#------------------------------------------------------------------------------
#$Date: 2016-03-21 19:04:36 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178834 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/88/4108856.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_4108856
loop_
_publ_author_name
'Hongjun Fan'
'Debashis Adhikari'
'Anas A. Saleh'
'Rodney L. Clark'
'Francisco J. Zuno-Cruz'
'Gloria Sanchez Cabrera'
'John C. Huffman'
'Maren Pink'
'Daniel J. Mindiola'
'Mu-Hyun Baik'
_publ_section_title
;
 Understanding and Predicting Distorted T- versus Y-Geometries for Neutral
 Chromous Complexes Supported by a Sterically Encumbering β-Diketiminate
 Ligand
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17351
_journal_page_last               17361
_journal_paper_doi               10.1021/ja803798b
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C74 H116 Cl2 Cr2 N4 O'
_chemical_formula_weight         1252.61
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.408(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.3016(16)
_cell_length_b                   21.5950(18)
_cell_length_c                   15.8181(13)
_cell_measurement_reflns_used    988
_cell_measurement_temperature    117(2)
_cell_measurement_theta_max      27.20
_cell_measurement_theta_min      2.80
_cell_volume                     7178.6(10)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999), XTEL (local program)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      117(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 44.52
_diffrn_detector_type            'Bruker SMART 6000'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
'   0.30 degree frames measured for  10.17 seconds each'
_diffrn_measurement_device       'three-circle goniometer with fixed chi'
_diffrn_measurement_device_type  'Bruker Platform goniometer'
_diffrn_measurement_method       'ω 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  0.0699
_diffrn_reflns_av_sigmaI/netI    0.0502
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            81142
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    0.421
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'forrest green'
_exptl_crystal_density_diffrn    1.159
_exptl_crystal_description       'cleaved fragment'
_exptl_crystal_F_000             2712
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.386
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     644
_refine_ls_number_reflns         8274
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0445P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.0903
_reflns_number_gt                5651
_reflns_number_total             8274
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja803798b_si_001.cif
_cod_data_source_block           04081
_cod_original_sg_symbol_H-M      'C 1 2/c 1 '
_cod_database_code               4108856
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cr1 Cr 0.587604(12) 0.763902(12) 0.242537(16) 0.01580(8) Uani 1 1 d .
H52 H 0.6195(11) 0.8257(11) 0.0567(16) 0.036(7) Uiso 0.860(5) 1 d P
Cl2 Cl 0.5000 0.69399(3) 0.2500 0.02519(14) Uani 1 2 d S
Cl3 Cl 0.5000 0.83481(3) 0.2500 0.02490(14) Uani 1 2 d S
N4 N 0.65153(6) 0.82817(6) 0.21160(9) 0.0190(3) Uani 1 1 d .
C5 C 0.71192(8) 0.81762(7) 0.20258(11) 0.0195(4) Uani 1 1 d .
C6 C 0.74081(8) 0.76018(8) 0.22290(11) 0.0206(4) Uani 1 1 d .
C7 C 0.71837(7) 0.70458(7) 0.25263(10) 0.0179(3) Uani 1 1 d .
N8 N 0.65780(6) 0.69714(6) 0.26081(9) 0.0175(3) Uani 1 1 d .
C9 C 0.62186(7) 0.88816(7) 0.19502(11) 0.0208(4) Uani 1 1 d .
C10 C 0.58735(8) 0.90035(8) 0.11362(12) 0.0263(4) Uani 1 1 d .
C11 C 0.55531(9) 0.95685(9) 0.10114(15) 0.0336(5) Uani 1 1 d .
C12 C 0.55691(9) 0.99909(9) 0.16674(15) 0.0366(5) Uani 1 1 d .
C13 C 0.59093(9) 0.98625(8) 0.24657(14) 0.0310(4) Uani 1 1 d .
C14 C 0.62455(8) 0.93088(8) 0.26233(12) 0.0237(4) Uani 1 1 d .
C15 C 0.66257(9) 0.91859(8) 0.35074(12) 0.0267(4) Uani 1 1 d .
C16 C 0.61993(13) 0.90063(15) 0.41457(17) 0.0517(7) Uani 1 1 d .
C17 C 0.70451(13) 0.97353(11) 0.38411(18) 0.0465(6) Uani 1 1 d .
C18 C 0.58714(15) 0.85673(14) 0.04130(15) 0.0273(6) Uani 0.860(5) 1 d P
C19 C 0.60098(16) 0.88775(17) -0.03973(18) 0.0483(9) Uani 0.860(5) 1 d P
C20 C 0.52454(16) 0.82181(14) 0.02201(19) 0.0413(8) Uani 0.860(5) 1 d P
C21 C 0.75916(8) 0.86500(8) 0.17016(12) 0.0243(4) Uani 1 1 d .
C22 C 0.73584(10) 0.93097(9) 0.14499(18) 0.0377(5) Uani 1 1 d .
C23 C 0.81668(10) 0.87380(10) 0.24157(16) 0.0357(5) Uani 1 1 d .
C24 C 0.78150(12) 0.83716(10) 0.09099(16) 0.0384(5) Uani 1 1 d .
C25 C 0.77366(8) 0.65575(7) 0.27487(11) 0.0212(4) Uani 1 1 d .
C26 C 0.82290(9) 0.68374(9) 0.34682(14) 0.0283(4) Uani 1 1 d .
C27 C 0.80516(10) 0.64492(9) 0.19533(14) 0.0281(4) Uani 1 1 d .
C28 C 0.75856(9) 0.59090(8) 0.30634(14) 0.0250(4) Uani 1 1 d .
C29 C 0.63421(7) 0.63963(7) 0.29040(11) 0.0186(3) Uani 1 1 d .
C30 C 0.62879(8) 0.63380(8) 0.37699(11) 0.0211(4) Uani 1 1 d .
C31 C 0.60260(9) 0.57922(9) 0.40327(13) 0.0296(4) Uani 1 1 d .
C32 C 0.58186(9) 0.53317(9) 0.34588(14) 0.0334(5) Uani 1 1 d .
C33 C 0.58701(9) 0.53986(8) 0.26055(14) 0.0287(4) Uani 1 1 d .
C34 C 0.61329(8) 0.59281(7) 0.23029(11) 0.0218(4) Uani 1 1 d .
C35 C 0.62202(9) 0.59835(8) 0.13699(12) 0.0257(4) Uani 1 1 d .
C36 C 0.57201(11) 0.63904(11) 0.08358(14) 0.0376(5) Uani 1 1 d .
C37 C 0.62393(12) 0.53572(11) 0.09213(16) 0.0424(5) Uani 1 1 d .
C38 C 0.65015(9) 0.68432(9) 0.44216(12) 0.0263(4) Uani 1 1 d .
C39 C 0.59374(12) 0.71240(14) 0.47612(18) 0.0490(7) Uani 1 1 d .
C40 C 0.69993(11) 0.66175(12) 0.51633(14) 0.0397(5) Uani 1 1 d .
H41 H 0.7815(9) 0.7602(7) 0.2185(11) 0.014(4) Uiso 1 1 d .
H42 H 0.5348(10) 0.9647(9) 0.0493(13) 0.034(6) Uiso 1 1 d .
H43 H 0.5344(10) 1.0368(10) 0.1569(13) 0.046(6) Uiso 1 1 d .
H44 H 0.5919(9) 1.0174(9) 0.2921(13) 0.036(6) Uiso 1 1 d .
H45 H 0.6913(9) 0.8849(8) 0.3450(11) 0.025(5) Uiso 1 1 d .
H46 H 0.5977(12) 0.8629(12) 0.3970(16) 0.064(8) Uiso 1 1 d .
H47 H 0.6465(12) 0.8941(11) 0.4713(16) 0.058(7) Uiso 1 1 d .
H48 H 0.5870(14) 0.9323(13) 0.4143(18) 0.083(10) Uiso 1 1 d .
H49 H 0.7306(11) 0.9635(11) 0.4405(16) 0.055(7) Uiso 1 1 d .
H50 H 0.6789(12) 1.0046(12) 0.3948(15) 0.053(7) Uiso 1 1 d .
H51 H 0.7318(15) 0.9883(14) 0.339(2) 0.100(11) Uiso 1 1 d .
H53 H 0.6025(12) 0.8565(12) -0.0820(17) 0.042(7) Uiso 0.860(5) 1 d P
H54 H 0.5676(15) 0.9165(13) -0.0616(18) 0.059(9) Uiso 0.860(5) 1 d P
H55 H 0.6396(16) 0.9067(14) -0.0310(19) 0.068(10) Uiso 0.860(5) 1 d P
H56 H 0.4903(14) 0.8509(13) -0.0005(19) 0.038(9) Uiso 0.860(5) 1 d P
H57 H 0.5231(11) 0.7929(12) -0.0250(17) 0.043(7) Uiso 0.860(5) 1 d P
H58 H 0.5162(12) 0.8005(12) 0.0704(17) 0.044(7) Uiso 0.860(5) 1 d P
H59 H 0.7015(10) 0.9296(9) 0.0963(13) 0.036(6) Uiso 1 1 d .
H60 H 0.7227(11) 0.9533(10) 0.1950(14) 0.048(7) Uiso 1 1 d .
H61 H 0.7725(10) 0.9523(9) 0.1262(12) 0.038(6) Uiso 1 1 d .
H62 H 0.8455(10) 0.9033(10) 0.2226(12) 0.034(5) Uiso 1 1 d .
H63 H 0.8392(11) 0.8386(11) 0.2573(14) 0.049(7) Uiso 1 1 d .
H64 H 0.8044(11) 0.8896(10) 0.2945(16) 0.054(7) Uiso 1 1 d .
H65 H 0.8105(10) 0.8659(9) 0.0682(12) 0.036(6) Uiso 1 1 d .
H66 H 0.7463(11) 0.8293(10) 0.0463(15) 0.046(7) Uiso 1 1 d .
H67 H 0.8043(10) 0.7979(10) 0.1024(13) 0.040(6) Uiso 1 1 d .
H68 H 0.8396(9) 0.7212(9) 0.3305(12) 0.027(5) Uiso 1 1 d .
H69 H 0.8041(10) 0.6918(9) 0.3993(13) 0.038(6) Uiso 1 1 d .
H70 H 0.8583(9) 0.6548(9) 0.3639(12) 0.028(5) Uiso 1 1 d .
H71 H 0.8234(10) 0.6815(10) 0.1771(13) 0.040(6) Uiso 1 1 d .
H72 H 0.8379(9) 0.6151(9) 0.2084(12) 0.030(5) Uiso 1 1 d .
H73 H 0.7751(10) 0.6290(9) 0.1465(13) 0.036(6) Uiso 1 1 d .
H74 H 0.8001(9) 0.5681(9) 0.3188(12) 0.030(5) Uiso 1 1 d .
H75 H 0.7316(9) 0.5673(9) 0.2641(12) 0.027(5) Uiso 1 1 d .
H76 H 0.7406(8) 0.5913(8) 0.3579(12) 0.024(5) Uiso 1 1 d .
H77 H 0.6003(9) 0.5749(9) 0.4614(13) 0.033(5) Uiso 1 1 d .
H78 H 0.5648(10) 0.4977(10) 0.3657(13) 0.040(6) Uiso 1 1 d .
H79 H 0.5726(9) 0.5093(9) 0.2223(12) 0.033(6) Uiso 1 1 d .
H80 H 0.6623(9) 0.6161(8) 0.1354(11) 0.020(5) Uiso 1 1 d .
H81 H 0.5752(10) 0.6841(11) 0.1050(14) 0.050(7) Uiso 1 1 d .
H82 H 0.5798(10) 0.6394(10) 0.0247(15) 0.048(6) Uiso 1 1 d .
H83 H 0.5313(12) 0.6206(11) 0.0853(15) 0.057(7) Uiso 1 1 d .
H84 H 0.6392(11) 0.5417(10) 0.0355(15) 0.049(7) Uiso 1 1 d .
H85 H 0.5801(11) 0.5150(10) 0.0837(14) 0.051(7) Uiso 1 1 d .
H86 H 0.6550(10) 0.5093(10) 0.1264(14) 0.044(6) Uiso 1 1 d .
H87 H 0.6694(8) 0.7159(8) 0.4133(11) 0.022(5) Uiso 1 1 d .
H88 H 0.5637(12) 0.7268(11) 0.4324(16) 0.057(7) Uiso 1 1 d .
H89 H 0.6068(11) 0.7472(11) 0.5133(15) 0.048(7) Uiso 1 1 d .
H90 H 0.5775(13) 0.6805(13) 0.5128(17) 0.070(9) Uiso 1 1 d .
H91 H 0.7148(9) 0.6960(9) 0.5582(13) 0.035(5) Uiso 1 1 d .
H92 H 0.6806(11) 0.6307(11) 0.5480(16) 0.056(7) Uiso 1 1 d .
H93 H 0.7378(12) 0.6464(12) 0.4936(16) 0.066(8) Uiso 1 1 d .
C1A C 0.484(4) 1.156(2) 0.222(3) 0.27(3) Uani 0.28(3) 1 d P
C2A C 0.5000 1.1678(3) 0.2500 0.062(5) Uani 0.85(6) 2 d SP
C3A C 0.4784(4) 1.2416(8) 0.2440(11) 0.225(7) Uani 0.89(3) 1 d P
O4A O 0.4965(7) 1.2758(3) 0.2803(4) 0.129(8) Uani 0.331(17) 1 d P
C5A C 0.511(2) 1.3370(9) 0.2887(18) 0.172(13) Uani 0.51(3) 1 d P
C6A C 0.492(2) 1.3638(15) 0.296(4) 0.37(4) Uani 0.60(4) 1 d P
C7A C 0.5064(9) 1.3727(8) 0.3084(17) 0.067(9) Uani 0.23(3) 1 d P
C18A C 0.5645(9) 0.8374(7) 0.0387(9) 0.013(3) Uiso 0.140(5) 1 d P
C19A C 0.6180(8) 0.8168(8) -0.0099(12) 0.050(5) Uiso 0.140(5) 1 d P
C20A C 0.5039(10) 0.8455(9) -0.0284(14) 0.042(5) Uiso 0.140(5) 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N4 Cr1 N8 90.69(5) . .
N4 Cr1 Cl2 168.03(4) . .
N8 Cr1 Cl2 95.98(4) . .
N4 Cr1 Cl3 97.45(4) . .
N8 Cr1 Cl3 167.85(4) . .
Cl2 Cr1 Cl3 77.663(17) . .
Cr1 Cl2 Cr1 102.73(2) . 2_655
Cr1 Cl3 Cr1 101.94(2) 2_655 .
C5 N4 C9 122.19(13) . .
C5 N4 Cr1 126.58(11) . .
C9 N4 Cr1 111.14(10) . .
N4 C5 C6 121.45(15) . .
N4 C5 C21 126.86(14) . .
C6 C5 C21 111.69(14) . .
C5 C6 C7 132.48(16) . .
C5 C6 H41 112.6(11) . .
C7 C6 H41 114.8(11) . .
N8 C7 C6 121.78(15) . .
N8 C7 C25 126.85(14) . .
C6 C7 C25 111.37(14) . .
C7 N8 C29 122.02(13) . .
C7 N8 Cr1 126.55(11) . .
C29 N8 Cr1 111.31(10) . .
C10 C9 C14 121.65(16) . .
C10 C9 N4 118.92(16) . .
C14 C9 N4 119.27(15) . .
C11 C10 C9 117.75(18) . .
C11 C10 C18 120.45(18) . .
C9 C10 C18 121.72(17) . .
C11 C10 C18A 119.3(5) . .
C9 C10 C18A 120.3(4) . .
C18 C10 C18A 18.8(5) . .
C12 C11 C10 121.4(2) . .
C12 C11 H42 121.4(13) . .
C10 C11 H42 117.2(13) . .
C13 C12 C11 120.11(18) . .
C13 C12 H43 120.1(13) . .
C11 C12 H43 119.8(13) . .
C12 C13 C14 120.94(19) . .
C12 C13 H44 118.6(12) . .
C14 C13 H44 120.4(12) . .
C13 C14 C9 118.16(17) . .
C13 C14 C15 119.64(17) . .
C9 C14 C15 122.20(15) . .
C16 C15 C14 111.75(17) . .
C16 C15 C17 110.5(2) . .
C14 C15 C17 112.09(17) . .
C16 C15 H45 109.2(11) . .
C14 C15 H45 107.2(11) . .
C17 C15 H45 105.9(11) . .
C15 C16 H46 110.3(15) . .
C15 C16 H47 108.9(14) . .
H46 C16 H47 109(2) . .
C15 C16 H48 109.0(17) . .
H46 C16 H48 106(2) . .
H47 C16 H48 114(2) . .
C15 C17 H49 110.5(14) . .
C15 C17 H50 107.8(16) . .
H49 C17 H50 105(2) . .
C15 C17 H51 111.2(17) . .
H49 C17 H51 113(2) . .
H50 C17 H51 109(2) . .
C10 C18 C20 111.3(2) . .
C10 C18 C19 113.3(2) . .
C20 C18 C19 109.6(2) . .
C10 C18 H52 109.6(15) . .
C20 C18 H52 105.9(14) . .
C19 C18 H52 106.9(15) . .
C18 C19 H53 108.2(16) . .
C18 C19 H54 110.7(17) . .
H53 C19 H54 108(2) . .
C18 C19 H55 111.5(19) . .
H53 C19 H55 107(2) . .
H54 C19 H55 111(3) . .
C18 C20 H56 109.3(16) . .
C18 C20 H57 113.0(15) . .
H56 C20 H57 102(2) . .
C18 C20 H58 110.9(16) . .
H56 C20 H58 112(2) . .
H57 C20 H58 109(2) . .
C24 C21 C23 109.40(17) . .
C24 C21 C22 106.36(17) . .
C23 C21 C22 105.09(17) . .
C24 C21 C5 108.10(15) . .
C23 C21 C5 108.39(15) . .
C22 C21 C5 119.21(14) . .
C21 C22 H59 110.2(12) . .
C21 C22 H60 111.1(13) . .
H59 C22 H60 111.6(17) . .
C21 C22 H61 105.6(12) . .
H59 C22 H61 107.7(16) . .
H60 C22 H61 110.4(17) . .
C21 C23 H62 108.9(12) . .
C21 C23 H63 114.7(14) . .
H62 C23 H63 107.6(18) . .
C21 C23 H64 112.3(14) . .
H62 C23 H64 108.0(18) . .
H63 C23 H64 105.0(19) . .
C21 C24 H65 110.4(12) . .
C21 C24 H66 111.3(13) . .
H65 C24 H66 107.6(17) . .
C21 C24 H67 113.5(12) . .
H65 C24 H67 106.9(16) . .
H66 C24 H67 106.8(18) . .
C27 C25 C28 105.59(14) . .
C27 C25 C26 109.20(15) . .
C28 C25 C26 105.75(15) . .
C27 C25 C7 109.21(14) . .
C28 C25 C7 119.54(14) . .
C26 C25 C7 107.23(13) . .
C25 C26 H68 112.2(12) . .
C25 C26 H69 111.5(12) . .
H68 C26 H69 107.5(16) . .
C25 C26 H70 110.7(11) . .
H68 C26 H70 108.5(16) . .
H69 C26 H70 106.1(16) . .
C25 C27 H71 112.3(12) . .
C25 C27 H72 109.2(11) . .
H71 C27 H72 108.0(17) . .
C25 C27 H73 112.4(12) . .
H71 C27 H73 107.5(17) . .
H72 C27 H73 107.2(16) . .
C25 C28 H74 106.6(11) . .
C25 C28 H75 113.2(11) . .
H74 C28 H75 106.6(15) . .
C25 C28 H76 113.7(11) . .
H74 C28 H76 107.4(15) . .
H75 C28 H76 108.9(15) . .
C30 C29 C34 121.89(15) . .
C30 C29 N8 118.88(14) . .
C34 C29 N8 119.09(15) . .
C31 C30 C29 117.93(16) . .
C31 C30 C38 119.63(17) . .
C29 C30 C38 122.43(15) . .
C32 C31 C30 121.12(19) . .
C32 C31 H77 121.1(12) . .
C30 C31 H77 117.7(12) . .
C31 C32 C33 120.24(18) . .
C31 C32 H78 118.6(13) . .
C33 C32 H78 121.1(13) . .
C32 C33 C34 121.54(18) . .
C32 C33 H79 120.0(12) . .
C34 C33 H79 118.5(12) . .
C33 C34 C29 117.26(17) . .
C33 C34 C35 121.18(16) . .
C29 C34 C35 121.49(15) . .
C34 C35 C36 113.42(16) . .
C34 C35 C37 113.36(17) . .
C36 C35 C37 108.74(17) . .
C34 C35 H80 108.3(11) . .
C36 C35 H80 107.8(11) . .
C37 C35 H80 104.7(10) . .
C35 C36 H81 111.1(12) . .
C35 C36 H82 108.8(13) . .
H81 C36 H82 107.1(17) . .
C35 C36 H83 107.3(14) . .
H81 C36 H83 113.3(19) . .
H82 C36 H83 109.1(19) . .
C35 C37 H84 109.5(13) . .
C35 C37 H85 110.7(13) . .
H84 C37 H85 111.1(18) . .
C35 C37 H86 109.1(13) . .
H84 C37 H86 106.4(18) . .
H85 C37 H86 110.0(18) . .
C30 C38 C39 111.10(17) . .
C30 C38 C40 112.68(16) . .
C39 C38 C40 110.21(18) . .
C30 C38 H87 107.1(11) . .
C39 C38 H87 108.2(11) . .
C40 C38 H87 107.3(11) . .
C38 C39 H88 111.3(15) . .
C38 C39 H89 111.1(14) . .
H88 C39 H89 107(2) . .
C38 C39 H90 107.4(15) . .
H88 C39 H90 114(2) . .
H89 C39 H90 106(2) . .
C38 C40 H91 111.9(11) . .
C38 C40 H92 108.6(14) . .
H91 C40 H92 106.5(18) . .
C38 C40 H93 109.4(14) . .
H91 C40 H93 107.2(18) . .
H92 C40 H93 113(2) . .
C2A C1A C1A 27(3) . 2_655
C2A C1A C3A 57(4) . .
C1A C1A C3A 84.2(19) 2_655 .
C1A C2A C1A 125(7) 2_655 .
C1A C2A C3A 106(3) 2_655 2_655
C1A C2A C3A 128(4) . 2_655
C1A C2A C3A 128(4) 2_655 .
C1A C2A C3A 106(3) . .
C3A C2A C3A 31.8(6) 2_655 .
C3A C3A O4A 65.6(15) 2_655 .
C3A C3A O4A 60.4(10) 2_655 2_655
O4A C3A O4A 59.5(11) . 2_655
C3A C3A C2A 74.1(3) 2_655 .
O4A C3A C2A 128.0(14) . .
O4A C3A C2A 124.0(11) 2_655 .
C3A C3A C1A 87(2) 2_655 .
O4A C3A C1A 145(2) . .
O4A C3A C1A 126(2) 2_655 .
C2A C3A C1A 16.8(17) . .
C3A O4A O4A 62.6(9) . 2_655
C3A O4A C3A 54.0(13) . 2_655
O4A O4A C3A 57.9(12) 2_655 2_655
C3A O4A C5A 148.9(19) . .
O4A O4A C5A 91.6(10) 2_655 .
C3A O4A C5A 128(2) 2_655 .
C3A O4A C5A 102.9(16) . 2_655
O4A O4A C5A 52.8(6) 2_655 2_655
C3A O4A C5A 108.6(12) 2_655 2_655
C5A O4A C5A 46(3) . 2_655
C3A O4A C6A 143.4(14) . .
O4A O4A C6A 98(2) 2_655 .
C3A O4A C6A 143(3) 2_655 .
C5A O4A C6A 16.1(16) . .
C5A O4A C6A 46.7(14) 2_655 .
C6A C5A C7A 27(3) . .
C6A C5A C5A 92(8) . 2_655
C7A C5A C5A 109(3) . 2_655
C6A C5A O4A 132(4) . .
C7A C5A O4A 153(3) . .
C5A C5A O4A 82(2) 2_655 .
C6A C5A C6A 83(9) . 2_655
C7A C5A C6A 89(2) . 2_655
C5A C5A C6A 29.8(13) 2_655 2_655
O4A C5A C6A 109(2) . 2_655
C6A C5A C7A 75(7) . 2_655
C7A C5A C7A 84(3) . 2_655
C5A C5A C7A 27.9(6) 2_655 2_655
O4A C5A C7A 110(2) . 2_655
C6A C5A C7A 10(2) 2_655 2_655
C6A C5A O4A 137(6) . 2_655
C7A C5A O4A 160(4) . 2_655
C5A C5A O4A 52.1(8) 2_655 2_655
O4A C5A O4A 35.6(8) . 2_655
C6A C5A O4A 74.5(16) 2_655 2_655
C7A C5A O4A 77.8(14) 2_655 2_655
C5A C6A C5A 59(8) . 2_655
C5A C6A C6A 69(7) . 2_655
C5A C6A C6A 27.7(17) 2_655 2_655
C5A C6A C7A 81(8) . 2_655
C5A C6A C7A 30.3(14) 2_655 2_655
C6A C6A C7A 13.0(12) 2_655 2_655
C5A C6A O4A 31(3) . .
C5A C6A O4A 59(2) 2_655 .
C6A C6A O4A 82(2) 2_655 .
C7A C6A O4A 89(3) 2_655 .
C5A C7A C6A 60.5(18) . 2_655
C5A C7A C5A 43(3) . 2_655
C6A C7A C5A 24.7(15) 2_655 2_655
C5A C7A C7A 68(2) . 2_655
C6A C7A C7A 11.5(14) 2_655 2_655
C5A C7A C7A 27.3(6) 2_655 2_655
C20A C18A C19A 107.1(13) . .
C20A C18A C10 118.0(11) . .
C19A C18A C10 113.6(13) . .
C20A C18A H52 150.7(19) . .
C19A C18A H52 43.7(13) . .
C10 C18A H52 81.7(16) . .
C20A C18A H57 45.8(12) . .
C19A C18A H57 83.4(13) . .
C10 C18A H57 161.2(14) . .
H52 C18A H57 117.1(18) . .
C20A C18A H58 74.9(17) . .
C19A C18A H58 129.5(16) . .
C10 C18A H58 108.3(12) . .
H52 C18A H58 121.7(19) . .
H57 C18A H58 61.8(16) . .
C18A C19A H52 50.2(16) . .
C18A C19A H53 97.6(16) . .
H52 C19A H53 131(2) . .
C18A C20A H56 88(4) . .
C18A C20A H57 67.8(17) . .
H56 C20A H57 111(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 N4 2.0585(13) .
Cr1 N8 2.0631(13) .
Cr1 Cl2 2.4182(4) .
Cr1 Cl3 2.4316(4) .
Cl2 Cr1 2.4182(4) 2_655
Cl3 Cr1 2.4316(4) 2_655
N4 C5 1.337(2) .
N4 C9 1.447(2) .
C5 C6 1.398(2) .
C5 C21 1.578(2) .
C6 C7 1.402(2) .
C6 H41 0.882(18) .
C7 N8 1.327(2) .
C7 C25 1.577(2) .
N8 C29 1.446(2) .
C9 C10 1.399(2) .
C9 C14 1.403(2) .
C10 C11 1.396(3) .
C10 C18 1.481(3) .
C10 C18A 1.816(16) .
C11 C12 1.378(3) .
C11 H42 0.88(2) .
C12 C13 1.377(3) .
C12 H43 0.95(2) .
C13 C14 1.395(2) .
C13 H44 0.98(2) .
C14 C15 1.520(3) .
C15 C16 1.515(3) .
C15 C17 1.526(3) .
C15 H45 0.966(18) .
C16 H46 0.96(3) .
C16 H47 0.99(3) .
C16 H48 0.98(3) .
C17 H49 0.99(2) .
C17 H50 0.90(2) .
C17 H51 1.04(3) .
C18 C20 1.519(4) .
C18 C19 1.517(4) .
C18 H52 0.96(2) .
C19 H53 0.95(3) .
C19 H54 0.96(3) .
C19 H55 0.91(3) .
C20 H56 0.98(3) .
C20 H57 0.97(3) .
C20 H58 0.93(3) .
C21 C24 1.533(3) .
C21 C23 1.537(3) .
C21 C22 1.540(3) .
C22 H59 0.97(2) .
C22 H60 1.00(2) .
C22 H61 0.99(2) .
C23 H62 0.97(2) .
C23 H63 0.91(2) .
C23 H64 0.98(2) .
C24 H65 0.98(2) .
C24 H66 0.96(2) .
C24 H67 0.98(2) .
C25 C27 1.537(3) .
C25 C28 1.538(2) .
C25 C26 1.540(3) .
C26 H68 0.94(2) .
C26 H69 0.99(2) .
C26 H70 0.981(19) .
C27 H71 0.95(2) .
C27 H72 0.95(2) .
C27 H73 0.98(2) .
C28 H74 1.00(2) .
C28 H75 0.954(19) .
C28 H76 0.956(19) .
C29 C30 1.399(2) .
C29 C34 1.409(2) .
C30 C31 1.396(2) .
C30 C38 1.519(2) .
C31 C32 1.370(3) .
C31 H77 0.93(2) .
C32 C33 1.380(3) .
C32 H78 0.92(2) .
C33 C34 1.392(2) .
C33 H79 0.91(2) .
C34 C35 1.522(3) .
C35 C36 1.525(3) .
C35 C37 1.531(3) .
C35 H80 0.945(18) .
C36 H81 1.03(2) .
C36 H82 0.97(2) .
C36 H83 0.96(2) .
C37 H84 1.01(2) .
C37 H85 1.02(2) .
C37 H86 0.97(2) .
C38 C39 1.520(3) .
C38 C40 1.527(3) .
C38 H87 0.950(18) .
C39 H88 0.92(3) .
C39 H89 0.97(2) .
C39 H90 1.00(3) .
C40 H91 1.01(2) .
C40 H92 0.97(2) .
C40 H93 0.99(3) .
C1A C2A 0.57(6) .
C1A C1A 1.01(11) 2_655
C1A C3A 1.89(5) .
C2A C1A 0.57(6) 2_655
C2A C3A 1.659(19) 2_655
C2A C3A 1.659(19) .
C3A C3A 0.908(19) 2_655
C3A O4A 0.975(13) .
C3A O4A 1.022(12) 2_655
O4A O4A 0.992(16) 2_655
O4A C3A 1.022(12) 2_655
O4A C5A 1.36(2) .
O4A C5A 1.70(2) 2_655
O4A C6A 1.92(4) .
C5A C6A 0.72(4) .
C5A C7A 0.841(16) .
C5A C5A 1.24(7) 2_655
C5A C6A 1.45(5) 2_655
C5A C7A 1.70(4) 2_655
C5A O4A 1.70(2) 2_655
C6A C5A 1.45(5) 2_655
C6A C6A 1.54(15) 2_655
C6A C7A 1.67(6) 2_655
C7A C6A 1.67(6) 2_655
C7A C5A 1.70(4) 2_655
C7A C7A 1.82(5) 2_655
C18A C20A 1.54(3) .
C18A C19A 1.54(2) .
C18A H52 1.19(3) .
C18A H57 1.56(3) .
C18A H58 1.45(3) .
C19A H52 1.07(2) .
C19A H53 1.42(3) .
C20A H56 0.58(3) .
C20A H57 1.21(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
_geom_torsion_site_symmetry_4
N4 Cr1 Cl2 Cr1 -66.96(19) . 2_655
N8 Cr1 Cl2 Cr1 169.50(4) . 2_655
Cl3 Cr1 Cl2 Cr1 0.0 . 2_655
N4 Cr1 Cl3 Cr1 168.90(4) . 2_655
N8 Cr1 Cl3 Cr1 -59.41(18) . 2_655
Cl2 Cr1 Cl3 Cr1 0.0 . 2_655
N8 Cr1 N4 C5 5.48(14) . .
Cl2 Cr1 N4 C5 -118.52(19) . .
Cl3 Cr1 N4 C5 176.44(13) . .
N8 Cr1 N4 C9 -177.96(11) . .
Cl2 Cr1 N4 C9 58.0(2) . .
Cl3 Cr1 N4 C9 -7.01(11) . .
C9 N4 C5 C6 176.82(16) . .
Cr1 N4 C5 C6 -7.0(2) . .
C9 N4 C5 C21 -2.7(3) . .
Cr1 N4 C5 C21 173.55(12) . .
N4 C5 C6 C7 1.3(3) . .
C21 C5 C6 C7 -179.17(18) . .
C5 C6 C7 N8 5.3(3) . .
C5 C6 C7 C25 -173.77(18) . .
C6 C7 N8 C29 179.19(15) . .
C25 C7 N8 C29 -1.9(2) . .
C6 C7 N8 Cr1 -5.2(2) . .
C25 C7 N8 Cr1 173.74(12) . .
N4 Cr1 N8 C7 0.64(14) . .
Cl2 Cr1 N8 C7 170.68(13) . .
Cl3 Cr1 N8 C7 -131.59(17) . .
N4 Cr1 N8 C29 176.64(11) . .
Cl2 Cr1 N8 C29 -13.32(10) . .
Cl3 Cr1 N8 C29 44.4(2) . .
C5 N4 C9 C10 93.6(2) . .
Cr1 N4 C9 C10 -83.15(16) . .
C5 N4 C9 C14 -90.9(2) . .
Cr1 N4 C9 C14 92.33(15) . .
C14 C9 C10 C11 0.0(2) . .
N4 C9 C10 C11 175.38(15) . .
C14 C9 C10 C18 176.8(2) . .
N4 C9 C10 C18 -7.8(3) . .
C14 C9 C10 C18A -161.2(7) . .
N4 C9 C10 C18A 14.1(7) . .
C9 C10 C11 C12 -0.7(3) . .
C18 C10 C11 C12 -177.5(2) . .
C18A C10 C11 C12 160.8(6) . .
C10 C11 C12 C13 0.4(3) . .
C11 C12 C13 C14 0.5(3) . .
C12 C13 C14 C9 -1.1(3) . .
C12 C13 C14 C15 178.95(17) . .
C10 C9 C14 C13 0.8(2) . .
N4 C9 C14 C13 -174.52(15) . .
C10 C9 C14 C15 -179.19(15) . .
N4 C9 C14 C15 5.5(2) . .
C13 C14 C15 C16 76.3(2) . .
C9 C14 C15 C16 -103.7(2) . .
C13 C14 C15 C17 -48.3(2) . .
C9 C14 C15 C17 131.7(2) . .
C11 C10 C18 C20 -77.7(3) . .
C9 C10 C18 C20 105.6(2) . .
C18A C10 C18 C20 14.2(14) . .
C11 C10 C18 C19 46.2(3) . .
C9 C10 C18 C19 -130.5(2) . .
C18A C10 C18 C19 138.2(15) . .
N4 C5 C21 C24 -121.8(2) . .
C6 C5 C21 C24 58.7(2) . .
N4 C5 C21 C23 119.75(19) . .
C6 C5 C21 C23 -59.8(2) . .
N4 C5 C21 C22 -0.3(3) . .
C6 C5 C21 C22 -179.78(18) . .
N8 C7 C25 C27 124.24(18) . .
C6 C7 C25 C27 -56.72(19) . .
N8 C7 C25 C28 2.6(3) . .
C6 C7 C25 C28 -178.36(16) . .
N8 C7 C25 C26 -117.55(18) . .
C6 C7 C25 C26 61.49(19) . .
C7 N8 C29 C30 96.76(19) . .
Cr1 N8 C29 C30 -79.45(15) . .
C7 N8 C29 C34 -87.56(19) . .
Cr1 N8 C29 C34 96.22(15) . .
C34 C29 C30 C31 1.0(2) . .
N8 C29 C30 C31 176.50(15) . .
C34 C29 C30 C38 -178.98(15) . .
N8 C29 C30 C38 -3.4(2) . .
C29 C30 C31 C32 -1.1(3) . .
C38 C30 C31 C32 178.88(17) . .
C30 C31 C32 C33 0.5(3) . .
C31 C32 C33 C34 0.2(3) . .
C32 C33 C34 C29 -0.3(3) . .
C32 C33 C34 C35 176.71(17) . .
C30 C29 C34 C33 -0.3(2) . .
N8 C29 C34 C33 -175.81(14) . .
C30 C29 C34 C35 -177.30(15) . .
N8 C29 C34 C35 7.2(2) . .
C33 C34 C35 C36 102.8(2) . .
C29 C34 C35 C36 -80.3(2) . .
C33 C34 C35 C37 -21.8(2) . .
C29 C34 C35 C37 155.07(17) . .
C31 C30 C38 C39 -66.5(2) . .
C29 C30 C38 C39 113.5(2) . .
C31 C30 C38 C40 57.8(2) . .
C29 C30 C38 C40 -122.30(19) . .
C3A C1A C2A C1A 168.2(18) . 2_655
C1A C1A C2A C3A 165.6(19) 2_655 2_655
C3A C1A C2A C3A -26(4) . 2_655
C1A C1A C2A C3A -168.2(18) 2_655 .
C1A C2A C3A C3A 54(9) 2_655 2_655
C1A C2A C3A C3A -138(8) . 2_655
C1A C2A C3A O4A 14(9) 2_655 .
C1A C2A C3A O4A -178(8) . .
C3A C2A C3A O4A -39.9(14) 2_655 .
C1A C2A C3A O4A 90(9) 2_655 2_655
C1A C2A C3A O4A -103(8) . 2_655
C3A C2A C3A O4A 35.7(7) 2_655 2_655
C1A C2A C3A C1A -168(2) 2_655 .
C3A C2A C3A C1A 138(8) 2_655 .
C2A C1A C3A C3A 40(7) . 2_655
C1A C1A C3A C3A 45(8) 2_655 2_655
C2A C1A C3A O4A 3(11) . .
C1A C1A C3A O4A 8(11) 2_655 .
C2A C1A C3A O4A 89(7) . 2_655
C1A C1A C3A O4A 95(8) 2_655 2_655
C1A C1A C3A C2A 5.4(11) 2_655 .
C3A C3A O4A O4A 68.7(18) 2_655 2_655
C2A C3A O4A O4A 111.4(10) . 2_655
C1A C3A O4A O4A 110(4) . 2_655
O4A C3A O4A C3A -68.7(18) 2_655 2_655
C2A C3A O4A C3A 42.7(10) . 2_655
C1A C3A O4A C3A 42(4) . 2_655
C3A C3A O4A C5A 106(4) 2_655 .
O4A C3A O4A C5A 37(3) 2_655 .
C2A C3A O4A C5A 149(3) . .
C1A C3A O4A C5A 148(5) . .
C3A C3A O4A C5A 103.8(19) 2_655 2_655
O4A C3A O4A C5A 35.1(14) 2_655 2_655
C2A C3A O4A C5A 146.5(14) . 2_655
C1A C3A O4A C5A 146(4) . 2_655
C3A C3A O4A C6A 133(4) 2_655 .
O4A C3A O4A C6A 65(4) 2_655 .
C2A C3A O4A C6A 176(4) . .
C1A C3A O4A C6A 175(5) . .
C3A O4A C5A C6A 82(9) . .
O4A O4A C5A C6A 114(10) 2_655 .
C3A O4A C5A C6A 164(9) 2_655 .
C5A O4A C5A C6A 85(12) 2_655 .
C3A O4A C5A C7A 113(8) . .
O4A O4A C5A C7A 145(10) 2_655 .
C3A O4A C5A C7A -166(9) 2_655 .
C5A O4A C5A C7A 115(12) 2_655 .
C6A O4A C5A C7A 31(7) . .
C3A O4A C5A C5A -3(6) . 2_655
O4A O4A C5A C5A 30(3) 2_655 2_655
C3A O4A C5A C5A 79(4) 2_655 2_655
C6A O4A C5A C5A -85(12) . 2_655
C3A O4A C5A C6A -16(7) . 2_655
O4A O4A C5A C6A 16(4) 2_655 2_655
C3A O4A C5A C6A 66(5) 2_655 2_655
C5A O4A C5A C6A -13(2) 2_655 2_655
C6A O4A C5A C6A -98(13) . 2_655
C3A O4A C5A C7A -5(5) . 2_655
O4A O4A C5A C7A 27(3) 2_655 2_655
C3A O4A C5A C7A 77(3) 2_655 2_655
C5A O4A C5A C7A -2.2(13) 2_655 2_655
C6A O4A C5A C7A -87(11) . 2_655
C3A O4A C5A O4A -32(3) . 2_655
C3A O4A C5A O4A 49(2) 2_655 2_655
C5A O4A C5A O4A -30(3) 2_655 2_655
C6A O4A C5A O4A -114(10) . 2_655
C7A C5A C6A C5A 130(14) . 2_655
O4A C5A C6A C5A -81(9) . 2_655
C6A C5A C6A C5A 28.7(17) 2_655 2_655
C7A C5A C6A C5A 22(2) 2_655 2_655
O4A C5A C6A C5A -30(7) 2_655 2_655
C7A C5A C6A C6A 102(14) . 2_655
C5A C5A C6A C6A -28.7(17) 2_655 2_655
O4A C5A C6A C6A -109(9) . 2_655
C7A C5A C6A C6A -6.2(18) 2_655 2_655
O4A C5A C6A C6A -59(8) 2_655 2_655
C7A C5A C6A C7A 108(13) . 2_655
C5A C5A C6A C7A -22(2) 2_655 2_655
O4A C5A C6A C7A -103(8) . 2_655
C6A C5A C6A C7A 6.2(18) 2_655 2_655
O4A C5A C6A C7A -53(7) 2_655 2_655
C7A C5A C6A O4A -149(7) . .
C5A C5A C6A O4A 81(9) 2_655 .
C6A C5A C6A O4A 109(9) 2_655 .
C7A C5A C6A O4A 103(8) 2_655 .
O4A C5A C6A O4A 50(5) 2_655 .
C3A O4A C6A C5A -121(7) . .
O4A O4A C6A C5A -67(10) 2_655 .
C3A O4A C6A C5A -22(11) 2_655 .
C5A O4A C6A C5A -80(12) 2_655 .
C3A O4A C6A C5A -41(6) . 2_655
O4A O4A C6A C5A 13(3) 2_655 2_655
C3A O4A C6A C5A 58(3) 2_655 2_655
C5A O4A C6A C5A 80(12) . 2_655
C3A O4A C6A C6A -58(6) . 2_655
O4A O4A C6A C6A -4(3) 2_655 2_655
C3A O4A C6A C6A 41(3) 2_655 2_655
C5A O4A C6A C6A 63(11) . 2_655
C5A O4A C6A C6A -17(2) 2_655 2_655
C3A O4A C6A C7A -47(5) . 2_655
O4A O4A C6A C7A 7(3) 2_655 2_655
C3A O4A C6A C7A 52(3) 2_655 2_655
C5A O4A C6A C7A 74(11) . 2_655
C5A O4A C6A C7A -5.6(19) 2_655 2_655
C6A C5A C7A C6A -77(16) . 2_655
C5A C5A C7A C6A -23(2) 2_655 2_655
O4A C5A C7A C6A -132(12) . 2_655
C7A C5A C7A C6A -9(2) 2_655 2_655
O4A C5A C7A C6A -34(6) 2_655 2_655
C6A C5A C7A C5A -54(16) . 2_655
O4A C5A C7A C5A -109(13) . 2_655
C6A C5A C7A C5A 23(2) 2_655 2_655
C7A C5A C7A C5A 14(3) 2_655 2_655
O4A C5A C7A C5A -11(5) 2_655 2_655
C6A C5A C7A C7A -67(14) . 2_655
C5A C5A C7A C7A -14(3) 2_655 2_655
O4A C5A C7A C7A -123(10) . 2_655
C6A C5A C7A C7A 9(2) 2_655 2_655
O4A C5A C7A C7A -24(8) 2_655 2_655
C11 C10 C18A C20A -9.0(16) . .
C9 C10 C18A C20A 152.0(12) . .
C18 C10 C18A C20A -108(2) . .
C11 C10 C18A C19A 117.6(10) . .
C9 C10 C18A C19A -81.5(11) . .
C18 C10 C18A C19A 18.6(11) . .
