#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:31:59 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179382 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/79/4327903.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_4327903
loop_
_publ_author_name
'K. Cory MacLeod'
'Brian O. Patrick'
'Kevin M. Smith'
_publ_section_title
;
 Reactivity of Cr(III) μ-Oxo Compounds: Catalyst Regeneration and Atom
 Transfer Processes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              688
_journal_page_last               700
_journal_paper_doi               10.1021/ic202233f
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C55 H67 Cr2 N4 O'
_chemical_formula_weight         904.13
_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                90.341(3)
_cell_angle_beta                 95.604(4)
_cell_angle_gamma                107.903(4)
_cell_formula_units_Z            2
_cell_length_a                   9.1063(8)
_cell_length_b                   14.7309(14)
_cell_length_c                   18.546(2)
_cell_measurement_reflns_used    1855
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      21.63
_cell_measurement_theta_min      2.69
_cell_volume                     2354.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker X8 APEX II'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0833
_diffrn_reflns_av_sigmaI/netI    0.1255
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16664
_diffrn_reflns_theta_full        22.48
_diffrn_reflns_theta_max         22.48
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.505
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.643
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_description       needle
_exptl_crystal_F_000             962
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.419
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         5987
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.1274
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0348P)²+1.9210P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0895
_refine_ls_wR_factor_ref         0.1128
_reflns_number_gt                3478
_reflns_number_total             5987
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202233f_si_002_1.cif
_cod_data_source_block           3_{CpCr[(XylNCMe)2CH]}2O
_cod_database_code               4327903
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.9174(6) 0.5279(3) 0.2393(3) 0.0257(14) Uani 1 1 d .
H1A H 0.9158 0.5786 0.2056 0.039 Uiso 1 1 calc R
H1B H 1.0222 0.5409 0.2642 0.039 Uiso 1 1 calc R
H1C H 0.8441 0.5257 0.2751 0.039 Uiso 1 1 calc R
C2 C 0.8712(6) 0.4330(4) 0.1978(3) 0.0201(13) Uani 1 1 d .
C3 C 0.9941(6) 0.4061(3) 0.1750(3) 0.0201(13) Uani 1 1 d .
H3 H 1.0926 0.4335 0.2018 0.024 Uiso 1 1 calc R
C4 C 0.9880(6) 0.3432(4) 0.1170(3) 0.0177(13) Uani 1 1 d .
C5 C 1.1390(5) 0.3535(4) 0.0861(3) 0.0253(14) Uani 1 1 d .
H5A H 1.1441 0.2903 0.0724 0.038 Uiso 1 1 calc R
H5B H 1.2257 0.3846 0.1225 0.038 Uiso 1 1 calc R
H5C H 1.1453 0.3924 0.0431 0.038 Uiso 1 1 calc R
C6 C 0.6125(6) 0.4344(3) 0.1903(3) 0.0213(13) Uani 1 1 d .
C7 C 0.6034(6) 0.5073(4) 0.1421(3) 0.0229(13) Uani 1 1 d .
C8 C 0.5059(6) 0.5591(4) 0.1544(3) 0.0305(15) Uani 1 1 d .
H8 H 0.5010 0.6090 0.1230 0.037 Uiso 1 1 calc R
C9 C 0.4148(6) 0.5412(4) 0.2110(3) 0.0314(15) Uani 1 1 d .
H9 H 0.3490 0.5785 0.2189 0.038 Uiso 1 1 calc R
C10 C 0.4210(6) 0.4683(4) 0.2556(3) 0.0284(14) Uani 1 1 d .
H10 H 0.3571 0.4549 0.2941 0.034 Uiso 1 1 calc R
C11 C 0.5185(6) 0.4134(4) 0.2460(3) 0.0225(13) Uani 1 1 d .
C12 C 0.6994(6) 0.5305(4) 0.0790(3) 0.0333(15) Uani 1 1 d .
H12A H 0.6398 0.4943 0.0355 0.050 Uiso 1 1 calc R
H12B H 0.7948 0.5134 0.0899 0.050 Uiso 1 1 calc R
H12C H 0.7259 0.5990 0.0705 0.050 Uiso 1 1 calc R
C13 C 0.5197(6) 0.3358(4) 0.2986(3) 0.0305(15) Uani 1 1 d .
H13A H 0.5831 0.2983 0.2822 0.046 Uiso 1 1 calc R
H13B H 0.4133 0.2941 0.3009 0.046 Uiso 1 1 calc R
H13C H 0.5634 0.3647 0.3467 0.046 Uiso 1 1 calc R
C14 C 0.8647(6) 0.2377(4) 0.0173(3) 0.0239(13) Uani 1 1 d .
C15 C 0.8909(6) 0.1499(4) 0.0125(3) 0.0317(15) Uani 1 1 d .
C16 C 0.8921(6) 0.1093(4) -0.0551(4) 0.0441(17) Uani 1 1 d .
H16 H 0.9057 0.0480 -0.0585 0.053 Uiso 1 1 calc R
C17 C 0.8739(7) 0.1573(5) -0.1171(4) 0.0495(18) Uani 1 1 d .
H17 H 0.8766 0.1295 -0.1631 0.059 Uiso 1 1 calc R
C18 C 0.8517(6) 0.2446(5) -0.1127(3) 0.0434(17) Uani 1 1 d .
H18 H 0.8389 0.2769 -0.1559 0.052 Uiso 1 1 calc R
C19 C 0.8477(6) 0.2871(4) -0.0462(3) 0.0278(14) Uani 1 1 d .
C20 C 0.9295(6) 0.1017(4) 0.0799(3) 0.0369(16) Uani 1 1 d .
H20A H 0.8957 0.0324 0.0705 0.055 Uiso 1 1 calc R
H20B H 0.8761 0.1170 0.1195 0.055 Uiso 1 1 calc R
H20C H 1.0418 0.1243 0.0935 0.055 Uiso 1 1 calc R
C21 C 0.8284(6) 0.3847(4) -0.0419(3) 0.0393(16) Uani 1 1 d .
H21A H 0.8376 0.4131 -0.0896 0.059 Uiso 1 1 calc R
H21B H 0.9090 0.4253 -0.0064 0.059 Uiso 1 1 calc R
H21C H 0.7259 0.3794 -0.0268 0.059 Uiso 1 1 calc R
C22 C 0.4351(6) 0.1242(4) 0.1305(3) 0.0259(14) Uani 1 1 d .
H22 H 0.4148 0.0741 0.1638 0.031 Uiso 1 1 calc R
C23 C 0.5029(6) 0.1245(4) 0.0665(3) 0.0257(14) Uani 1 1 d .
H23 H 0.5387 0.0753 0.0487 0.031 Uiso 1 1 calc R
C24 C 0.5090(6) 0.2108(4) 0.0327(3) 0.0284(14) Uani 1 1 d .
H24 H 0.5487 0.2296 -0.0123 0.034 Uiso 1 1 calc R
C25 C 0.4475(6) 0.2633(4) 0.0761(3) 0.0288(15) Uani 1 1 d .
H25 H 0.4376 0.3244 0.0660 0.035 Uiso 1 1 calc R
C26 C 0.4019(6) 0.2107(4) 0.1377(3) 0.0280(14) Uani 1 1 d .
H26 H 0.3571 0.2301 0.1768 0.034 Uiso 1 1 calc R
C27 C 0.5003(6) 0.1930(4) 0.4337(3) 0.0322(15) Uani 1 1 d .
H27A H 0.5027 0.1614 0.4800 0.048 Uiso 1 1 calc R
H27B H 0.3925 0.1857 0.4154 0.048 Uiso 1 1 calc R
H27C H 0.5584 0.2610 0.4409 0.048 Uiso 1 1 calc R
C28 C 0.5739(6) 0.1476(4) 0.3791(3) 0.0232(14) Uani 1 1 d .
C29 C 0.4727(6) 0.0737(4) 0.3355(3) 0.0243(14) Uani 1 1 d .
H29 H 0.3676 0.0729 0.3277 0.029 Uiso 1 1 calc R
C30 C 0.5114(6) 0.0000(4) 0.3017(3) 0.0254(14) Uani 1 1 d .
C31 C 0.3815(6) -0.0924(4) 0.2848(3) 0.0391(16) Uani 1 1 d .
H31A H 0.3911 -0.1190 0.2376 0.059 Uiso 1 1 calc R
H31B H 0.2814 -0.0802 0.2835 0.059 Uiso 1 1 calc R
H31C H 0.3878 -0.1380 0.3224 0.059 Uiso 1 1 calc R
C32 C 0.8196(6) 0.2278(4) 0.4426(3) 0.0226(13) Uani 1 1 d .
C33 C 0.8253(6) 0.1801(4) 0.5078(3) 0.0283(14) Uani 1 1 d .
C34 C 0.9188(7) 0.2291(5) 0.5675(3) 0.0370(16) Uani 1 1 d .
H34 H 0.9220 0.1970 0.6117 0.044 Uiso 1 1 calc R
C35 C 1.0079(7) 0.3234(5) 0.5650(3) 0.0411(17) Uani 1 1 d .
H35 H 1.0730 0.3558 0.6064 0.049 Uiso 1 1 calc R
C36 C 1.0003(6) 0.3694(4) 0.5010(3) 0.0352(15) Uani 1 1 d .
H36 H 1.0613 0.4342 0.4985 0.042 Uiso 1 1 calc R
C37 C 0.9055(6) 0.3232(4) 0.4399(3) 0.0270(14) Uani 1 1 d .
C38 C 0.7362(6) 0.0755(4) 0.5144(3) 0.0412(17) Uani 1 1 d .
H38A H 0.8076 0.0416 0.5339 0.062 Uiso 1 1 calc R
H38B H 0.6877 0.0478 0.4664 0.062 Uiso 1 1 calc R
H38C H 0.6557 0.0696 0.5470 0.062 Uiso 1 1 calc R
C39 C 0.9013(6) 0.3816(4) 0.3733(3) 0.0338(15) Uani 1 1 d .
H39A H 0.8656 0.3388 0.3302 0.051 Uiso 1 1 calc R
H39B H 1.0056 0.4249 0.3687 0.051 Uiso 1 1 calc R
H39C H 0.8301 0.4189 0.3780 0.051 Uiso 1 1 calc R
C40 C 0.6841(6) -0.0806(3) 0.2660(3) 0.0238(14) Uani 1 1 d .
C41 C 0.6765(6) -0.1038(4) 0.1921(3) 0.0276(14) Uani 1 1 d .
C42 C 0.7206(6) -0.1805(4) 0.1709(3) 0.0383(16) Uani 1 1 d .
H42 H 0.7192 -0.1949 0.1208 0.046 Uiso 1 1 calc R
C43 C 0.7673(7) -0.2367(4) 0.2223(4) 0.0476(18) Uani 1 1 d .
H43 H 0.8007 -0.2884 0.2077 0.057 Uiso 1 1 calc R
C44 C 0.7647(7) -0.2170(4) 0.2945(4) 0.0426(17) Uani 1 1 d .
H44 H 0.7925 -0.2574 0.3294 0.051 Uiso 1 1 calc R
C45 C 0.7228(6) -0.1399(4) 0.3178(3) 0.0325(15) Uani 1 1 d .
C46 C 0.6125(6) -0.0489(4) 0.1361(3) 0.0338(15) Uani 1 1 d .
H46A H 0.6450 -0.0598 0.0888 0.051 Uiso 1 1 calc R
H46B H 0.6519 0.0194 0.1496 0.051 Uiso 1 1 calc R
H46C H 0.4990 -0.0704 0.1333 0.051 Uiso 1 1 calc R
C47 C 0.7216(7) -0.1206(4) 0.3980(3) 0.0458(17) Uani 1 1 d .
H47A H 0.7596 -0.1666 0.4259 0.069 Uiso 1 1 calc R
H47B H 0.6154 -0.1270 0.4084 0.069 Uiso 1 1 calc R
H47C H 0.7889 -0.0557 0.4117 0.069 Uiso 1 1 calc R
C48 C 1.0634(6) 0.1882(4) 0.2529(3) 0.0312(15) Uani 1 1 d .
H48 H 1.0767 0.2239 0.2102 0.037 Uiso 1 1 calc R
C49 C 1.0236(6) 0.0879(4) 0.2557(3) 0.0302(15) Uani 1 1 d .
H49 H 1.0039 0.0441 0.2154 0.036 Uiso 1 1 calc R
C50 C 1.0185(6) 0.0648(4) 0.3287(3) 0.0336(15) Uani 1 1 d .
H50 H 0.9962 0.0022 0.3467 0.040 Uiso 1 1 calc R
C51 C 1.0516(6) 0.1483(5) 0.3703(3) 0.0381(16) Uani 1 1 d .
H51 H 1.0549 0.1529 0.4216 0.046 Uiso 1 1 calc R
C52 C 1.0797(6) 0.2258(4) 0.3232(4) 0.0364(16) Uani 1 1 d .
H52 H 1.1051 0.2914 0.3371 0.044 Uiso 1 1 calc R
C53 C 0.4385(7) 0.5188(4) 0.4804(3) 0.0539(19) Uani 1 1 d .
H53A H 0.3628 0.4658 0.4505 0.065 Uiso 1 1 calc R
H53B H 0.3820 0.5395 0.5170 0.065 Uiso 1 1 calc R
C54 C 0.5008(8) 0.6006(5) 0.4324(4) 0.0573(19) Uani 1 1 d .
H54A H 0.5560 0.5798 0.3953 0.069 Uiso 1 1 calc R
H54B H 0.5772 0.6535 0.4620 0.069 Uiso 1 1 calc R
C55 C 0.3760(8) 0.6378(5) 0.3943(4) 0.067(2) Uani 1 1 d .
H55A H 0.2971 0.5853 0.3666 0.101 Uiso 1 1 calc R
H55B H 0.4232 0.6876 0.3613 0.101 Uiso 1 1 calc R
H55C H 0.3276 0.6645 0.4305 0.101 Uiso 1 1 calc R
N1 N 0.7236(5) 0.3827(3) 0.1804(2) 0.0199(10) Uani 1 1 d .
N2 N 0.8581(5) 0.2806(3) 0.0872(2) 0.0189(10) Uani 1 1 d .
N3 N 0.7290(5) 0.1759(3) 0.3790(2) 0.0230(11) Uani 1 1 d .
N4 N 0.6557(5) 0.0058(3) 0.2884(2) 0.0227(11) Uani 1 1 d .
Cr1 Cr 0.66394(9) 0.24444(6) 0.14166(4) 0.0199(2) Uani 1 1 d .
Cr2 Cr 0.82591(9) 0.13579(6) 0.29413(4) 0.0221(3) Uani 1 1 d .
O1 O 0.7417(4) 0.1935(2) 0.22092(17) 0.0197(8) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 C3 122.9(5) . .
N1 C2 C1 121.7(4) . .
C3 C2 C1 115.2(5) . .
C2 C3 C4 127.2(5) . .
C2 C3 H3 116.4 . .
C4 C3 H3 116.4 . .
N2 C4 C3 123.6(5) . .
N2 C4 C5 120.1(5) . .
C3 C4 C5 116.3(5) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C11 C6 C7 120.2(5) . .
C11 C6 N1 120.9(4) . .
C7 C6 N1 119.0(4) . .
C8 C7 C6 118.5(5) . .
C8 C7 C12 119.3(5) . .
C6 C7 C12 122.2(5) . .
C7 C8 C9 122.1(5) . .
C7 C8 H8 119.0 . .
C9 C8 H8 119.0 . .
C10 C9 C8 118.7(5) . .
C10 C9 H9 120.7 . .
C8 C9 H9 120.7 . .
C9 C10 C11 121.9(5) . .
C9 C10 H10 119.0 . .
C11 C10 H10 119.0 . .
C6 C11 C10 118.6(5) . .
C6 C11 C13 123.2(5) . .
C10 C11 C13 118.2(5) . .
C7 C12 H12A 109.5 . .
C7 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C7 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 C14 C19 119.8(5) . .
C15 C14 N2 120.9(5) . .
C19 C14 N2 119.3(5) . .
C16 C15 C14 119.7(5) . .
C16 C15 C20 119.5(5) . .
C14 C15 C20 120.6(5) . .
C17 C16 C15 120.3(6) . .
C17 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
C18 C17 C16 120.2(6) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C17 C18 C19 121.2(6) . .
C17 C18 H18 119.4 . .
C19 C18 H18 119.4 . .
C18 C19 C14 118.7(5) . .
C18 C19 C21 120.7(5) . .
C14 C19 C21 120.6(5) . .
C15 C20 H20A 109.5 . .
C15 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C15 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 C26 108.4(5) . .
C23 C22 Cr1 72.5(3) . .
C26 C22 Cr1 72.2(3) . .
C23 C22 H22 125.8 . .
C26 C22 H22 125.8 . .
Cr1 C22 H22 121.2 . .
C22 C23 C24 107.7(5) . .
C22 C23 Cr1 71.9(3) . .
C24 C23 Cr1 73.2(3) . .
C22 C23 H23 126.2 . .
C24 C23 H23 126.2 . .
Cr1 C23 H23 120.5 . .
C25 C24 C23 108.4(5) . .
C25 C24 Cr1 72.5(3) . .
C23 C24 Cr1 71.1(3) . .
C25 C24 H24 125.8 . .
C23 C24 H24 125.8 . .
Cr1 C24 H24 122.3 . .
C24 C25 C26 108.3(5) . .
C24 C25 Cr1 72.6(3) . .
C26 C25 Cr1 71.0(3) . .
C24 C25 H25 125.8 . .
C26 C25 H25 125.8 . .
Cr1 C25 H25 122.2 . .
C22 C26 C25 107.3(5) . .
C22 C26 Cr1 71.8(3) . .
C25 C26 Cr1 73.2(3) . .
C22 C26 H26 126.4 . .
C25 C26 H26 126.4 . .
Cr1 C26 H26 120.4 . .
C28 C27 H27A 109.5 . .
C28 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C28 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N3 C28 C29 124.3(5) . .
N3 C28 C27 119.8(5) . .
C29 C28 C27 115.7(5) . .
C28 C29 C30 125.8(5) . .
C28 C29 H29 117.1 . .
C30 C29 H29 117.1 . .
N4 C30 C29 123.8(5) . .
N4 C30 C31 119.7(5) . .
C29 C30 C31 116.4(5) . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C37 C32 C33 119.6(5) . .
C37 C32 N3 120.9(5) . .
C33 C32 N3 119.5(5) . .
C34 C33 C32 119.1(5) . .
C34 C33 C38 118.5(5) . .
C32 C33 C38 122.4(5) . .
C33 C34 C35 121.9(5) . .
C33 C34 H34 119.1 . .
C35 C34 H34 119.1 . .
C36 C35 C34 118.4(6) . .
C36 C35 H35 120.8 . .
C34 C35 H35 120.8 . .
C35 C36 C37 121.6(5) . .
C35 C36 H36 119.2 . .
C37 C36 H36 119.2 . .
C32 C37 C36 119.4(5) . .
C32 C37 C39 123.4(5) . .
C36 C37 C39 117.2(5) . .
C33 C38 H38A 109.5 . .
C33 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C33 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C45 C40 C41 119.9(5) . .
C45 C40 N4 120.1(5) . .
C41 C40 N4 119.9(4) . .
C42 C41 C40 119.8(5) . .
C42 C41 C46 119.8(5) . .
C40 C41 C46 120.4(5) . .
C41 C42 C43 120.3(6) . .
C41 C42 H42 119.9 . .
C43 C42 H42 119.9 . .
C44 C43 C42 119.4(6) . .
C44 C43 H43 120.3 . .
C42 C43 H43 120.3 . .
C43 C44 C45 121.8(6) . .
C43 C44 H44 119.1 . .
C45 C44 H44 119.1 . .
C44 C45 C40 118.5(6) . .
C44 C45 C47 120.1(5) . .
C40 C45 C47 121.4(5) . .
C41 C46 H46A 109.5 . .
C41 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C41 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C45 C47 H47A 109.5 . .
C45 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C45 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C52 C48 C49 108.4(5) . .
C52 C48 Cr2 73.1(3) . .
C49 C48 Cr2 73.0(3) . .
C52 C48 H48 125.8 . .
C49 C48 H48 125.8 . .
Cr2 C48 H48 119.9 . .
C50 C49 C48 107.4(5) . .
C50 C49 Cr2 74.4(3) . .
C48 C49 Cr2 71.0(3) . .
C50 C49 H49 126.3 . .
C48 C49 H49 126.3 . .
Cr2 C49 H49 120.1 . .
C51 C50 C49 108.6(5) . .
C51 C50 Cr2 72.4(3) . .
C49 C50 Cr2 70.5(3) . .
C51 C50 H50 125.7 . .
C49 C50 H50 125.7 . .
Cr2 C50 H50 123.0 . .
C50 C51 C52 108.2(5) . .
C50 C51 Cr2 73.2(3) . .
C52 C51 Cr2 70.5(3) . .
C50 C51 H51 125.9 . .
C52 C51 H51 125.9 . .
Cr2 C51 H51 122.0 . .
C48 C52 C51 107.4(5) . .
C48 C52 Cr2 71.4(3) . .
C51 C52 Cr2 73.8(3) . .
C48 C52 H52 126.3 . .
C51 C52 H52 126.3 . .
Cr2 C52 H52 120.3 . .
C54 C53 C53 114.5(7) . 2_666
C54 C53 H53A 108.6 . .
C53 C53 H53A 108.6 2_666 .
C54 C53 H53B 108.6 . .
C53 C53 H53B 108.6 2_666 .
H53A C53 H53B 107.6 . .
C53 C54 C55 113.7(5) . .
C53 C54 H54A 108.8 . .
C55 C54 H54A 108.8 . .
C53 C54 H54B 108.8 . .
C55 C54 H54B 108.8 . .
H54A C54 H54B 107.7 . .
C54 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C54 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C2 N1 C6 114.8(4) . .
C2 N1 Cr1 120.7(3) . .
C6 N1 Cr1 124.4(3) . .
C4 N2 C14 116.5(4) . .
C4 N2 Cr1 120.0(3) . .
C14 N2 Cr1 123.5(3) . .
C28 N3 C32 117.0(4) . .
C28 N3 Cr2 119.8(3) . .
C32 N3 Cr2 123.0(3) . .
C30 N4 C40 117.8(4) . .
C30 N4 Cr2 120.3(3) . .
C40 N4 Cr2 121.8(3) . .
O1 Cr1 N1 98.43(15) . .
O1 Cr1 N2 98.15(15) . .
N1 Cr1 N2 89.14(16) . .
O1 Cr1 C22 92.97(17) . .
N1 Cr1 C22 132.14(18) . .
N2 Cr1 C22 135.00(19) . .
O1 Cr1 C26 111.27(18) . .
N1 Cr1 C26 97.52(18) . .
N2 Cr1 C26 148.36(18) . .
C22 Cr1 C26 35.98(17) . .
O1 Cr1 C23 109.54(17) . .
N1 Cr1 C23 148.65(17) . .
N2 Cr1 C23 100.29(18) . .
C22 Cr1 C23 35.58(17) . .
C26 Cr1 C23 59.69(19) . .
O1 Cr1 C25 147.07(18) . .
N1 Cr1 C25 89.69(18) . .
N2 Cr1 C25 113.91(18) . .
C22 Cr1 C25 59.33(19) . .
C26 Cr1 C25 35.82(17) . .
C23 Cr1 C25 59.11(19) . .
O1 Cr1 C24 145.29(17) . .
N1 Cr1 C24 115.45(17) . .
N2 Cr1 C24 90.06(18) . .
C22 Cr1 C24 59.15(19) . .
C26 Cr1 C24 59.13(19) . .
C23 Cr1 C24 35.77(17) . .
C25 Cr1 C24 34.83(17) . .
O1 Cr2 N3 99.03(15) . .
O1 Cr2 N4 98.66(15) . .
N3 Cr2 N4 88.96(17) . .
O1 Cr2 C48 91.50(17) . .
N3 Cr2 C48 134.2(2) . .
N4 Cr2 C48 133.4(2) . .
O1 Cr2 C52 108.22(19) . .
N3 Cr2 C52 99.7(2) . .
N4 Cr2 C52 149.89(19) . .
C48 Cr2 C52 35.46(18) . .
O1 Cr2 C49 110.37(18) . .
N3 Cr2 C49 147.81(19) . .
N4 Cr2 C49 98.98(19) . .
C48 Cr2 C49 35.99(17) . .
C52 Cr2 C49 59.4(2) . .
O1 Cr2 C51 143.89(19) . .
N3 Cr2 C51 90.07(19) . .
N4 Cr2 C51 116.5(2) . .
C48 Cr2 C51 58.8(2) . .
C52 Cr2 C51 35.67(18) . .
C49 Cr2 C51 58.4(2) . .
O1 Cr2 C50 145.42(18) . .
N3 Cr2 C50 114.21(19) . .
N4 Cr2 C50 91.52(18) . .
C48 Cr2 C50 58.77(19) . .
C52 Cr2 C50 58.6(2) . .
C49 Cr2 C50 35.10(17) . .
C51 Cr2 C50 34.40(18) . .
Cr1 O1 Cr2 174.5(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.513(6) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 N1 1.327(6) .
C2 C3 1.396(6) .
C3 C4 1.402(6) .
C3 H3 0.9500 .
C4 N2 1.323(6) .
C4 C5 1.506(6) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C11 1.382(6) .
C6 C7 1.418(7) .
C6 N1 1.464(6) .
C7 C8 1.371(7) .
C7 C12 1.507(6) .
C8 C9 1.377(7) .
C8 H8 0.9500 .
C9 C10 1.370(7) .
C9 H9 0.9500 .
C10 C11 1.395(6) .
C10 H10 0.9500 .
C11 C13 1.508(7) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.389(7) .
C14 C19 1.409(7) .
C14 N2 1.455(6) .
C15 C16 1.388(7) .
C15 C20 1.506(7) .
C16 C17 1.377(8) .
C16 H16 0.9500 .
C17 C18 1.366(8) .
C17 H17 0.9500 .
C18 C19 1.388(7) .
C18 H18 0.9500 .
C19 C21 1.504(7) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.391(7) .
C22 C26 1.405(7) .
C22 Cr1 2.272(5) .
C22 H22 0.9500 .
C23 C24 1.409(7) .
C23 Cr1 2.279(5) .
C23 H23 0.9500 .
C24 C25 1.380(7) .
C24 Cr1 2.307(5) .
C24 H24 0.9500 .
C25 C26 1.409(7) .
C25 Cr1 2.305(5) .
C25 H25 0.9500 .
C26 Cr1 2.276(5) .
C26 H26 0.9500 .
C27 C28 1.523(6) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 N3 1.345(6) .
C28 C29 1.384(7) .
C29 C30 1.402(7) .
C29 H29 0.9500 .
C30 N4 1.338(6) .
C30 C31 1.511(7) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 C37 1.387(7) .
C32 C33 1.406(7) .
C32 N3 1.439(6) .
C33 C34 1.379(7) .
C33 C38 1.517(7) .
C34 C35 1.380(7) .
C34 H34 0.9500 .
C35 C36 1.377(7) .
C35 H35 0.9500 .
C36 C37 1.389(7) .
C36 H36 0.9500 .
C37 C39 1.513(7) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 C45 1.395(7) .
C40 C41 1.400(7) .
C40 N4 1.440(6) .
C41 C42 1.377(7) .
C41 C46 1.501(7) .
C42 C43 1.387(8) .
C42 H42 0.9500 .
C43 C44 1.372(8) .
C43 H43 0.9500 .
C44 C45 1.384(7) .
C44 H44 0.9500 .
C45 C47 1.514(7) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 C52 1.390(7) .
C48 C49 1.411(7) .
C48 Cr2 2.271(5) .
C48 H48 0.9500 .
C49 C50 1.400(7) .
C49 Cr2 2.296(5) .
C49 H49 0.9500 .
C50 C51 1.384(7) .
C50 Cr2 2.345(5) .
C50 H50 0.9500 .
C51 C52 1.418(7) .
C51 Cr2 2.335(5) .
C51 H51 0.9500 .
C52 Cr2 2.293(5) .
C52 H52 0.9500 .
C53 C54 1.503(8) .
C53 C53 1.522(11) 2_666
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 C55 1.523(8) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
N1 Cr1 2.046(4) .
N2 Cr1 2.051(4) .
N3 Cr2 2.046(4) .
N4 Cr2 2.055(4) .
Cr1 O1 1.834(3) .
Cr2 O1 1.834(3) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
N1 C2 C3 C4 19.5(8) .
C1 C2 C3 C4 -156.1(5) .
C2 C3 C4 N2 -18.8(8) .
C2 C3 C4 C5 157.8(5) .
C11 C6 C7 C8 3.4(8) .
N1 C6 C7 C8 -176.1(4) .
C11 C6 C7 C12 -177.8(5) .
N1 C6 C7 C12 2.7(7) .
C6 C7 C8 C9 -1.4(8) .
C12 C7 C8 C9 179.8(5) .
C7 C8 C9 C10 -0.8(8) .
C8 C9 C10 C11 1.1(8) .
C7 C6 C11 C10 -3.1(8) .
N1 C6 C11 C10 176.4(4) .
C7 C6 C11 C13 178.9(5) .
N1 C6 C11 C13 -1.6(8) .
C9 C10 C11 C6 0.8(8) .
C9 C10 C11 C13 178.9(5) .
C19 C14 C15 C16 -3.3(8) .
N2 C14 C15 C16 178.1(5) .
C19 C14 C15 C20 172.2(5) .
N2 C14 C15 C20 -6.4(8) .
C14 C15 C16 C17 2.6(8) .
C20 C15 C16 C17 -172.9(5) .
C15 C16 C17 C18 -1.1(9) .
C16 C17 C18 C19 0.2(9) .
C17 C18 C19 C14 -0.9(8) .
C17 C18 C19 C21 178.0(5) .
C15 C14 C19 C18 2.4(8) .
N2 C14 C19 C18 -179.0(5) .
C15 C14 C19 C21 -176.5(5) .
N2 C14 C19 C21 2.1(7) .
C26 C22 C23 C24 -1.2(6) .
Cr1 C22 C23 C24 -64.9(4) .
C26 C22 C23 Cr1 63.7(4) .
C22 C23 C24 C25 0.8(6) .
Cr1 C23 C24 C25 -63.4(4) .
C22 C23 C24 Cr1 64.1(3) .
C23 C24 C25 C26 0.0(6) .
Cr1 C24 C25 C26 -62.4(4) .
C23 C24 C25 Cr1 62.4(4) .
C23 C22 C26 C25 1.2(6) .
Cr1 C22 C26 C25 65.2(4) .
C23 C22 C26 Cr1 -63.9(4) .
C24 C25 C26 C22 -0.8(6) .
Cr1 C25 C26 C22 -64.2(4) .
C24 C25 C26 Cr1 63.5(4) .
N3 C28 C29 C30 20.3(8) .
C27 C28 C29 C30 -155.1(5) .
C28 C29 C30 N4 -21.5(8) .
C28 C29 C30 C31 154.4(5) .
C37 C32 C33 C34 -1.2(8) .
N3 C32 C33 C34 176.7(5) .
C37 C32 C33 C38 -179.1(5) .
N3 C32 C33 C38 -1.3(8) .
C32 C33 C34 C35 -0.5(8) .
C38 C33 C34 C35 177.5(5) .
C33 C34 C35 C36 1.0(9) .
C34 C35 C36 C37 0.2(9) .
C33 C32 C37 C36 2.3(7) .
N3 C32 C37 C36 -175.5(5) .
C33 C32 C37 C39 -177.2(5) .
N3 C32 C37 C39 5.0(8) .
C35 C36 C37 C32 -1.8(8) .
C35 C36 C37 C39 177.7(5) .
C45 C40 C41 C42 -5.8(8) .
N4 C40 C41 C42 172.7(5) .
C45 C40 C41 C46 171.0(5) .
N4 C40 C41 C46 -10.6(7) .
C40 C41 C42 C43 2.3(8) .
C46 C41 C42 C43 -174.5(5) .
C41 C42 C43 C44 1.9(9) .
C42 C43 C44 C45 -2.7(9) .
C43 C44 C45 C40 -0.7(9) .
C43 C44 C45 C47 -180.0(5) .
C41 C40 C45 C44 4.9(8) .
N4 C40 C45 C44 -173.5(5) .
C41 C40 C45 C47 -175.8(5) .
N4 C40 C45 C47 5.8(8) .
C52 C48 C49 C50 -1.0(6) .
Cr2 C48 C49 C50 -66.0(4) .
C52 C48 C49 Cr2 65.0(4) .
C48 C49 C50 C51 1.0(6) .
Cr2 C49 C50 C51 -62.8(4) .
C48 C49 C50 Cr2 63.8(3) .
C49 C50 C51 C52 -0.6(6) .
Cr2 C50 C51 C52 -62.2(4) .
C49 C50 C51 Cr2 61.6(4) .
C49 C48 C52 C51 0.6(6) .
Cr2 C48 C52 C51 65.6(4) .
C49 C48 C52 Cr2 -64.9(4) .
C50 C51 C52 C48 0.0(6) .
Cr2 C51 C52 C48 -64.0(4) .
C50 C51 C52 Cr2 64.0(4) .
C53 C53 C54 C55 -179.4(7) 2_666
C3 C2 N1 C6 -162.9(4) .
C1 C2 N1 C6 12.4(6) .
C3 C2 N1 Cr1 16.4(6) .
C1 C2 N1 Cr1 -168.3(3) .
C11 C6 N1 C2 -108.0(5) .
C7 C6 N1 C2 71.5(6) .
C11 C6 N1 Cr1 72.8(6) .
C7 C6 N1 Cr1 -107.7(5) .
C3 C4 N2 C14 165.2(4) .
C5 C4 N2 C14 -11.3(6) .
C3 C4 N2 Cr1 -17.4(6) .
C5 C4 N2 Cr1 166.1(3) .
C15 C14 N2 C4 95.4(6) .
C19 C14 N2 C4 -83.2(6) .
C15 C14 N2 Cr1 -81.8(5) .
C19 C14 N2 Cr1 99.5(5) .
C29 C28 N3 C32 -158.3(5) .
C27 C28 N3 C32 17.0(6) .
C29 C28 N3 Cr2 16.9(7) .
C27 C28 N3 Cr2 -167.8(3) .
C37 C32 N3 C28 -112.8(5) .
C33 C32 N3 C28 69.4(6) .
C37 C32 N3 Cr2 72.1(5) .
C33 C32 N3 Cr2 -105.7(5) .
C29 C30 N4 C40 168.6(5) .
C31 C30 N4 C40 -7.1(7) .
C29 C30 N4 Cr2 -14.9(7) .
C31 C30 N4 Cr2 169.4(3) .
C45 C40 N4 C30 -87.6(6) .
C41 C40 N4 C30 93.9(6) .
C45 C40 N4 Cr2 95.9(5) .
C41 C40 N4 Cr2 -82.5(5) .
C2 N1 Cr1 O1 61.7(4) .
C6 N1 Cr1 O1 -119.1(4) .
C2 N1 Cr1 N2 -36.4(4) .
C6 N1 Cr1 N2 142.7(4) .
C2 N1 Cr1 C22 163.5(3) .
C6 N1 Cr1 C22 -17.3(5) .
C2 N1 Cr1 C26 174.6(4) .
C6 N1 Cr1 C26 -6.2(4) .
C2 N1 Cr1 C23 -145.0(4) .
C6 N1 Cr1 C23 34.2(6) .
C2 N1 Cr1 C25 -150.3(4) .
C6 N1 Cr1 C25 28.8(4) .
C2 N1 Cr1 C24 -126.1(4) .
C6 N1 Cr1 C24 53.1(4) .
C4 N2 Cr1 O1 -61.7(4) .
C14 N2 Cr1 O1 115.5(4) .
C4 N2 Cr1 N1 36.7(4) .
C14 N2 Cr1 N1 -146.1(4) .
C4 N2 Cr1 C22 -164.2(3) .
C14 N2 Cr1 C22 13.0(5) .
C4 N2 Cr1 C26 139.7(4) .
C14 N2 Cr1 C26 -43.1(5) .
C4 N2 Cr1 C23 -173.3(4) .
C14 N2 Cr1 C23 3.9(4) .
C4 N2 Cr1 C25 126.0(4) .
C14 N2 Cr1 C25 -56.8(4) .
C4 N2 Cr1 C24 152.2(4) .
C14 N2 Cr1 C24 -30.6(4) .
C23 C22 Cr1 O1 -120.2(3) .
C26 C22 Cr1 O1 123.1(3) .
C23 C22 Cr1 N1 135.6(3) .
C26 C22 Cr1 N1 19.0(4) .
C23 C22 Cr1 N2 -15.6(4) .
C26 C22 Cr1 N2 -132.2(3) .
C23 C22 Cr1 C26 116.7(5) .
C26 C22 Cr1 C23 -116.7(5) .
C23 C22 Cr1 C25 78.6(3) .
C26 C22 Cr1 C25 -38.0(3) .
C23 C22 Cr1 C24 37.9(3) .
C26 C22 Cr1 C24 -78.8(3) .
C22 C26 Cr1 O1 -63.8(3) .
C25 C26 Cr1 O1 -179.0(3) .
C22 C26 Cr1 N1 -165.9(3) .
C25 C26 Cr1 N1 78.9(3) .
C22 C26 Cr1 N2 93.4(4) .
C25 C26 Cr1 N2 -21.8(5) .
C25 C26 Cr1 C22 -115.2(5) .
C22 C26 Cr1 C23 37.0(3) .
C25 C26 Cr1 C23 -78.1(3) .
C22 C26 Cr1 C25 115.2(5) .
C22 C26 Cr1 C24 78.8(3) .
C25 C26 Cr1 C24 -36.3(3) .
C22 C23 Cr1 O1 66.3(3) .
C24 C23 Cr1 O1 -178.1(3) .
C22 C23 Cr1 N1 -85.5(4) .
C24 C23 Cr1 N1 30.1(5) .
C22 C23 Cr1 N2 168.9(3) .
C24 C23 Cr1 N2 -75.5(3) .
C24 C23 Cr1 C22 115.6(5) .
C22 C23 Cr1 C26 -37.5(3) .
C24 C23 Cr1 C26 78.1(3) .
C22 C23 Cr1 C25 -79.3(3) .
C24 C23 Cr1 C25 36.3(3) .
C22 C23 Cr1 C24 -115.6(5) .
C24 C25 Cr1 O1 -115.4(4) .
C26 C25 Cr1 O1 1.8(5) .
C24 C25 Cr1 N1 139.5(3) .
C26 C25 Cr1 N1 -103.4(3) .
C24 C25 Cr1 N2 50.6(4) .
C26 C25 Cr1 N2 167.7(3) .
C24 C25 Cr1 C22 -79.0(3) .
C26 C25 Cr1 C22 38.2(3) .
C24 C25 Cr1 C26 -117.1(5) .
C24 C25 Cr1 C23 -37.3(3) .
C26 C25 Cr1 C23 79.9(3) .
C26 C25 Cr1 C24 117.1(5) .
C25 C24 Cr1 O1 120.4(4) .
C23 C24 Cr1 O1 3.2(5) .
C25 C24 Cr1 N1 -46.0(4) .
C23 C24 Cr1 N1 -163.2(3) .
C25 C24 Cr1 N2 -135.1(3) .
C23 C24 Cr1 N2 107.7(3) .
C25 C24 Cr1 C22 79.5(3) .
C23 C24 Cr1 C22 -37.7(3) .
C25 C24 Cr1 C26 37.4(3) .
C23 C24 Cr1 C26 -79.9(3) .
C25 C24 Cr1 C23 117.2(5) .
C23 C24 Cr1 C25 -117.2(5) .
C28 N3 Cr2 O1 61.8(4) .
C32 N3 Cr2 O1 -123.3(4) .
C28 N3 Cr2 N4 -36.8(4) .
C32 N3 Cr2 N4 138.1(4) .
C28 N3 Cr2 C48 162.8(3) .
C32 N3 Cr2 C48 -22.2(5) .
C28 N3 Cr2 C52 172.2(4) .
C32 N3 Cr2 C52 -12.9(4) .
C28 N3 Cr2 C49 -142.1(4) .
C32 N3 Cr2 C49 32.8(6) .
C28 N3 Cr2 C51 -153.3(4) .
C32 N3 Cr2 C51 21.6(4) .
C28 N3 Cr2 C50 -128.0(4) .
C32 N3 Cr2 C50 46.9(4) .
C30 N4 Cr2 O1 -63.0(4) .
C40 N4 Cr2 O1 113.3(4) .
C30 N4 Cr2 N3 35.9(4) .
C40 N4 Cr2 N3 -147.7(4) .
C30 N4 Cr2 C48 -163.4(4) .
C40 N4 Cr2 C48 12.9(5) .
C30 N4 Cr2 C52 143.7(4) .
C40 N4 Cr2 C52 -39.9(6) .
C30 N4 Cr2 C49 -175.4(4) .
C40 N4 Cr2 C49 1.0(4) .
C30 N4 Cr2 C51 125.5(4) .
C40 N4 Cr2 C51 -58.1(4) .
C30 N4 Cr2 C50 150.1(4) .
C40 N4 Cr2 C50 -33.5(4) .
C52 C48 Cr2 O1 120.2(3) .
C49 C48 Cr2 O1 -123.8(3) .
C52 C48 Cr2 N3 16.0(5) .
C49 C48 Cr2 N3 132.0(3) .
C52 C48 Cr2 N4 -136.4(3) .
C49 C48 Cr2 N4 -20.4(5) .
C49 C48 Cr2 C52 116.0(5) .
C52 C48 Cr2 C49 -116.0(5) .
C52 C48 Cr2 C51 -38.1(3) .
C49 C48 Cr2 C51 78.0(4) .
C52 C48 Cr2 C50 -78.5(4) .
C49 C48 Cr2 C50 37.5(3) .
C48 C52 Cr2 O1 -65.5(4) .
C51 C52 Cr2 O1 179.3(3) .
C48 C52 Cr2 N3 -168.4(3) .
C51 C52 Cr2 N3 76.3(4) .
C48 C52 Cr2 N4 86.6(5) .
C51 C52 Cr2 N4 -28.6(6) .
C51 C52 Cr2 C48 -115.2(5) .
C48 C52 Cr2 C49 37.9(3) .
C51 C52 Cr2 C49 -77.4(4) .
C48 C52 Cr2 C51 115.2(5) .
C48 C52 Cr2 C50 79.1(4) .
C51 C52 Cr2 C50 -36.2(3) .
C50 C49 Cr2 O1 177.5(3) .
C48 C49 Cr2 O1 62.4(4) .
C50 C49 Cr2 N3 22.8(5) .
C48 C49 Cr2 N3 -92.3(5) .
C50 C49 Cr2 N4 -79.7(4) .
C48 C49 Cr2 N4 165.2(3) .
C50 C49 Cr2 C48 115.1(5) .
C50 C49 Cr2 C52 77.8(4) .
C48 C49 Cr2 C52 -37.3(3) .
C50 C49 Cr2 C51 35.9(3) .
C48 C49 Cr2 C51 -79.2(4) .
C48 C49 Cr2 C50 -115.1(5) .
C50 C51 Cr2 O1 -118.1(4) .
C52 C51 Cr2 O1 -1.2(6) .
C50 C51 Cr2 N3 136.4(4) .
C52 C51 Cr2 N3 -106.7(4) .
C50 C51 Cr2 N4 47.5(4) .
C52 C51 Cr2 N4 164.4(3) .
C50 C51 Cr2 C48 -79.1(4) .
C52 C51 Cr2 C48 37.8(3) .
C50 C51 Cr2 C52 -116.9(5) .
C50 C51 Cr2 C49 -36.7(3) .
C52 C51 Cr2 C49 80.2(4) .
C52 C51 Cr2 C50 116.9(5) .
C51 C50 Cr2 O1 113.6(4) .
C49 C50 Cr2 O1 -4.1(5) .
C51 C50 Cr2 N3 -49.1(4) .
C49 C50 Cr2 N3 -166.9(3) .
C51 C50 Cr2 N4 -138.7(4) .
C49 C50 Cr2 N4 103.5(3) .
C51 C50 Cr2 C48 79.3(4) .
C49 C50 Cr2 C48 -38.5(3) .
C51 C50 Cr2 C52 37.5(3) .
C49 C50 Cr2 C52 -80.2(4) .
C51 C50 Cr2 C49 117.8(5) .
C49 C50 Cr2 C51 -117.8(5) .
N1 Cr1 O1 Cr2 -139(2) .
N2 Cr1 O1 Cr2 -49(2) .
C22 Cr1 O1 Cr2 87(2) .
C26 Cr1 O1 Cr2 119(2) .
C23 Cr1 O1 Cr2 55(2) .
C25 Cr1 O1 Cr2 118(2) .
C24 Cr1 O1 Cr2 53(2) .
N3 Cr2 O1 Cr1 -168(2) .
N4 Cr2 O1 Cr1 -78(2) .
C48 Cr2 O1 Cr1 57(2) .
C52 Cr2 O1 Cr1 89(2) .
C49 Cr2 O1 Cr1 25(2) .
C51 Cr2 O1 Cr1 89(2) .
C50 Cr2 O1 Cr1 28(2) .
