#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:25:48 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178564 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/73/4067335.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_4067335
loop_
_publ_author_name
'Champouret, Yohan'
'MacLeod, K. Cory'
'Baisch, Ulrich'
'Patrick, Brian O.'
'Smith, Kevin M.'
'Poli, Rinaldo'
_publ_section_title
;
 Cyclopentadienyl Chromium β-Diketiminate Complexes: Initiators, Ligand
 Steric Effects, and Deactivation Processes in the Controlled Radical
 Polymerization of Vinyl Acetate
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              167
_journal_paper_doi               10.1021/om900869p
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C29 H37 Cl Cr N2'
_chemical_formula_weight         501.06
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 112.8180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.1109(3)
_cell_length_b                   15.2995(3)
_cell_length_c                   14.4144(3)
_cell_measurement_reflns_used    8447
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.32
_cell_measurement_theta_min      3.00
_cell_volume                     2665.11(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23828
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.548
_exptl_absorpt_correction_T_max  0.936
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.674
_refine_diff_density_min         -0.483
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         6149
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          1.476
_refine_ls_shift/su_mean         0.141
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0565P)²+1.4905P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1051
_refine_ls_wR_factor_ref         0.1130
_reflns_number_gt                4954
_reflns_number_total             6149
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900869p_si_001.cif
_cod_data_source_block           6_ks078
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4067335
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.23208(18) 0.34061(15) 0.59043(16) 0.0320(5) Uani 1 1 d . . .
H1A H 0.2778 0.2882 0.6146 0.048 Uiso 1 1 calc R . .
H1B H 0.2345 0.3758 0.6481 0.048 Uiso 1 1 calc R . .
H1C H 0.2605 0.3751 0.5484 0.048 Uiso 1 1 calc R . .
C2 C 0.11372(16) 0.31385(12) 0.52901(14) 0.0234(4) Uani 1 1 d . . .
C3 C 0.03069(17) 0.35895(13) 0.54704(15) 0.0271(4) Uani 1 1 d . . .
H3 H 0.0535 0.3918 0.6077 0.032 Uiso 1 1 calc R . .
C4 C -0.08224(17) 0.36133(13) 0.48605(15) 0.0255(4) Uani 1 1 d . . .
C5 C -0.1504(2) 0.43217(14) 0.50691(18) 0.0352(5) Uani 1 1 d . . .
H5A H -0.1794 0.4714 0.4487 0.053 Uiso 1 1 calc R . .
H5B H -0.1040 0.4655 0.5664 0.053 Uiso 1 1 calc R . .
H5C H -0.2121 0.4057 0.5192 0.053 Uiso 1 1 calc R . .
C6 C 0.18545(15) 0.22362(13) 0.43472(14) 0.0236(4) Uani 1 1 d . . .
C7 C 0.24222(16) 0.14659(14) 0.47635(15) 0.0279(4) Uani 1 1 d . . .
C8 C 0.32488(18) 0.11867(16) 0.44487(18) 0.0364(5) Uani 1 1 d . . .
H8 H 0.3633 0.0659 0.4714 0.044 Uiso 1 1 calc R . .
C9 C 0.35228(19) 0.16554(18) 0.37639(19) 0.0416(6) Uani 1 1 d . . .
H9 H 0.4083 0.1449 0.3554 0.050 Uiso 1 1 calc R . .
C10 C 0.29755(18) 0.24306(17) 0.33839(17) 0.0370(5) Uani 1 1 d . . .
H10 H 0.3179 0.2762 0.2925 0.044 Uiso 1 1 calc R . .
C11 C 0.21324(17) 0.27342(14) 0.36604(15) 0.0276(4) Uani 1 1 d . . .
C12 C 0.21645(19) 0.09429(15) 0.55269(18) 0.0371(5) Uani 1 1 d . . .
H12A H 0.1610 0.0497 0.5183 0.056 Uiso 1 1 calc R . .
H12B H 0.1874 0.1331 0.5907 0.056 Uiso 1 1 calc R . .
H12C H 0.2841 0.0659 0.5989 0.056 Uiso 1 1 calc R . .
C13 C 0.15420(19) 0.35672(15) 0.32107(17) 0.0355(5) Uani 1 1 d . . .
H13A H 0.0976 0.3689 0.3481 0.053 Uiso 0.50 1 calc PR . .
H13B H 0.1189 0.3506 0.2477 0.053 Uiso 0.50 1 calc PR . .
H13C H 0.2075 0.4050 0.3380 0.053 Uiso 0.50 1 calc PR . .
H13D H 0.1851 0.3807 0.2745 0.053 Uiso 0.50 1 calc PR . .
H13E H 0.1638 0.3991 0.3748 0.053 Uiso 0.50 1 calc PR . .
H13F H 0.0752 0.3447 0.2845 0.053 Uiso 0.50 1 calc PR . .
C14 C -0.24166(17) 0.32368(13) 0.34039(16) 0.0273(4) Uani 1 1 d . . .
C15 C -0.25781(19) 0.37685(15) 0.25636(17) 0.0342(5) Uani 1 1 d . . .
C16 C -0.3642(2) 0.3833(2) 0.1822(2) 0.0537(7) Uani 1 1 d . . .
H16 H -0.3764 0.4178 0.1240 0.064 Uiso 1 1 calc R . .
C17 C -0.4521(2) 0.3405(2) 0.1921(2) 0.0662(9) Uani 1 1 d . . .
H17 H -0.5238 0.3441 0.1400 0.079 Uiso 1 1 calc R . .
C18 C -0.4358(2) 0.2927(2) 0.2771(2) 0.0535(7) Uani 1 1 d . . .
H18 H -0.4974 0.2654 0.2843 0.064 Uiso 1 1 calc R . .
C19 C -0.33139(18) 0.28309(16) 0.35299(18) 0.0361(5) Uani 1 1 d . . .
C20 C -0.1630(2) 0.42403(16) 0.24410(18) 0.0383(5) Uani 1 1 d . . .
H20A H -0.1149 0.3816 0.2301 0.057 Uiso 1 1 calc R . .
H20B H -0.1205 0.4558 0.3062 0.057 Uiso 1 1 calc R . .
H20C H -0.1920 0.4654 0.1881 0.057 Uiso 1 1 calc R . .
C21 C -0.3171(2) 0.23015(19) 0.4449(2) 0.0441(6) Uani 1 1 d . . .
H21A H -0.3870 0.2290 0.4547 0.066 Uiso 1 1 calc R . .
H21B H -0.2593 0.2565 0.5038 0.066 Uiso 1 1 calc R . .
H21C H -0.2957 0.1703 0.4360 0.066 Uiso 1 1 calc R . .
C22 C -0.0715(17) 0.0631(12) 0.3231(18) 0.040(3) Uani 0.67(3) 1 d PD A 1
H22 H -0.0474 0.0118 0.3627 0.048 Uiso 0.67(3) 1 calc PR A 1
C23 C -0.0079(9) 0.1152(14) 0.2866(17) 0.037(3) Uani 0.67(3) 1 d PD A 1
H23 H 0.0671 0.1052 0.2967 0.044 Uiso 0.67(3) 1 calc PR A 1
C24 C -0.0721(16) 0.1833(11) 0.2337(16) 0.037(3) Uani 0.67(3) 1 d PD A 1
H24 H -0.0491 0.2288 0.2013 0.045 Uiso 0.67(3) 1 calc PR A 1
C25 C -0.1764(13) 0.1740(13) 0.2359(16) 0.039(3) Uani 0.67(3) 1 d PD A 1
H25 H -0.2371 0.2123 0.2046 0.047 Uiso 0.67(3) 1 calc PR A 1
C26 C -0.1780(14) 0.1005(12) 0.2905(15) 0.039(3) Uani 0.67(3) 1 d PD A 1
H26 H -0.2391 0.0792 0.3037 0.047 Uiso 0.67(3) 1 calc PR A 1
N1 N 0.09410(13) 0.25209(10) 0.45946(11) 0.0216(3) Uani 1 1 d . A .
N2 N -0.13018(13) 0.30643(10) 0.40980(12) 0.0232(3) Uani 1 1 d . A .
Cr1 Cr -0.05582(2) 0.195355(19) 0.39311(2) 0.01944(10) Uani 1 1 d . . .
Cl1 Cl -0.05432(4) 0.13572(3) 0.54073(4) 0.02907(13) Uani 1 1 d . A .
C22B C -0.044(3) 0.069(2) 0.316(3) 0.048(9) Uani 0.33(3) 1 d PD A 2
H22B H 0.0014 0.0220 0.3530 0.058 Uiso 0.33(3) 1 calc PR A 2
C23B C -0.012(2) 0.137(3) 0.268(4) 0.048(9) Uani 0.33(3) 1 d PD A 2
H23B H 0.0594 0.1433 0.2662 0.057 Uiso 0.33(3) 1 calc PR A 2
C24B C -0.099(3) 0.193(2) 0.225(3) 0.035(6) Uani 0.33(3) 1 d PD A 2
H24B H -0.0977 0.2460 0.1925 0.042 Uiso 0.33(3) 1 calc PR A 2
C25B C -0.1894(19) 0.156(3) 0.239(3) 0.044(8) Uani 0.33(3) 1 d PD A 2
H25B H -0.2628 0.1786 0.2117 0.052 Uiso 0.33(3) 1 calc PR A 2
C26B C -0.155(3) 0.083(2) 0.299(3) 0.038(7) Uani 0.33(3) 1 d PD A 2
H26B H -0.1993 0.0479 0.3233 0.045 Uiso 0.33(3) 1 calc PR A 2
C27 C 0.4839(8) 0.4662(5) 0.5301(5) 0.120(2) Uiso 0.693(9) 1 d PD . 1
H27A H 0.5106 0.4072 0.5226 0.144 Uiso 0.693(9) 1 calc PR . 1
H27B H 0.4028 0.4644 0.5113 0.144 Uiso 0.693(9) 1 calc PR . 1
C28 C 0.5447(6) 0.5025(6) 0.6365(5) 0.118(3) Uiso 0.693(9) 1 d PD . 1
H28A H 0.6254 0.4944 0.6566 0.142 Uiso 0.693(9) 1 calc PR . 1
H28B H 0.5300 0.5659 0.6366 0.142 Uiso 0.693(9) 1 calc PR . 1
C29 C 0.5092(10) 0.4583(7) 0.7107(6) 0.132(3) Uiso 0.693(9) 1 d PD . 1
H29A H 0.5519 0.4813 0.7782 0.198 Uiso 0.693(9) 1 calc PR . 1
H29B H 0.5221 0.3952 0.7097 0.198 Uiso 0.693(9) 1 calc PR . 1
H29C H 0.4303 0.4691 0.6933 0.198 Uiso 0.693(9) 1 calc PR . 1
C27B C 0.4827(17) 0.5059(9) 0.5432(10) 0.120(2) Uiso 0.307(9) 1 d PD . 2
H27C H 0.4019 0.5151 0.5202 0.144 Uiso 0.307(9) 1 calc PR . 2
H27D H 0.5222 0.5553 0.5868 0.144 Uiso 0.307(9) 1 calc PR . 2
C28B C 0.5183(15) 0.4175(8) 0.5969(9) 0.116(6) Uiso 0.307(9) 1 d PD . 2
H28C H 0.4637 0.3715 0.5624 0.139 Uiso 0.307(9) 1 calc PR . 2
H28D H 0.5915 0.3998 0.5984 0.139 Uiso 0.307(9) 1 calc PR . 2
C29B C 0.524(2) 0.4327(17) 0.7041(10) 0.132(3) Uiso 0.307(9) 1 d PD . 2
H29D H 0.5251 0.3762 0.7366 0.198 Uiso 0.307(9) 1 calc PR . 2
H29E H 0.4583 0.4657 0.7009 0.198 Uiso 0.307(9) 1 calc PR . 2
H29F H 0.5906 0.4657 0.7430 0.198 Uiso 0.307(9) 1 calc PR . 2
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'
Cl Cl 0.1484 0.1585 '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
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 123.75(18) .
N1 C2 C1 119.22(18) .
C3 C2 C1 116.99(18) .
C2 C3 C4 127.42(19) .
C2 C3 H3 116.3 .
C4 C3 H3 116.3 .
N2 C4 C3 123.24(18) .
N2 C4 C5 119.45(19) .
C3 C4 C5 117.27(18) .
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 .
C7 C6 C11 121.27(18) .
C7 C6 N1 120.18(17) .
C11 C6 N1 118.52(17) .
C8 C7 C6 118.0(2) .
C8 C7 C12 120.0(2) .
C6 C7 C12 122.00(19) .
C9 C8 C7 121.7(2) .
C9 C8 H8 119.1 .
C7 C8 H8 119.1 .
C8 C9 C10 119.4(2) .
C8 C9 H9 120.3 .
C10 C9 H9 120.3 .
C9 C10 C11 121.3(2) .
C9 C10 H10 119.3 .
C11 C10 H10 119.3 .
C10 C11 C6 118.2(2) .
C10 C11 C13 119.56(19) .
C6 C11 C13 122.24(18) .
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 .
C11 C13 H13D 109.5 .
H13A C13 H13D 141.1 .
H13B C13 H13D 56.3 .
H13C C13 H13D 56.3 .
C11 C13 H13E 109.5 .
H13A C13 H13E 56.3 .
H13B C13 H13E 141.1 .
H13C C13 H13E 56.3 .
H13D C13 H13E 109.5 .
C11 C13 H13F 109.5 .
H13A C13 H13F 56.3 .
H13B C13 H13F 56.3 .
H13C C13 H13F 141.1 .
H13D C13 H13F 109.5 .
H13E C13 H13F 109.5 .
C19 C14 C15 120.94(19) .
C19 C14 N2 120.34(18) .
C15 C14 N2 118.57(18) .
C16 C15 C14 118.3(2) .
C16 C15 C20 120.1(2) .
C14 C15 C20 121.6(2) .
C17 C16 C15 120.9(2) .
C17 C16 H16 119.5 .
C15 C16 H16 119.5 .
C18 C17 C16 119.9(2) .
C18 C17 H17 120.0 .
C16 C17 H17 120.0 .
C17 C18 C19 121.7(2) .
C17 C18 H18 119.2 .
C19 C18 H18 119.2 .
C18 C19 C14 118.1(2) .
C18 C19 C21 120.0(2) .
C14 C19 C21 121.9(2) .
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 107.5(7) .
C23 C22 Cr1 71.9(11) .
C26 C22 Cr1 71.9(11) .
C23 C22 H22 126.4 .
C26 C22 H22 126.0 .
Cr1 C22 H22 122.6 .
C24 C23 C22 108.5(7) .
C24 C23 Cr1 71.9(11) .
C22 C23 Cr1 71.7(12) .
C24 C23 H23 125.9 .
C22 C23 H23 125.6 .
Cr1 C23 H23 122.5 .
C23 C24 C25 107.9(7) .
C23 C24 Cr1 72.4(11) .
C25 C24 Cr1 71.7(12) .
C23 C24 H24 125.8 .
C25 C24 H24 126.2 .
Cr1 C24 H24 119.6 .
C26 C25 C24 109.3(8) .
C26 C25 Cr1 72.5(11) .
C24 C25 Cr1 72.0(12) .
C26 C25 H25 125.6 .
C24 C25 H25 125.1 .
Cr1 C25 H25 124.8 .
C25 C26 C22 106.8(8) .
C25 C26 Cr1 71.6(11) .
C22 C26 Cr1 71.4(12) .
C25 C26 H26 126.3 .
C22 C26 H26 126.8 .
Cr1 C26 H26 120.0 .
C2 N1 C6 117.70(16) .
C2 N1 Cr1 122.11(13) .
C6 N1 Cr1 120.15(12) .
C4 N2 C14 119.02(16) .
C4 N2 Cr1 122.28(13) .
C14 N2 Cr1 118.58(13) .
N1 Cr1 N2 90.47(7) .
N1 Cr1 C22B 111.1(10) .
N2 Cr1 C22B 154.8(8) .
N1 Cr1 C24 102.1(5) .
N2 Cr1 C24 109.6(5) .
C22B Cr1 C24 54.7(10) .
N1 Cr1 C26 155.1(5) .
N2 Cr1 C26 111.6(5) .
C22B Cr1 C26 44.9(10) .
C24 Cr1 C26 60.5(5) .
N1 Cr1 C25 136.2(5) .
N2 Cr1 C25 93.4(4) .
C22B Cr1 C25 62.2(10) .
C24 Cr1 C25 36.2(3) .
C26 Cr1 C25 35.9(3) .
N1 Cr1 C23B 92.5(8) .
N2 Cr1 C23B 135.0(11) .
C22B Cr1 C23B 35.9(7) .
C24 Cr1 C23B 26.6(10) .
C26 Cr1 C23B 63.8(10) .
C25 Cr1 C23B 55.6(10) .
N1 Cr1 C23 94.6(4) .
N2 Cr1 C23 145.1(5) .
C22B Cr1 C23 26.4(11) .
C24 Cr1 C23 35.7(4) .
C26 Cr1 C23 60.7(5) .
C25 Cr1 C23 59.9(5) .
C23B Cr1 C23 10.5(11) .
N1 Cr1 C22 120.4(5) .
N2 Cr1 C22 148.4(5) .
C22B Cr1 C22 10.7(11) .
C24 Cr1 C22 60.3(5) .
C26 Cr1 C22 36.7(3) .
C25 Cr1 C22 60.2(5) .
C23B Cr1 C22 45.1(11) .
C23 Cr1 C22 36.4(4) .
N1 Cr1 C24B 108.0(9) .
N2 Cr1 C24B 102.2(9) .
C22B Cr1 C24B 59.7(9) .
C24 Cr1 C24B 9.0(10) .
C26 Cr1 C24B 57.5(9) .
C25 Cr1 C24B 28.9(10) .
C23B Cr1 C24B 35.0(6) .
C23 Cr1 C24B 43.5(10) .
C22 Cr1 C24B 63.8(10) .
N1 Cr1 C26B 147.0(9) .
N2 Cr1 C26B 121.3(10) .
C22B Cr1 C26B 35.9(6) .
C24 Cr1 C26B 61.0(9) .
C26 Cr1 C26B 9.8(10) .
C25 Cr1 C26B 42.5(10) .
C23B Cr1 C26B 59.3(9) .
C23 Cr1 C26B 54.6(8) .
C22 Cr1 C26B 27.2(10) .
C24B Cr1 C26B 59.8(9) .
N1 Cr1 C25B 143.4(9) .
N2 Cr1 C25B 96.4(8) .
C22B Cr1 C25B 58.6(9) .
C24 Cr1 C25B 41.8(10) .
C26 Cr1 C25B 28.0(10) .
C25 Cr1 C25B 8.1(11) .
C23B Cr1 C25B 57.9(9) .
C23 Cr1 C25B 60.5(9) .
C22 Cr1 C25B 55.2(10) .
C24B Cr1 C25B 35.4(6) .
C26B Cr1 C25B 35.1(5) .
N1 Cr1 Cl1 94.28(5) .
N2 Cr1 Cl1 93.14(5) .
C22B Cr1 Cl1 97.9(10) .
C24 Cr1 Cl1 151.6(4) .
C26 Cr1 Cl1 95.8(4) .
C25 Cr1 Cl1 129.0(6) .
C23B Cr1 Cl1 131.2(11) .
C23 Cr1 Cl1 120.8(6) .
C22 Cr1 Cl1 91.4(5) .
C24B Cr1 Cl1 152.6(8) .
C26B Cr1 Cl1 92.9(7) .
C25B Cr1 Cl1 121.1(10) .
C23B C22B C26B 106.9(13) .
C23B C22B Cr1 72(2) .
C26B C22B Cr1 72(2) .
C23B C22B H22B 126.5 .
C26B C22B H22B 126.6 .
Cr1 C22B H22B 120.1 .
C24B C23B C22B 109.2(14) .
C24B C23B Cr1 72(2) .
C22B C23B Cr1 72(2) .
C24B C23B H23B 125.4 .
C22B C23B H23B 125.4 .
Cr1 C23B H23B 121.2 .
C23B C24B C25B 107.3(13) .
C23B C24B Cr1 73(2) .
C25B C24B Cr1 74(2) .
C23B C24B H24B 126.2 .
C25B C24B H24B 126.2 .
Cr1 C24B H24B 122.4 .
C26B C25B C24B 108.9(13) .
C26B C25B Cr1 71(2) .
C24B C25B Cr1 70(2) .
C26B C25B H25B 125.4 .
C24B C25B H25B 125.3 .
Cr1 C25B H25B 119.0 .
C25B C26B C22B 107.4(12) .
C25B C26B Cr1 74(2) .
C22B C26B Cr1 72(2) .
C25B C26B H26B 126.2 .
C22B C26B H26B 126.2 .
Cr1 C26B H26B 123.4 .
C27 C27 C28 100.0(8) 3_666
C27 C27 H27A 111.8 3_666
C28 C27 H27A 111.8 .
C27 C27 H27B 111.8 3_666
C28 C27 H27B 111.8 .
H27A C27 H27B 109.5 .
C29 C28 C27 111.7(7) .
C29 C28 H28A 109.3 .
C27 C28 H28A 109.3 .
C29 C28 H28B 109.3 .
C27 C28 H28B 109.3 .
H28A C28 H28B 107.9 .
C28 C29 H29A 109.4 .
C28 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
C28 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
C27B C27B C28B 100.5(10) 3_666
C27B C27B H27C 111.7 3_666
C28B C27B H27C 111.6 .
C27B C27B H27D 111.7 3_666
C28B C27B H27D 111.7 .
H27C C27B H27D 109.4 .
C29B C28B C27B 105.1(10) .
C29B C28B H28C 110.8 .
C27B C28B H28C 110.8 .
C29B C28B H28D 110.7 .
C27B C28B H28D 110.7 .
H28C C28B H28D 108.8 .
C28B C29B H29D 109.4 .
C28B C29B H29E 109.5 .
H29D C29B H29E 109.5 .
C28B C29B H29F 109.5 .
H29D C29B H29F 109.5 .
H29E C29B H29F 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.515(3) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 N1 1.328(2) .
C2 C3 1.396(3) .
C3 C4 1.399(3) .
C3 H3 0.9500 .
C4 N2 1.331(3) .
C4 C5 1.507(3) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.399(3) .
C6 C11 1.405(3) .
C6 N1 1.443(2) .
C7 C8 1.394(3) .
C7 C12 1.501(3) .
C8 C9 1.376(4) .
C8 H8 0.9500 .
C9 C10 1.384(4) .
C9 H9 0.9500 .
C10 C11 1.392(3) .
C10 H10 0.9500 .
C11 C13 1.502(3) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C13 H13D 0.9800 .
C13 H13E 0.9800 .
C13 H13F 0.9800 .
C14 C19 1.403(3) .
C14 C15 1.405(3) .
C14 N2 1.440(3) .
C15 C16 1.394(3) .
C15 C20 1.506(3) .
C16 C17 1.380(4) .
C16 H16 0.9500 .
C17 C18 1.370(4) .
C17 H17 0.9500 .
C18 C19 1.389(3) .
C18 H18 0.9500 .
C19 C21 1.501(3) .
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 1.395(10) .
C22 C26 1.410(9) .
C22 Cr1 2.23(2) .
C22 H22 0.9500 .
C23 C24 1.369(10) .
C23 Cr1 2.24(2) .
C23 H23 0.9500 .
C24 C25 1.387(9) .
C24 Cr1 2.23(2) .
C24 H24 0.9500 .
C25 C26 1.377(10) .
C25 Cr1 2.23(2) .
C25 H25 0.9500 .
C26 Cr1 2.241(18) .
C26 H26 0.9500 .
N1 Cr1 2.0182(16) .
N2 Cr1 2.0195(16) .
Cr1 C22B 2.27(5) .
Cr1 C23B 2.27(4) .
Cr1 C24B 2.26(4) .
Cr1 C26B 2.27(3) .
Cr1 C25B 2.31(4) .
Cr1 Cl1 2.3082(5) .
C22B C23B 1.399(15) .
C22B C26B 1.400(14) .
C22B H22B 0.9500 .
C23B C24B 1.365(15) .
C23B H23B 0.9500 .
C24B C25B 1.391(15) .
C24B H24B 0.9500 .
C25B C26B 1.382(14) .
C25B H25B 0.9500 .
C26B H26B 0.9500 .
C27 C27 1.513(12) 3_666
C27 C28 1.532(8) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.485(8) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C27B C27B 1.492(14) 3_666
C27B C28B 1.538(10) .
C27B H27C 0.9900 .
C27B H27D 0.9900 .
C28B C29B 1.537(10) .
C28B H28C 0.9900 .
C28B H28D 0.9900 .
C29B H29D 0.9800 .
C29B H29E 0.9800 .
C29B H29F 0.9800 .
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 -13.8(3) .
C1 C2 C3 C4 163.7(2) .
C2 C3 C4 N2 13.4(3) .
C2 C3 C4 C5 -164.34(19) .
C11 C6 C7 C8 -2.3(3) .
N1 C6 C7 C8 175.69(18) .
C11 C6 C7 C12 177.72(19) .
N1 C6 C7 C12 -4.3(3) .
C6 C7 C8 C9 1.2(3) .
C12 C7 C8 C9 -178.8(2) .
C7 C8 C9 C10 0.8(4) .
C8 C9 C10 C11 -1.7(4) .
C9 C10 C11 C6 0.6(3) .
C9 C10 C11 C13 -178.5(2) .
C7 C6 C11 C10 1.5(3) .
N1 C6 C11 C10 -176.61(18) .
C7 C6 C11 C13 -179.44(19) .
N1 C6 C11 C13 2.5(3) .
C19 C14 C15 C16 -4.5(3) .
N2 C14 C15 C16 171.1(2) .
C19 C14 C15 C20 177.3(2) .
N2 C14 C15 C20 -7.2(3) .
C14 C15 C16 C17 1.6(4) .
C20 C15 C16 C17 179.9(3) .
C15 C16 C17 C18 1.8(5) .
C16 C17 C18 C19 -2.5(5) .
C17 C18 C19 C14 -0.3(4) .
C17 C18 C19 C21 -180.0(3) .
C15 C14 C19 C18 3.8(4) .
N2 C14 C19 C18 -171.7(2) .
C15 C14 C19 C21 -176.5(2) .
N2 C14 C19 C21 8.0(3) .
C26 C22 C23 C24 0(2) .
Cr1 C22 C23 C24 -63.0(15) .
C26 C22 C23 Cr1 63.5(15) .
C22 C23 C24 C25 -1(3) .
Cr1 C23 C24 C25 -63.4(16) .
C22 C23 C24 Cr1 62.8(15) .
C23 C24 C25 C26 0(3) .
Cr1 C24 C25 C26 -63.4(16) .
C23 C24 C25 Cr1 63.8(16) .
C24 C25 C26 C22 0(3) .
Cr1 C25 C26 C22 -63.1(15) .
C24 C25 C26 Cr1 63.1(17) .
C23 C22 C26 C25 0(2) .
Cr1 C22 C26 C25 63.2(15) .
C23 C22 C26 Cr1 -63.5(16) .
C3 C2 N1 C6 167.57(18) .
C1 C2 N1 C6 -9.9(3) .
C3 C2 N1 Cr1 -14.8(3) .
C1 C2 N1 Cr1 167.79(14) .
C7 C6 N1 C2 99.5(2) .
C11 C6 N1 C2 -82.4(2) .
C7 C6 N1 Cr1 -78.2(2) .
C11 C6 N1 Cr1 99.90(18) .
C3 C4 N2 C14 -168.81(18) .
C5 C4 N2 C14 8.9(3) .
C3 C4 N2 Cr1 15.3(3) .
C5 C4 N2 Cr1 -166.96(14) .
C19 C14 N2 C4 -96.0(2) .
C15 C14 N2 C4 88.5(2) .
C19 C14 N2 Cr1 80.0(2) .
C15 C14 N2 Cr1 -95.5(2) .
C2 N1 Cr1 N2 30.24(15) .
C6 N1 Cr1 N2 -152.15(14) .
C2 N1 Cr1 C22B -163.1(10) .
C6 N1 Cr1 C22B 14.5(10) .
C2 N1 Cr1 C24 140.4(5) .
C6 N1 Cr1 C24 -42.0(5) .
C2 N1 Cr1 C26 -176.6(12) .
C6 N1 Cr1 C26 1.0(12) .
C2 N1 Cr1 C25 125.7(6) .
C6 N1 Cr1 C25 -56.7(6) .
C2 N1 Cr1 C23B 165.4(11) .
C6 N1 Cr1 C23B -17.0(11) .
C2 N1 Cr1 C23 175.7(6) .
C6 N1 Cr1 C23 -6.7(6) .
C2 N1 Cr1 C22 -157.1(6) .
C6 N1 Cr1 C22 20.5(6) .
C2 N1 Cr1 C24B 133.3(10) .
C6 N1 Cr1 C24B -49.1(10) .
C2 N1 Cr1 C26B -165.0(14) .
C6 N1 Cr1 C26B 12.7(14) .
C2 N1 Cr1 C25B 131.6(13) .
C6 N1 Cr1 C25B -50.8(14) .
C2 N1 Cr1 Cl1 -62.95(14) .
C6 N1 Cr1 Cl1 114.66(13) .
C4 N2 Cr1 N1 -30.56(15) .
C14 N2 Cr1 N1 153.56(14) .
C4 N2 Cr1 C22B 180(3) .
C14 N2 Cr1 C22B 4(3) .
C4 N2 Cr1 C24 -133.6(5) .
C14 N2 Cr1 C24 50.5(5) .
C4 N2 Cr1 C26 161.3(5) .
C14 N2 Cr1 C26 -14.6(5) .
C4 N2 Cr1 C25 -166.9(6) .
C14 N2 Cr1 C25 17.2(6) .
C4 N2 Cr1 C23B -124.6(12) .
C14 N2 Cr1 C23B 59.5(12) .
C4 N2 Cr1 C23 -129.3(7) .
C14 N2 Cr1 C23 54.8(7) .
C4 N2 Cr1 C22 161.6(10) .
C14 N2 Cr1 C22 -14.3(10) .
C4 N2 Cr1 C24B -139.1(9) .
C14 N2 Cr1 C24B 45.1(9) .
C4 N2 Cr1 C26B 159.1(8) .
C14 N2 Cr1 C26B -16.8(8) .
C4 N2 Cr1 C25B -174.5(10) .
C14 N2 Cr1 C25B 9.6(10) .
C4 N2 Cr1 Cl1 63.76(14) .
C14 N2 Cr1 Cl1 -112.13(13) .
C23 C24 Cr1 N1 80.9(9) .
C25 C24 Cr1 N1 -162.7(10) .
C23 C24 Cr1 N2 175.7(9) .
C25 C24 Cr1 N2 -67.8(10) .
C23 C24 Cr1 C22B -26.5(13) .
C25 C24 Cr1 C22B 89.9(14) .
C23 C24 Cr1 C26 -79.8(8) .
C25 C24 Cr1 C26 36.6(7) .
C23 C24 Cr1 C25 -116.4(11) .
C23 C24 Cr1 C23B 10(2) .
C25 C24 Cr1 C23B 126(2) .
C25 C24 Cr1 C23 116.4(11) .
C23 C24 Cr1 C22 -37.3(7) .
C25 C24 Cr1 C22 79.1(8) .
C23 C24 Cr1 C24B -148(8) .
C25 C24 Cr1 C24B -31(7) .
C23 C24 Cr1 C26B -68.6(12) .
C25 C24 Cr1 C26B 47.8(13) .
C23 C24 Cr1 C25B -107.0(16) .
C25 C24 Cr1 C25B 9.5(17) .
C23 C24 Cr1 Cl1 -43.1(17) .
C25 C24 Cr1 Cl1 73.4(17) .
C25 C26 Cr1 N1 -87.0(18) .
C22 C26 Cr1 N1 28.7(19) .
C25 C26 Cr1 N2 64.0(10) .
C22 C26 Cr1 N2 179.7(9) .
C25 C26 Cr1 C22B -105.0(17) .
C22 C26 Cr1 C22B 10.7(18) .
C25 C26 Cr1 C24 -36.9(7) .
C22 C26 Cr1 C24 78.8(8) .
C22 C26 Cr1 C25 115.7(11) .
C25 C26 Cr1 C23B -66.8(13) .
C22 C26 Cr1 C23B 48.9(14) .
C25 C26 Cr1 C23 -78.1(8) .
C22 C26 Cr1 C23 37.6(7) .
C25 C26 Cr1 C22 -115.7(11) .
C25 C26 Cr1 C24B -27.0(13) .
C22 C26 Cr1 C24B 88.7(14) .
C25 C26 Cr1 C26B -127(6) .
C22 C26 Cr1 C26B -11(6) .
C25 C26 Cr1 C25B 3(2) .
C22 C26 Cr1 C25B 119(2) .
C25 C26 Cr1 Cl1 159.7(10) .
C22 C26 Cr1 Cl1 -84.6(10) .
C26 C25 Cr1 N1 142.6(10) .
C24 C25 Cr1 N1 24.8(13) .
C26 C25 Cr1 N2 -123.2(10) .
C24 C25 Cr1 N2 119.0(10) .
C26 C25 Cr1 C22B 50.4(13) .
C24 C25 Cr1 C22B -67.3(13) .
C26 C25 Cr1 C24 117.8(11) .
C24 C25 Cr1 C26 -117.8(11) .
C26 C25 Cr1 C23B 91.9(14) .
C24 C25 Cr1 C23B -25.8(14) .
C26 C25 Cr1 C23 80.6(8) .
C24 C25 Cr1 C23 -37.2(7) .
C26 C25 Cr1 C22 38.4(7) .
C24 C25 Cr1 C22 -79.4(8) .
C26 C25 Cr1 C24B 127(2) .
C24 C25 Cr1 C24B 10(2) .
C26 C25 Cr1 C26B 11.6(15) .
C24 C25 Cr1 C26B -106.1(15) .
C26 C25 Cr1 C25B -12(8) .
C24 C25 Cr1 C25B -129(8) .
C26 C25 Cr1 Cl1 -26.4(12) .
C24 C25 Cr1 Cl1 -144.1(10) .
C24 C23 Cr1 N1 -104.4(10) .
C22 C23 Cr1 N1 138.3(10) .
C24 C23 Cr1 N2 -7.0(14) .
C22 C23 Cr1 N2 -124.3(12) .
C24 C23 Cr1 C22B 125(2) .
C22 C23 Cr1 C22B 8(2) .
C22 C23 Cr1 C24 -117.3(11) .
C24 C23 Cr1 C26 79.3(8) .
C22 C23 Cr1 C26 -38.0(7) .
C24 C23 Cr1 C25 37.7(7) .
C22 C23 Cr1 C25 -79.5(8) .
C24 C23 Cr1 C23B -25(6) .
C22 C23 Cr1 C23B -143(7) .
C24 C23 Cr1 C22 117.3(11) .
C24 C23 Cr1 C24B 6.9(16) .
C22 C23 Cr1 C24B -110.3(15) .
C24 C23 Cr1 C26B 88.4(13) .
C22 C23 Cr1 C26B -28.9(13) .
C24 C23 Cr1 C25B 47.1(13) .
C22 C23 Cr1 C25B -70.2(13) .
C24 C23 Cr1 Cl1 157.8(9) .
C22 C23 Cr1 Cl1 40.5(10) .
C23 C22 Cr1 N1 -50.3(10) .
C26 C22 Cr1 N1 -166.4(8) .
C23 C22 Cr1 N2 115.6(14) .
C26 C22 Cr1 N2 -0.6(17) .
C23 C22 Cr1 C22B -19(6) .
C26 C22 Cr1 C22B -135(7) .
C23 C22 Cr1 C24 36.7(6) .
C26 C22 Cr1 C24 -79.5(8) .
C23 C22 Cr1 C26 116.2(11) .
C23 C22 Cr1 C25 78.6(8) .
C26 C22 Cr1 C25 -37.5(7) .
C23 C22 Cr1 C23B 9.0(16) .
C26 C22 Cr1 C23B -107.2(17) .
C26 C22 Cr1 C23 -116.2(11) .
C23 C22 Cr1 C24B 46.0(12) .
C26 C22 Cr1 C24B -70.1(13) .
C23 C22 Cr1 C26B 120(2) .
C26 C22 Cr1 C26B 4(2) .
C23 C22 Cr1 C25B 86.2(13) .
C26 C22 Cr1 C25B -29.9(14) .
C23 C22 Cr1 Cl1 -146.1(10) .
C26 C22 Cr1 Cl1 97.8(10) .
N1 Cr1 C22B C23B -63.2(19) .
N2 Cr1 C22B C23B 84(4) .
C24 Cr1 C22B C23B 27.0(15) .
C26 Cr1 C22B C23B 109(2) .
C25 Cr1 C22B C23B 69.0(16) .
C23 Cr1 C22B C23B -9(2) .
C22 Cr1 C22B C23B 146(7) .
C24B Cr1 C22B C23B 35.9(12) .
C26B Cr1 C22B C23B 115(2) .
C25B Cr1 C22B C23B 77.4(14) .
Cl1 Cr1 C22B C23B -160.9(18) .
N1 Cr1 C22B C26B -178.3(16) .
N2 Cr1 C22B C26B -31(4) .
C24 Cr1 C22B C26B -88.1(16) .
C26 Cr1 C22B C26B -6.3(17) .
C25 Cr1 C22B C26B -46.1(15) .
C23B Cr1 C22B C26B -115(2) .
C23 Cr1 C22B C26B -124(3) .
C22 Cr1 C22B C26B 30(6) .
C24B Cr1 C22B C26B -79.2(14) .
C25B Cr1 C22B C26B -37.7(11) .
Cl1 Cr1 C22B C26B 84.0(18) .
C26B C22B C23B C24B 2(5) .
Cr1 C22B C23B C24B -63(3) .
C26B C22B C23B Cr1 64(3) .
N1 Cr1 C23B C24B -118.3(19) .
N2 Cr1 C23B C24B -25(2) .
C22B Cr1 C23B C24B 118(2) .
C24 Cr1 C23B C24B -6(2) .
C26 Cr1 C23B C24B 70.1(16) .
C25 Cr1 C23B C24B 29.3(15) .
C23 Cr1 C23B C24B 140(7) .
C22 Cr1 C23B C24B 110(2) .
C26B Cr1 C23B C24B 80.0(15) .
C25B Cr1 C23B C24B 38.6(13) .
Cl1 Cr1 C23B C24B 143.7(18) .
N1 Cr1 C23B C22B 123.5(19) .
N2 Cr1 C23B C22B -143(2) .
C24 Cr1 C23B C22B -124(3) .
C26 Cr1 C23B C22B -48.1(16) .
C25 Cr1 C23B C22B -88.9(17) .
C23 Cr1 C23B C22B 22(6) .
C22 Cr1 C23B C22B -8.6(18) .
C24B Cr1 C23B C22B -118(2) .
C26B Cr1 C23B C22B -38.2(12) .
C25B Cr1 C23B C22B -79.5(14) .
Cl1 Cr1 C23B C22B 26(2) .
C22B C23B C24B C25B -5(5) .
Cr1 C23B C24B C25B -67(3) .
C22B C23B C24B Cr1 62(3) .
N1 Cr1 C24B C23B 67.6(19) .
N2 Cr1 C24B C23B 162.1(18) .
C22B Cr1 C24B C23B -36.8(13) .
C24 Cr1 C24B C23B 17(7) .
C26 Cr1 C24B C23B -89.8(17) .
C25 Cr1 C24B C23B -123(3) .
C23 Cr1 C24B C23B -9.7(18) .
C22 Cr1 C24B C23B -48.0(17) .
C26B Cr1 C24B C23B -78.6(15) .
C25B Cr1 C24B C23B -114(2) .
Cl1 Cr1 C24B C23B -75(3) .
N1 Cr1 C24B C25B -178.3(18) .
N2 Cr1 C24B C25B -83.7(19) .
C22B Cr1 C24B C25B 77.4(15) .
C24 Cr1 C24B C25B 131(8) .
C26 Cr1 C24B C25B 24.3(15) .
C25 Cr1 C24B C25B -9(2) .
C23B Cr1 C24B C25B 114(2) .
C23 Cr1 C24B C25B 104(2) .
C22 Cr1 C24B C25B 66.1(17) .
C26B Cr1 C24B C25B 35.5(13) .
Cl1 Cr1 C24B C25B 39(4) .
C23B C24B C25B C26B 6(5) .
Cr1 C24B C25B C26B -61(3) .
C23B C24B C25B Cr1 66(3) .
N1 Cr1 C25B C26B 122(2) .
N2 Cr1 C25B C26B -138.5(19) .
C22B Cr1 C25B C26B 38.6(12) .
C24 Cr1 C25B C26B 109(2) .
C26 Cr1 C25B C26B -13.0(19) .
C25 Cr1 C25B C26B 152(9) .
C23B Cr1 C25B C26B 81.1(14) .
C23 Cr1 C25B C26B 69.3(16) .
C22 Cr1 C25B C26B 26.5(15) .
C24B Cr1 C25B C26B 119(2) .
Cl1 Cr1 C25B C26B -41(2) .
N1 Cr1 C25B C24B 3(3) .
N2 Cr1 C25B C24B 102.2(19) .
C22B Cr1 C25B C24B -80.7(15) .
C24 Cr1 C25B C24B -10.2(18) .
C26 Cr1 C25B C24B -132(3) .
C25 Cr1 C25B C24B 33(8) .
C23B Cr1 C25B C24B -38.2(13) .
C23 Cr1 C25B C24B -50.0(17) .
C22 Cr1 C25B C24B -92.8(18) .
C26B Cr1 C25B C24B -119(2) .
Cl1 Cr1 C25B C24B -160.3(18) .
C24B C25B C26B C22B -5(5) .
Cr1 C25B C26B C22B -65(3) .
C24B C25B C26B Cr1 60(3) .
C23B C22B C26B C25B 2(5) .
Cr1 C22B C26B C25B 66(3) .
C23B C22B C26B Cr1 -64(3) .
N1 Cr1 C26B C25B -112(3) .
N2 Cr1 C26B C25B 50(2) .
C22B Cr1 C26B C25B -115(2) .
C24 Cr1 C26B C25B -46.1(16) .
C26 Cr1 C26B C25B 38(6) .
C25 Cr1 C26B C25B -5.6(18) .
C23B Cr1 C26B C25B -76.7(14) .
C23 Cr1 C26B C25B -87.9(17) .
C22 Cr1 C26B C25B -127(3) .
C24B Cr1 C26B C25B -35.8(12) .
Cl1 Cr1 C26B C25B 145.8(19) .
N1 Cr1 C26B C22B 3(3) .
N2 Cr1 C26B C22B 165.1(18) .
C24 Cr1 C26B C22B 68.7(16) .
C26 Cr1 C26B C22B 153(7) .
C25 Cr1 C26B C22B 109.2(18) .
C23B Cr1 C26B C22B 38.1(12) .
C23 Cr1 C26B C22B 26.9(16) .
C22 Cr1 C26B C22B -12(2) .
C24B Cr1 C26B C22B 79.0(14) .
C25B Cr1 C26B C22B 115(2) .
Cl1 Cr1 C26B C22B -99.4(19) .
C27 C27 C28 C29 168.4(9) 3_666
C27B C27B C28B C29B 161(2) 3_666
