C1 C10 107.5(2) . .
O3 C1 C8 105.9(2) . .
C10 C1 C8 112.9(2) . .
O3 C1 C2 107.0(2) . .
C10 C1 C2 106.4(2) . .
C8 C1 C2 116.7(2) . .
C6 C8 C9 105.0(2) . .
C6 C8 C7 105.6(2) . .
C9 C8 C7 107.6(2) . .
C6 C8 C1 111.0(2) . .
C9 C8 C1 109.8(2) . .
C7 C8 C1 117.1(2) . .
C8 C6 H6A 109.5 . .
C8 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C8 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C8 C7 H7A 109.5 . .
C8 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C8 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C4 C2 C3 108.1(2) . .
C4 C2 C5 107.3(2) . .
C3 C2 C5 105.2(2) . .
C4 C2 C1 112.1(2) . .
C3 C2 C1 114.3(2) . .
C5 C2 C1 109.4(2) . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C5 H5A 109.5 . .
C2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C15 C10 C11 116.4(3) . .
C15 C10 C1 119.5(3) . .
C11 C10 C1 124.0(3) . .
C12 C11 C10 122.3(3) . .
C12 C11 H11 118.9 . .
C10 C11 H11 118.9 . .
C13 C12 C11 120.5(3) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C14 118.4(3) . .
C12 C13 H13 120.8 . .
C14 C13 H13 120.8 . .
C13 C14 C15 120.9(3) . .
C13 C14 H14 119.6 . .
C15 C14 H14 119.6 . .
C14 C15 C10 121.5(3) . .
C14 C15 H15 119.2 . .
C10 C15 H15 119.2 . .
C66 C65 H65A 109.5 . .
C66 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C66 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C67 C66 C65 114.0(3) . .
C67 C66 H66A 108.8 . .
C65 C66 H66A 108.8 . .
C67 C66 H66B 108.8 . .
C65 C66 H66B 108.8 . .
H66A C66 H66B 107.6 . .
C66 C67 C67 115.5(3) . 2_676
C66 C67 H67A 108.4 . .
C67 C67 H67A 108.4 2_676 .
C66 C67 H67B 108.4 . .
C67 C67 H67B 108.4 2_676 .
H67A C67 H67B 107.5 . .
C70 C69 C68 104.1(4) . .
C72 C68 C69 107.6(4) . .
C71 C72 C68 103.1(4) . .
C72 C71 C73 116.5(6) . .
C72 C71 C70 108.2(5) . .
C73 C71 C70 113.3(6) . .
C69 C70 C71 106.6(5) . .
C71 C73 C74 79.9(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 O3 1.8328(18) .
Cr1 O1 1.9940(17) .
Cr1 O2 2.0031(18) .
Cr1 Cr2 2.6514(6) .
Cr2 O4 1.8350(17) .
Cr2 O2 1.9840(18) .
Cr2 O1 1.9977(17) .
O1 C46 1.453(3) .
O4 C31 1.411(3) .
C31 C40 1.555(3) .
C31 C36 1.599(4) .
C31 C32 1.606(4) .
C40 C41 1.392(4) .
C40 C45 1.396(4) .
C45 C44 1.397(4) .
C45 H45 0.9500 .
C44 C43 1.360(5) .
C44 H44 0.9500 .
C43 C42 1.382(5) .
C43 H43 0.9500 .
C42 C41 1.391(4) .
C42 H42 0.9500 .
C41 H41 0.9500 .
C32 C35 1.538(4) .
C32 C34 1.538(4) .
C32 C33 1.544(4) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C36 C37 1.541(4) .
C36 C38 1.537(4) .
C36 C39 1.549(4) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
O2 C16 1.451(3) .
C16 C25 1.541(4) .
C16 C21 1.602(4) .
C16 C17 1.609(3) .
C21 C22 1.536(4) .
C21 C23 1.540(4) .
C21 C24 1.539(4) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C25 C30 1.388(4) .
C25 C26 1.399(4) .
C30 C29 1.382(4) .
C30 H30 0.9500 .
C29 C28 1.383(4) .
C29 H29 0.9500 .
C28 C27 1.379(4) .
C28 H28 0.9500 .
C27 C26 1.381(4) .
C27 H27 0.9500 .
C26 H26 0.9500 .
C17 C20 1.535(4) .
C17 C19 1.542(4) .
C17 C18 1.538(4) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C46 C55 1.542(4) .
C46 C51 1.606(4) .
C46 C47 1.605(4) .
C47 C50 1.540(3) .
C47 C49 1.538(4) .
C47 C48 1.542(4) .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C55 C56 1.383(4) .
C55 C60 1.408(4) .
C60 C59 1.379(4) .
C60 H60 0.9500 .
C59 C58 1.376(4) .
C59 H59 0.9500 .
C58 C57 1.378(4) .
C58 H58 0.9500 .
C57 C56 1.386(4) .
C57 H57 0.9500 .
C56 H56 0.9500 .
C51 C53 1.533(4) .
C51 C52 1.535(4) .
C51 C54 1.539(3) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
O3 C1 1.418(3) .
C1 C10 1.548(4) .
C1 C8 1.612(4) .
C1 C2 1.613(4) .
C8 C6 1.544(4) .
C8 C9 1.541(4) .
C8 C7 1.545(4) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C2 C4 1.532(4) .
C2 C3 1.540(4) .
C2 C5 1.530(4) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C10 C15 1.395(4) .
C10 C11 1.392(4) .
C11 C12 1.383(4) .
C11 H11 0.9500 .
C12 C13 1.380(5) .
C12 H12 0.9500 .
C13 C14 1.384(5) .
C13 H13 0.9500 .
C14 C15 1.385(4) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C65 C66 1.516(4) .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 C67 1.505(4) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 C67 1.504(6) 2_676
C67 H67A 0.9900 .
C67 H67B 0.9900 .
C69 C70 1.437(7) .
C69 C68 1.594(6) .
C68 C72 1.504(6) .
C72 C71 1.444(7) .
C71 C73 1.453(9) .
C71 C70 1.519(7) .
C73 C74 1.542(18) .
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
O3 Cr1 Cr2 O4 -11.05(14) . . . .
O1 Cr1 Cr2 O4 -125.73(12) . . . .
O2 Cr1 Cr2 O4 114.39(11) . . . .
O3 Cr1 Cr2 O2 -125.45(11) . . . .
O1 Cr1 Cr2 O2 119.88(9) . . . .
O3 Cr1 Cr2 O1 114.67(12) . . . .
O2 Cr1 Cr2 O1 -119.88(9) . . . .
O3 Cr1 O1 C46 35.8(3) . . . .
O2 Cr1 O1 C46 -155.9(2) . . . .
Cr2 Cr1 O1 C46 163.3(2) . . . .
O3 Cr1 O1 Cr2 -127.48(9) . . . .
O2 Cr1 O1 Cr2 40.82(6) . . . .
O4 Cr2 O1 C46 -37.5(3) . . . .
O2 Cr2 O1 C46 156.3(2) . . . .
Cr1 Cr2 O1 C46 -162.4(3) . . . .
O4 Cr2 O1 Cr1 124.96(11) . . . .
O2 Cr2 O1 Cr1 -41.24(6) . . . .
O2 Cr2 O4 C31 -39.7(11) . . . .
O1 Cr2 O4 C31 159.9(10) . . . .
Cr1 Cr2 O4 C31 -116.3(10) . . . .
Cr2 O4 C31 C40 75.8(11) . . . .
Cr2 O4 C31 C36 -45.0(11) . . . .
Cr2 O4 C31 C32 -171.4(10) . . . .
O4 C31 C40 C41 23.6(3) . . . .
C36 C31 C40 C41 140.1(3) . . . .
C32 C31 C40 C41 -90.2(3) . . . .
O4 C31 C40 C45 -159.3(3) . . . .
C36 C31 C40 C45 -42.8(4) . . . .
C32 C31 C40 C45 86.9(3) . . . .
C41 C40 C45 C44 -0.9(4) . . . .
C31 C40 C45 C44 -178.0(3) . . . .
C40 C45 C44 C43 0.8(5) . . . .
C45 C44 C43 C42 0.2(5) . . . .
C44 C43 C42 C41 -1.1(5) . . . .
C45 C40 C41 C42 -0.1(4) . . . .
C31 C40 C41 C42 177.2(3) . . . .
C43 C42 C41 C40 1.1(5) . . . .
O4 C31 C32 C35 -170.2(2) . . . .
C40 C31 C32 C35 -56.0(3) . . . .
C36 C31 C32 C35 70.7(3) . . . .
O4 C31 C32 C34 66.7(3) . . . .
C40 C31 C32 C34 -179.1(2) . . . .
C36 C31 C32 C34 -52.4(3) . . . .
O4 C31 C32 C33 -51.9(2) . . . .
C40 C31 C32 C33 62.3(3) . . . .
C36 C31 C32 C33 -171.0(2) . . . .
O4 C31 C36 C37 -38.2(3) . . . .
C40 C31 C36 C37 -155.5(2) . . . .
C32 C31 C36 C37 81.4(3) . . . .
O4 C31 C36 C38 78.0(2) . . . .
C40 C31 C36 C38 -39.4(3) . . . .
C32 C31 C36 C38 -162.5(2) . . . .
O4 C31 C36 C39 -158.7(2) . . . .
C40 C31 C36 C39 83.9(3) . . . .
C32 C31 C36 C39 -39.2(3) . . . .
O4 Cr2 O2 C16 35.1(2) . . . .
O1 Cr2 O2 C16 -156.8(2) . . . .
Cr1 Cr2 O2 C16 162.2(2) . . . .
O4 Cr2 O2 Cr1 -127.05(9) . . . .
O1 Cr2 O2 Cr1 41.00(6) . . . .
O3 Cr1 O2 C16 -36.0(3) . . . .
O1 Cr1 O2 C16 157.4(2) . . . .
Cr2 Cr1 O2 C16 -161.4(2) . . . .
O3 Cr1 O2 Cr2 125.42(11) . . . .
O1 Cr1 O2 Cr2 -41.15(6) . . . .
Cr2 O2 C16 C25 40.7(3) . . . .
Cr1 O2 C16 C25 -166.27(16) . . . .
Cr2 O2 C16 C21 154.82(16) . . . .
Cr1 O2 C16 C21 -52.1(3) . . . .
Cr2 O2 C16 C17 -78.8(3) . . . .
Cr1 O2 C16 C17 74.2(3) . . . .
O2 C16 C21 C22 64.0(3) . . . .
C25 C16 C21 C22 178.3(2) . . . .
C17 C16 C21 C22 -55.6(3) . . . .
O2 C16 C21 C23 -55.7(3) . . . .
C25 C16 C21 C23 58.6(3) . . . .
C17 C16 C21 C23 -175.3(2) . . . .
O2 C16 C21 C24 -173.5(2) . . . .
C25 C16 C21 C24 -59.1(3) . . . .
C17 C16 C21 C24 67.0(3) . . . .
O2 C16 C25 C30 19.5(3) . . . .
C21 C16 C25 C30 -94.5(3) . . . .
C17 C16 C25 C30 135.9(2) . . . .
O2 C16 C25 C26 -164.1(2) . . . .
C21 C16 C25 C26 81.9(3) . . . .
C17 C16 C25 C26 -47.7(3) . . . .
C26 C25 C30 C29 -0.4(4) . . . .
C16 C25 C30 C29 176.2(2) . . . .
C25 C30 C29 C28 0.5(4) . . . .
C30 C29 C28 C27 -0.2(4) . . . .
C29 C28 C27 C26 -0.1(4) . . . .
C28 C27 C26 C25 0.2(4) . . . .
C30 C25 C26 C27 0.1(4) . . . .
C16 C25 C26 C27 -176.5(2) . . . .
O2 C16 C17 C20 81.1(2) . . . .
C25 C16 C17 C20 -35.5(3) . . . .
C21 C16 C17 C20 -159.3(2) . . . .
O2 C16 C17 C19 -156.2(2) . . . .
C25 C16 C17 C19 87.1(3) . . . .
C21 C16 C17 C19 -36.7(3) . . . .
O2 C16 C17 C18 -34.5(3) . . . .
C25 C16 C17 C18 -151.2(2) . . . .
C21 C16 C17 C18 85.0(3) . . . .
Cr1 O1 C46 C55 40.3(3) . . . .
Cr2 O1 C46 C55 -165.13(17) . . . .
Cr1 O1 C46 C51 154.41(17) . . . .
Cr2 O1 C46 C51 -51.1(3) . . . .
Cr1 O1 C46 C47 -79.1(3) . . . .
Cr2 O1 C46 C47 75.5(3) . . . .
O1 C46 C47 C50 -34.2(3) . . . .
C55 C46 C47 C50 -150.7(2) . . . .
C51 C46 C47 C50 85.2(3) . . . .
O1 C46 C47 C49 -155.9(2) . . . .
C55 C46 C47 C49 87.6(3) . . . .
C51 C46 C47 C49 -36.5(3) . . . .
O1 C46 C47 C48 81.6(2) . . . .
C55 C46 C47 C48 -34.9(3) . . . .
C51 C46 C47 C48 -159.0(2) . . . .
O1 C46 C55 C56 16.3(3) . . . .
C51 C46 C55 C56 -97.2(3) . . . .
C47 C46 C55 C56 132.9(2) . . . .
O1 C46 C55 C60 -165.9(2) . . . .
C51 C46 C55 C60 80.6(3) . . . .
C47 C46 C55 C60 -49.3(3) . . . .
C56 C55 C60 C59 -1.8(4) . . . .
C46 C55 C60 C59 -179.7(2) . . . .
C55 C60 C59 C58 0.8(4) . . . .
C60 C59 C58 C57 0.4(4) . . . .
C59 C58 C57 C56 -0.4(4) . . . .
C60 C55 C56 C57 1.8(4) . . . .
C46 C55 C56 C57 179.7(2) . . . .
C58 C57 C56 C55 -0.7(4) . . . .
O1 C46 C51 C53 63.8(3) . . . .
C55 C46 C51 C53 177.7(2) . . . .
C47 C46 C51 C53 -56.1(3) . . . .
O1 C46 C51 C52 -56.2(2) . . . .
C55 C46 C51 C52 57.8(3) . . . .
C47 C46 C51 C52 -176.0(2) . . . .
O1 C46 C51 C54 -174.0(2) . . . .
C55 C46 C51 C54 -60.0(3) . . . .
C47 C46 C51 C54 66.2(3) . . . .
O1 Cr1 O3 C1 -33.3(10) . . . .
O2 Cr1 O3 C1 165.8(10) . . . .
Cr2 Cr1 O3 C1 -110.4(10) . . . .
Cr1 O3 C1 C10 68.0(10) . . . .
Cr1 O3 C1 C8 -52.9(11) . . . .
Cr1 O3 C1 C2 -178.0(9) . . . .
O3 C1 C8 C6 -38.3(3) . . . .
C10 C1 C8 C6 -155.7(2) . . . .
C2 C1 C8 C6 80.5(3) . . . .
O3 C1 C8 C9 77.3(3) . . . .
C10 C1 C8 C9 -40.0(3) . . . .
C2 C1 C8 C9 -163.8(2) . . . .
O3 C1 C8 C7 -159.7(2) . . . .
C10 C1 C8 C7 83.0(3) . . . .
C2 C1 C8 C7 -40.8(3) . . . .
O3 C1 C2 C4 65.9(3) . . . .
C10 C1 C2 C4 -179.5(2) . . . .
C8 C1 C2 C4 -52.4(3) . . . .
O3 C1 C2 C3 -170.7(2) . . . .
C10 C1 C2 C3 -56.0(3) . . . .
C8 C1 C2 C3 71.0(3) . . . .
O3 C1 C2 C5 -53.0(3) . . . .
C10 C1 C2 C5 61.6(3) . . . .
C8 C1 C2 C5 -171.3(2) . . . .
O3 C1 C10 C15 25.3(3) . . . .
C8 C1 C10 C15 141.7(2) . . . .
C2 C1 C10 C15 -89.0(3) . . . .
O3 C1 C10 C11 -157.2(2) . . . .
C8 C1 C10 C11 -40.8(3) . . . .
C2 C1 C10 C11 88.4(3) . . . .
C15 C10 C11 C12 -0.9(4) . . . .
C1 C10 C11 C12 -178.4(2) . . . .
C10 C11 C12 C13 0.4(4) . . . .
C11 C12 C13 C14 0.7(4) . . . .
C12 C13 C14 C15 -1.4(4) . . . .
C13 C14 C15 C10 1.0(4) . . . .
C11 C10 C15 C14 0.2(4) . . . .
C1 C10 C15 C14 177.8(2) . . . .
C65 C66 C67 C67 179.1(3) . . . 2_676
C70 C69 C68 C72 1.1(5) . . . .
C69 C68 C72 C71 -20.0(5) . . . .
C68 C72 C71 C73 160.4(5) . . . .
C68 C72 C71 C70 31.5(6) . . . .
C68 C69 C70 C71 17.6(5) . . . .
C72 C71 C70 C69 -32.3(6) . . . .
C73 C71 C70 C69 -163.0(6) . . . .
C72 C71 C73 C74 -78.5(9) . . . .
C70 C71 C73 C74 47.9(9) . . . .
