#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/65/4336515.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_4336515
loop_
_publ_author_name
'Karunesh Keshav'
'Dheeraj Kumar'
'Anil J. Elias'
_publ_contact_author_address
;DEPARTMENT OF CHEMISTRY
INDIAN INSTITUTE OF TECHNOLOGY DELHI
HAUZ KHAS, NEW DELHI 110016
INDIA
;
_publ_contact_author_email       elias@chemistry.iitd.ac.in
_publ_contact_author_fax         +91-11-26581504
_publ_contact_author_name        'Prof.Anil J. Elias'
_publ_contact_author_phone       +91-11-26591504
_publ_section_title
;
 Synthesis, Spectral, and Structural Studies of Porphyrins Having
 Sterically Hindered [η5-CpCo(η4-C4Ph4)] Cobalt Sandwich Units at the
 Meso Positions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12351
_journal_page_last               12366
_journal_paper_doi               10.1021/ic401099c
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C108 H84 Cl12 Co2 N4'
_chemical_formula_sum            'C108 H84 Cl12 Co2 N4'
_chemical_formula_weight         1981.05
_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                112.919(3)
_cell_angle_beta                 107.210(3)
_cell_angle_gamma                97.881(3)
_cell_formula_units_Z            1
_cell_length_a                   11.8441(19)
_cell_length_b                   15.170(2)
_cell_length_c                   15.832(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2397.6(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0710
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12655
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    0.731
_exptl_absorpt_correction_T_max  0.906
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_description       block
_exptl_crystal_F_000             1018.0
_exptl_crystal_size_max          0.215
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.135
_refine_diff_density_max         1.287
_refine_diff_density_min         -0.886
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         8433
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1072
_refine_ls_R_factor_gt           0.0838
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1589P)²+1.2609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2309
_refine_ls_wR_factor_ref         0.2554
_reflns_number_gt                6110
_reflns_number_total             8433
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401099c_si_002_8.cif
_cod_data_source_block           11
_cod_original_sg_symbol_Hall     -P1
_cod_database_code               4336515
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
Co1 Co 0.58894(6) 0.81947(4) 0.57571(4) 0.0367(2) Uani 1 1 d .
Cl1 Cl 0.2499(2) 0.9070(2) 0.6717(3) 0.1657(14) Uani 1 1 d .
Cl2 Cl -0.0077(2) 0.8479(2) 0.6054(3) 0.1410(11) Uani 1 1 d .
Cl3 Cl 0.1101(6) 0.9388(4) 0.5178(5) 0.269(3) Uani 1 1 d .
Cl4 Cl 0.8495(5) 0.1323(3) 0.1388(3) 0.220(2) Uani 1 1 d .
Cl5 Cl 0.8059(4) 0.2666(3) 0.0665(3) 0.1951(18) Uani 1 1 d .
Cl6 Cl 0.9364(5) 0.1369(6) -0.0060(4) 0.297(4) Uani 1 1 d .
N1 N 0.5946(4) 0.9154(3) 0.9276(3) 0.0388(9) Uani 1 1 d .
N2 N 0.4828(4) 1.0574(3) 0.8991(3) 0.0397(9) Uani 1 1 d .
H2A H 0.4849 1.0258 0.9341 0.048 Uiso 1 1 calc R
C1 C 0.6417(4) 0.8488(3) 0.9566(3) 0.0406(11) Uani 1 1 d .
C2 C 0.7055(5) 0.8044(4) 0.8948(3) 0.0457(12) Uani 1 1 d .
H2 H 0.7476 0.7580 0.8995 0.055 Uiso 1 1 calc R
C3 C 0.6944(5) 0.8405(4) 0.8296(4) 0.0455(12) Uani 1 1 d .
H3 H 0.7268 0.8234 0.7805 0.055 Uiso 1 1 calc R
C4 C 0.6234(4) 0.9109(3) 0.8476(3) 0.0374(10) Uani 1 1 d .
C5 C 0.5888(4) 0.9649(3) 0.7961(3) 0.0368(10) Uani 1 1 d .
C6 C 0.5291(4) 1.0388(3) 0.8260(3) 0.0384(10) Uani 1 1 d .
C7 C 0.5096(5) 1.1104(4) 0.7890(4) 0.0461(12) Uani 1 1 d .
H7 H 0.5337 1.1161 0.7400 0.055 Uiso 1 1 calc R
C8 C 0.4503(5) 1.1680(4) 0.8378(4) 0.0471(12) Uani 1 1 d .
H8 H 0.4252 1.2200 0.8282 0.057 Uiso 1 1 calc R
C9 C 0.4332(4) 1.1345(3) 0.9068(3) 0.0419(11) Uani 1 1 d .
C10 C 0.6208(4) 0.9501(3) 0.7087(3) 0.0381(10) Uani 1 1 d .
C11 C 0.5415(5) 0.9499(3) 0.6204(3) 0.0436(11) Uani 1 1 d .
H11 H 0.4573 0.9557 0.6069 0.052 Uiso 1 1 calc R
C12 C 0.6095(5) 0.9469(4) 0.5587(4) 0.0500(13) Uani 1 1 d .
H12 H 0.5803 0.9505 0.4957 0.060 Uiso 1 1 calc R
C13 C 0.7271(5) 0.9407(4) 0.6059(4) 0.0484(12) Uani 1 1 d .
H13 H 0.7933 0.9375 0.5806 0.058 Uiso 1 1 calc R
C14 C 0.7337(4) 0.9416(4) 0.6961(4) 0.0441(11) Uani 1 1 d .
H14 H 0.8048 0.9365 0.7431 0.053 Uiso 1 1 calc R
C15 C 0.4597(4) 0.6935(4) 0.5311(4) 0.0446(11) Uani 1 1 d .
C16 C 0.4682(5) 0.7098(4) 0.4477(3) 0.0438(11) Uani 1 1 d .
C17 C 0.5908(5) 0.6958(4) 0.4689(3) 0.0438(11) Uani 1 1 d .
C18 C 0.5818(4) 0.6782(3) 0.5515(3) 0.0411(11) Uani 1 1 d .
C19 C 0.3587(5) 0.6764(4) 0.5631(4) 0.0504(12) Uani 1 1 d .
C20 C 0.3776(6) 0.7015(4) 0.6615(4) 0.0620(15) Uani 1 1 d .
H20 H 0.4573 0.7320 0.7095 0.074 Uiso 1 1 calc R
C21 C 0.2819(7) 0.6825(6) 0.6894(6) 0.086(2) Uani 1 1 d .
H21 H 0.2979 0.7005 0.7559 0.103 Uiso 1 1 calc R
C22 C 0.1640(7) 0.6379(6) 0.6218(7) 0.087(2) Uani 1 1 d .
H22 H 0.0994 0.6266 0.6419 0.105 Uiso 1 1 calc R
C23 C 0.1420(6) 0.6104(5) 0.5249(7) 0.086(2) Uani 1 1 d .
H23 H 0.0618 0.5781 0.4780 0.103 Uiso 1 1 calc R
C24 C 0.2367(5) 0.6293(5) 0.4940(5) 0.0699(17) Uani 1 1 d .
H24 H 0.2192 0.6106 0.4271 0.084 Uiso 1 1 calc R
C25 C 0.3827(5) 0.7230(4) 0.3681(4) 0.0520(13) Uani 1 1 d .
C26 C 0.2974(5) 0.7754(5) 0.3847(5) 0.0689(17) Uani 1 1 d .
H26 H 0.2951 0.8037 0.4477 0.083 Uiso 1 1 calc R
C27 C 0.2157(6) 0.7860(6) 0.3083(6) 0.088(2) Uani 1 1 d .
H27 H 0.1587 0.8209 0.3200 0.105 Uiso 1 1 calc R
C28 C 0.2195(7) 0.7437(6) 0.2134(6) 0.092(2) Uani 1 1 d .
H28 H 0.1651 0.7505 0.1618 0.110 Uiso 1 1 calc R
C29 C 0.3022(6) 0.6933(5) 0.1971(5) 0.0747(19) Uani 1 1 d .
H29 H 0.3040 0.6648 0.1340 0.090 Uiso 1 1 calc R
C30 C 0.3848(5) 0.6832(4) 0.2736(4) 0.0575(14) Uani 1 1 d .
H30 H 0.4423 0.6492 0.2613 0.069 Uiso 1 1 calc R
C31 C 0.6754(5) 0.6827(4) 0.4166(3) 0.0466(12) Uani 1 1 d .
C32 C 0.6998(6) 0.7443(5) 0.3742(4) 0.0619(15) Uani 1 1 d .
H32 H 0.6638 0.7962 0.3812 0.074 Uiso 1 1 calc R
C33 C 0.7758(7) 0.7302(6) 0.3223(5) 0.085(2) Uani 1 1 d .
H33 H 0.7915 0.7727 0.2952 0.102 Uiso 1 1 calc R
C34 C 0.8283(7) 0.6538(7) 0.3105(6) 0.090(2) Uani 1 1 d .
H34 H 0.8790 0.6435 0.2747 0.108 Uiso 1 1 calc R
C35 C 0.8054(7) 0.5920(5) 0.3520(5) 0.0779(19) Uani 1 1 d .
H35 H 0.8422 0.5406 0.3447 0.093 Uiso 1 1 calc R
C36 C 0.7293(5) 0.6052(4) 0.4038(4) 0.0581(14) Uani 1 1 d .
H36 H 0.7138 0.5621 0.4304 0.070 Uiso 1 1 calc R
C37 C 0.6544(5) 0.6409(3) 0.6167(3) 0.0440(11) Uani 1 1 d .
C38 C 0.7823(5) 0.6671(4) 0.6508(4) 0.0567(14) Uani 1 1 d .
H38 H 0.8233 0.7073 0.6308 0.068 Uiso 1 1 calc R
C39 C 0.8488(7) 0.6344(5) 0.7135(5) 0.077(2) Uani 1 1 d .
H39 H 0.9344 0.6517 0.7353 0.092 Uiso 1 1 calc R
C40 C 0.7879(9) 0.5754(5) 0.7441(5) 0.083(2) Uani 1 1 d .
H40 H 0.8327 0.5551 0.7886 0.100 Uiso 1 1 calc R
C41 C 0.6636(8) 0.5477(5) 0.7094(5) 0.0754(19) Uani 1 1 d .
H41 H 0.6232 0.5067 0.7289 0.090 Uiso 1 1 calc R
C42 C 0.5947(6) 0.5794(4) 0.6447(4) 0.0564(14) Uani 1 1 d .
H42 H 0.5090 0.5590 0.6205 0.068 Uiso 1 1 calc R
C43 C 0.6282(5) 0.8242(4) 1.0298(3) 0.0433(11) Uani 1 1 d .
C44 C 0.6852(5) 0.7455(4) 1.0410(3) 0.0433(11) Uani 1 1 d .
C45 C 0.6185(5) 0.6448(4) 0.9837(4) 0.0554(14) Uani 1 1 d .
C46 C 0.6770(7) 0.5733(4) 0.9937(4) 0.0690(17) Uani 1 1 d .
H46 H 0.6326 0.5061 0.9572 0.083 Uiso 1 1 calc R
C47 C 0.7986(6) 0.5996(5) 1.0559(4) 0.0660(17) Uani 1 1 d .
C48 C 0.8604(5) 0.6977(5) 1.1106(4) 0.0573(14) Uani 1 1 d .
H48 H 0.9419 0.7158 1.1538 0.069 Uiso 1 1 calc R
C49 C 0.8080(5) 0.7724(4) 1.1054(4) 0.0507(13) Uani 1 1 d .
C50 C 0.4859(6) 0.6133(5) 0.9122(5) 0.079(2) Uani 1 1 d .
H50A H 0.4396 0.6501 0.9459 0.119 Uiso 1 1 calc R
H50B H 0.4504 0.5431 0.8882 0.119 Uiso 1 1 calc R
H50C H 0.4836 0.6266 0.8573 0.119 Uiso 1 1 calc R
C51 C 0.8825(6) 0.8801(5) 1.1686(5) 0.0741(18) Uani 1 1 d .
H51A H 0.9661 0.8840 1.2031 0.111 Uiso 1 1 calc R
H51B H 0.8478 0.9125 1.2159 0.111 Uiso 1 1 calc R
H51C H 0.8811 0.9127 1.1272 0.111 Uiso 1 1 calc R
C52 C 0.8613(9) 0.5208(6) 1.0637(6) 0.105(3) Uani 1 1 d .
H52A H 0.8827 0.4917 1.0071 0.158 Uiso 1 1 calc R
H52B H 0.8062 0.4699 1.0659 0.158 Uiso 1 1 calc R
H52C H 0.9347 0.5512 1.1232 0.158 Uiso 1 1 calc R
C53 C 0.1154(8) 0.8613(7) 0.5730(7) 0.106(3) Uani 1 1 d .
H53 H 0.1128 0.7955 0.5251 0.127 Uiso 1 1 calc R
C54 C 0.8260(9) 0.1530(7) 0.0368(6) 0.130(4) Uani 1 1 d .
H54 H 0.7488 0.1042 -0.0157 0.156 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
C16 Co1 C17 43.1(2) . .
C16 Co1 C15 43.1(2) . .
C17 Co1 C15 62.7(2) . .
C16 Co1 C18 61.99(19) . .
C17 Co1 C18 42.98(19) . .
C15 Co1 C18 42.60(19) . .
C16 Co1 C12 107.2(2) . .
C17 Co1 C12 118.0(2) . .
C15 Co1 C12 140.3(2) . .
C18 Co1 C12 160.81(19) . .
C16 Co1 C11 114.5(2) . .
C17 Co1 C11 150.6(2) . .
C15 Co1 C11 117.4(2) . .
C18 Co1 C11 156.4(2) . .
C12 Co1 C11 40.9(2) . .
C16 Co1 C13 130.8(2) . .
C17 Co1 C13 110.3(2) . .
C15 Co1 C13 172.77(19) . .
C18 Co1 C13 133.8(2) . .
C12 Co1 C13 39.9(2) . .
C11 Co1 C13 67.6(2) . .
C16 Co1 C14 169.6(2) . .
C17 Co1 C14 131.4(2) . .
C15 Co1 C14 146.6(2) . .
C18 Co1 C14 121.4(2) . .
C12 Co1 C14 66.4(2) . .
C11 Co1 C14 66.7(2) . .
C13 Co1 C14 39.11(19) . .
C16 Co1 C10 147.67(19) . .
C17 Co1 C10 168.37(19) . .
C15 Co1 C10 120.83(19) . .
C18 Co1 C10 130.68(18) . .
C12 Co1 C10 67.27(19) . .
C11 Co1 C10 39.97(18) . .
C13 Co1 C10 66.39(18) . .
C14 Co1 C10 39.17(18) . .
C1 N1 C4 108.1(4) . .
C9 N2 C6 108.3(4) . .
C9 N2 H2A 125.8 . .
C6 N2 H2A 125.8 . .
N1 C1 C43 127.8(4) . .
N1 C1 C2 107.9(4) . .
C43 C1 C2 124.3(4) . .
C3 C2 C1 108.5(4) . .
C3 C2 H2 125.8 . .
C1 C2 H2 125.8 . .
C2 C3 C4 108.4(4) . .
C2 C3 H3 125.8 . .
C4 C3 H3 125.8 . .
C5 C4 N1 125.2(4) . .
C5 C4 C3 127.7(4) . .
N1 C4 C3 107.2(4) . .
C4 C5 C6 122.8(4) . .
C4 C5 C10 120.0(4) . .
C6 C5 C10 117.1(4) . .
N2 C6 C5 125.7(4) . .
N2 C6 C7 107.6(4) . .
C5 C6 C7 126.7(4) . .
C8 C7 C6 107.9(4) . .
C8 C7 H7 126.1 . .
C6 C7 H7 126.1 . .
C7 C8 C9 107.3(4) . .
C7 C8 H8 126.3 . .
C9 C8 H8 126.3 . .
N2 C9 C43 127.3(4) . 2_677
N2 C9 C8 108.9(4) . .
C43 C9 C8 123.8(4) 2_677 .
C14 C10 C11 106.1(4) . .
C14 C10 C5 129.4(4) . .
C11 C10 C5 124.3(4) . .
C14 C10 Co1 69.2(3) . .
C11 C10 Co1 66.4(2) . .
C5 C10 Co1 132.3(3) . .
C12 C11 C10 108.2(4) . .
C12 C11 Co1 69.5(3) . .
C10 C11 Co1 73.6(3) . .
C12 C11 H11 125.8 . .
C10 C11 H11 125.8 . .
Co1 C11 H11 125.8 . .
C13 C12 C11 107.8(4) . .
C13 C12 Co1 71.3(3) . .
C11 C12 Co1 69.5(3) . .
C13 C12 H12 126.1 . .
C11 C12 H12 126.1 . .
Co1 C12 H12 126.1 . .
C14 C13 C12 108.2(4) . .
C14 C13 Co1 71.7(3) . .
C12 C13 Co1 68.8(3) . .
C14 C13 H13 125.9 . .
C12 C13 H13 125.9 . .
Co1 C13 H13 125.9 . .
C13 C14 C10 109.6(4) . .
C13 C14 Co1 69.2(3) . .
C10 C14 Co1 71.6(3) . .
C13 C14 H14 125.2 . .
C10 C14 H14 125.2 . .
Co1 C14 H14 125.2 . .
C18 C15 C19 135.4(5) . .
C18 C15 C16 89.5(4) . .
C19 C15 C16 133.6(4) . .
C18 C15 Co1 69.1(3) . .
C19 C15 Co1 130.2(4) . .
C16 C15 Co1 67.8(3) . .
C17 C16 C15 90.5(4) . .
C17 C16 C25 134.4(5) . .
C15 C16 C25 134.8(5) . .
C17 C16 Co1 68.6(3) . .
C15 C16 Co1 69.1(3) . .
C25 C16 Co1 125.3(3) . .
C16 C17 C18 89.5(4) . .
C16 C17 C31 134.8(4) . .
C18 C17 C31 134.5(4) . .
C16 C17 Co1 68.3(3) . .
C18 C17 Co1 69.4(3) . .
C31 C17 Co1 128.8(4) . .
C15 C18 C17 90.4(4) . .
C15 C18 C37 133.8(4) . .
C17 C18 C37 134.9(4) . .
C15 C18 Co1 68.3(3) . .
C17 C18 Co1 67.6(3) . .
C37 C18 Co1 129.5(3) . .
C20 C19 C24 116.5(5) . .
C20 C19 C15 122.6(5) . .
C24 C19 C15 120.9(5) . .
C21 C20 C19 121.6(6) . .
C21 C20 H20 119.2 . .
C19 C20 H20 119.2 . .
C22 C21 C20 121.4(7) . .
C22 C21 H21 119.3 . .
C20 C21 H21 119.3 . .
C23 C22 C21 118.9(7) . .
C23 C22 H22 120.6 . .
C21 C22 H22 120.6 . .
C22 C23 C24 121.3(7) . .
C22 C23 H23 119.3 . .
C24 C23 H23 119.3 . .
C23 C24 C19 120.4(7) . .
C23 C24 H24 119.8 . .
C19 C24 H24 119.8 . .
C30 C25 C26 118.1(5) . .
C30 C25 C16 120.7(5) . .
C26 C25 C16 121.3(5) . .
C27 C26 C25 120.7(6) . .
C27 C26 H26 119.7 . .
C25 C26 H26 119.7 . .
C26 C27 C28 119.6(7) . .
C26 C27 H27 120.2 . .
C28 C27 H27 120.2 . .
C29 C28 C27 119.8(6) . .
C29 C28 H28 120.1 . .
C27 C28 H28 120.1 . .
C28 C29 C30 120.7(7) . .
C28 C29 H29 119.6 . .
C30 C29 H29 119.6 . .
C25 C30 C29 121.0(6) . .
C25 C30 H30 119.5 . .
C29 C30 H30 119.5 . .
C36 C31 C32 117.9(5) . .
C36 C31 C17 120.8(5) . .
C32 C31 C17 121.3(5) . .
C33 C32 C31 121.4(6) . .
C33 C32 H32 119.3 . .
C31 C32 H32 119.3 . .
C34 C33 C32 120.1(6) . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C33 C34 C35 119.4(6) . .
C33 C34 H34 120.3 . .
C35 C34 H34 120.3 . .
C36 C35 C34 121.1(6) . .
C36 C35 H35 119.5 . .
C34 C35 H35 119.5 . .
C35 C36 C31 120.1(6) . .
C35 C36 H36 119.9 . .
C31 C36 H36 119.9 . .
C42 C37 C38 119.1(5) . .
C42 C37 C18 119.7(5) . .
C38 C37 C18 121.2(5) . .
C39 C38 C37 120.6(6) . .
C39 C38 H38 119.7 . .
C37 C38 H38 119.7 . .
C38 C39 C40 119.8(7) . .
C38 C39 H39 120.1 . .
C40 C39 H39 120.1 . .
C41 C40 C39 119.8(6) . .
C41 C40 H40 120.1 . .
C39 C40 H40 120.1 . .
C40 C41 C42 121.0(7) . .
C40 C41 H41 119.5 . .
C42 C41 H41 119.5 . .
C37 C42 C41 119.5(6) . .
C37 C42 H42 120.2 . .
C41 C42 H42 120.2 . .
C1 C43 C9 126.9(4) . 2_677
C1 C43 C44 115.5(4) . .
C9 C43 C44 117.6(4) 2_677 .
C45 C44 C49 119.8(5) . .
C45 C44 C43 120.2(5) . .
C49 C44 C43 119.9(5) . .
C44 C45 C46 118.4(5) . .
C44 C45 C50 121.0(5) . .
C46 C45 C50 120.6(6) . .
C47 C46 C45 121.9(6) . .
C47 C46 H46 119.0 . .
C45 C46 H46 119.0 . .
C48 C47 C46 118.2(5) . .
C48 C47 C52 120.7(6) . .
C46 C47 C52 121.1(7) . .
C47 C48 C49 123.0(6) . .
C47 C48 H48 118.5 . .
C49 C48 H48 118.5 . .
C48 C49 C44 118.7(5) . .
C48 C49 C51 120.1(5) . .
C44 C49 C51 121.3(5) . .
C45 C50 H50A 109.5 . .
C45 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C45 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C49 C51 H51A 109.5 . .
C49 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C49 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C47 C52 H52A 109.5 . .
C47 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C47 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
Cl1 C53 Cl2 111.7(6) . .
Cl1 C53 Cl3 109.0(6) . .
Cl2 C53 Cl3 110.9(5) . .
Cl1 C53 H53 108.4 . .
Cl2 C53 H53 108.4 . .
Cl3 C53 H53 108.4 . .
Cl6 C54 Cl5 113.5(8) . .
Cl6 C54 Cl4 112.6(7) . .
Cl5 C54 Cl4 107.8(6) . .
Cl6 C54 H54 107.5 . .
Cl5 C54 H54 107.5 . .
Cl4 C54 H54 107.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 C16 1.981(5) .
Co1 C17 1.985(5) .
Co1 C15 2.000(5) .
Co1 C18 2.010(5) .
Co1 C12 2.045(5) .
Co1 C11 2.045(5) .
Co1 C13 2.077(5) .
Co1 C14 2.109(5) .
Co1 C10 2.140(4) .
Cl1 C53 1.686(10) .
Cl2 C53 1.695(9) .
Cl3 C53 1.713(10) .
Cl4 C54 1.713(11) .
Cl5 C54 1.672(11) .
Cl6 C54 1.647(12) .
N1 C1 1.380(6) .
N1 C4 1.386(6) .
N2 C9 1.359(6) .
N2 C6 1.372(6) .
N2 H2A 0.8600 .
C1 C43 1.392(7) .
C1 C2 1.430(6) .
C2 C3 1.329(7) .
C2 H2 0.9300 .
C3 C4 1.442(6) .
C3 H3 0.9300 .
C4 C5 1.385(6) .
C5 C6 1.407(6) .
C5 C10 1.484(6) .
C6 C7 1.437(6) .
C7 C8 1.348(7) .
C7 H7 0.9300 .
C8 C9 1.424(7) .
C8 H8 0.9300 .
C9 C43 1.413(7) 2_677
C10 C14 1.425(7) .
C10 C11 1.433(7) .
C11 C12 1.431(7) .
C11 H11 0.9800 .
C12 C13 1.407(8) .
C12 H12 0.9800 .
C13 C14 1.402(7) .
C13 H13 0.9800 .
C14 H14 0.9800 .
C15 C18 1.456(7) .
C15 C19 1.461(7) .
C15 C16 1.462(7) .
C16 C17 1.456(7) .
C16 C25 1.466(7) .
C17 C18 1.464(7) .
C17 C31 1.465(7) .
C18 C37 1.479(7) .
C19 C20 1.389(8) .
C19 C24 1.402(8) .
C20 C21 1.367(9) .
C20 H20 0.9300 .
C21 C22 1.359(11) .
C21 H21 0.9300 .
C22 C23 1.353(11) .
C22 H22 0.9300 .
C23 C24 1.387(10) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C30 1.387(7) .
C25 C26 1.392(8) .
C26 C27 1.388(9) .
C26 H26 0.9300 .
C27 C28 1.404(11) .
C27 H27 0.9300 .
C28 C29 1.346(10) .
C28 H28 0.9300 .
C29 C30 1.389(8) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C36 1.389(7) .
C31 C32 1.391(8) .
C32 C33 1.373(8) .
C32 H32 0.9300 .
C33 C34 1.364(10) .
C33 H33 0.9300 .
C34 C35 1.377(10) .
C34 H34 0.9300 .
C35 C36 1.374(8) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C42 1.376(7) .
C37 C38 1.389(7) .
C38 C39 1.371(8) .
C38 H38 0.9300 .
C39 C40 1.388(11) .
C39 H39 0.9300 .
C40 C41 1.348(11) .
C40 H40 0.9300 .
C41 C42 1.394(9) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 C9 1.413(7) 2_677
C43 C44 1.492(6) .
C44 C45 1.396(8) .
C44 C49 1.399(7) .
C45 C46 1.398(7) .
C45 C50 1.515(8) .
C46 C47 1.379(9) .
C46 H46 0.9300 .
C47 C48 1.349(9) .
C47 C52 1.517(8) .
C48 C49 1.383(7) .
C48 H48 0.9300 .
C49 C51 1.502(8) .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 H53 0.9800 .
C54 H54 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
_geom_torsion_site_symmetry_4
C4 N1 C1 C43 -175.7(5) . .
C4 N1 C1 C2 2.1(5) . .
N1 C1 C2 C3 -1.6(6) . .
C43 C1 C2 C3 176.3(5) . .
C1 C2 C3 C4 0.5(6) . .
C1 N1 C4 C5 178.2(4) . .
C1 N1 C4 C3 -1.8(5) . .
C2 C3 C4 C5 -179.2(5) . .
C2 C3 C4 N1 0.8(6) . .
N1 C4 C5 C6 6.2(7) . .
C3 C4 C5 C6 -173.9(5) . .
N1 C4 C5 C10 -177.3(4) . .
C3 C4 C5 C10 2.6(7) . .
C9 N2 C6 C5 179.5(4) . .
C9 N2 C6 C7 1.7(5) . .
C4 C5 C6 N2 -9.4(7) . .
C10 C5 C6 N2 174.0(4) . .
C4 C5 C6 C7 168.0(5) . .
C10 C5 C6 C7 -8.6(7) . .
N2 C6 C7 C8 -1.5(6) . .
C5 C6 C7 C8 -179.3(5) . .
C6 C7 C8 C9 0.8(6) . .
C6 N2 C9 C43 177.6(5) . 2_677
C6 N2 C9 C8 -1.2(5) . .
C7 C8 C9 N2 0.3(6) . .
C7 C8 C9 C43 -178.6(5) . 2_677
C4 C5 C10 C14 -43.7(7) . .
C6 C5 C10 C14 133.0(5) . .
C4 C5 C10 C11 141.8(5) . .
C6 C5 C10 C11 -41.5(6) . .
C4 C5 C10 Co1 53.7(6) . .
C6 C5 C10 Co1 -129.6(4) . .
C16 Co1 C10 C14 -166.5(3) . .
C17 Co1 C10 C14 39.5(11) . .
C15 Co1 C10 C14 143.8(3) . .
C18 Co1 C10 C14 91.9(3) . .
C12 Co1 C10 C14 -80.0(3) . .
C11 Co1 C10 C14 -119.2(4) . .
C13 Co1 C10 C14 -36.5(3) . .
C16 Co1 C10 C11 -47.3(5) . .
C17 Co1 C10 C11 158.7(9) . .
C15 Co1 C10 C11 -97.0(3) . .
C18 Co1 C10 C11 -148.8(3) . .
C12 Co1 C10 C11 39.2(3) . .
C13 Co1 C10 C11 82.8(3) . .
C14 Co1 C10 C11 119.2(4) . .
C16 Co1 C10 C5 68.5(6) . .
C17 Co1 C10 C5 -85.6(11) . .
C15 Co1 C10 C5 18.8(5) . .
C18 Co1 C10 C5 -33.1(5) . .
C12 Co1 C10 C5 155.0(5) . .
C11 Co1 C10 C5 115.8(5) . .
C13 Co1 C10 C5 -161.5(5) . .
C14 Co1 C10 C5 -125.0(5) . .
C14 C10 C11 C12 -3.1(5) . .
C5 C10 C11 C12 172.5(4) . .
Co1 C10 C11 C12 -61.3(3) . .
C14 C10 C11 Co1 58.1(3) . .
C5 C10 C11 Co1 -126.3(4) . .
C16 Co1 C11 C12 -88.4(3) . .
C17 Co1 C11 C12 -54.2(5) . .
C15 Co1 C11 C12 -136.5(3) . .
C18 Co1 C11 C12 -164.1(4) . .
C13 Co1 C11 C12 37.7(3) . .
C14 Co1 C11 C12 80.3(3) . .
C10 Co1 C11 C12 117.2(4) . .
C16 Co1 C11 C10 154.4(3) . .
C17 Co1 C11 C10 -171.4(4) . .
C15 Co1 C11 C10 106.3(3) . .
C18 Co1 C11 C10 78.7(6) . .
C12 Co1 C11 C10 -117.2(4) . .
C13 Co1 C11 C10 -79.5(3) . .
C14 Co1 C11 C10 -36.9(3) . .
C10 C11 C12 C13 2.6(5) . .
Co1 C11 C12 C13 -61.3(3) . .
C10 C11 C12 Co1 63.9(3) . .
C16 Co1 C12 C13 -134.1(3) . .
C17 Co1 C12 C13 -88.7(3) . .
C15 Co1 C12 C13 -168.7(3) . .
C18 Co1 C12 C13 -81.3(7) . .
C11 Co1 C12 C13 118.1(4) . .
C14 Co1 C12 C13 37.1(3) . .
C10 Co1 C12 C13 79.9(3) . .
C16 Co1 C12 C11 107.7(3) . .
C17 Co1 C12 C11 153.2(3) . .
C15 Co1 C12 C11 73.1(4) . .
C18 Co1 C12 C11 160.5(5) . .
C13 Co1 C12 C11 -118.1(4) . .
C14 Co1 C12 C11 -81.0(3) . .
C10 Co1 C12 C11 -38.3(3) . .
C11 C12 C13 C14 -0.9(6) . .
Co1 C12 C13 C14 -61.2(3) . .
C11 C12 C13 Co1 60.2(3) . .
C16 Co1 C13 C14 -176.2(3) . .
C17 Co1 C13 C14 -131.4(3) . .
C18 Co1 C13 C14 -88.0(4) . .
C12 Co1 C13 C14 118.8(4) . .
C11 Co1 C13 C14 80.1(3) . .
C10 Co1 C13 C14 36.5(3) . .
C16 Co1 C13 C12 65.0(4) . .
C17 Co1 C13 C12 109.8(3) . .
C18 Co1 C13 C12 153.2(3) . .
C11 Co1 C13 C12 -38.7(3) . .
C14 Co1 C13 C12 -118.8(4) . .
C10 Co1 C13 C12 -82.3(3) . .
C12 C13 C14 C10 -1.1(6) . .
Co1 C13 C14 C10 -60.4(3) . .
C12 C13 C14 Co1 59.3(3) . .
C11 C10 C14 C13 2.6(5) . .
C5 C10 C14 C13 -172.7(4) . .
Co1 C10 C14 C13 59.0(3) . .
C11 C10 C14 Co1 -56.4(3) . .
C5 C10 C14 Co1 128.3(5) . .
C16 Co1 C14 C13 16.0(12) . .
C17 Co1 C14 C13 69.5(4) . .
C15 Co1 C14 C13 172.5(3) . .
C18 Co1 C14 C13 122.3(3) . .
C12 Co1 C14 C13 -37.9(3) . .
C11 Co1 C14 C13 -82.7(3) . .
C10 Co1 C14 C13 -120.3(4) . .
C16 Co1 C14 C10 136.3(10) . .
C17 Co1 C14 C10 -170.2(3) . .
C15 Co1 C14 C10 -67.1(4) . .
C18 Co1 C14 C10 -117.3(3) . .
C12 Co1 C14 C10 82.5(3) . .
C11 Co1 C14 C10 37.6(3) . .
C13 Co1 C14 C10 120.3(4) . .
C16 Co1 C15 C18 98.4(4) . .
C17 Co1 C15 C18 49.1(3) . .
C12 Co1 C15 C18 151.0(3) . .
C11 Co1 C15 C18 -164.1(3) . .
C14 Co1 C15 C18 -75.5(4) . .
C10 Co1 C15 C18 -118.2(3) . .
C16 Co1 C15 C19 -129.1(6) . .
C17 Co1 C15 C19 -178.4(5) . .
C18 Co1 C15 C19 132.5(6) . .
C12 Co1 C15 C19 -76.5(6) . .
C11 Co1 C15 C19 -31.6(5) . .
C14 Co1 C15 C19 57.0(6) . .
C10 Co1 C15 C19 14.3(5) . .
C17 Co1 C15 C16 -49.3(3) . .
C18 Co1 C15 C16 -98.4(4) . .
C12 Co1 C15 C16 52.6(4) . .
C11 Co1 C15 C16 97.5(3) . .
C14 Co1 C15 C16 -174.0(3) . .
C10 Co1 C15 C16 143.4(3) . .
C18 C15 C16 C17 -0.7(4) . .
C19 C15 C16 C17 -168.1(6) . .
Co1 C15 C16 C17 66.8(3) . .
C18 C15 C16 C25 172.9(6) . .
C19 C15 C16 C25 5.5(10) . .
Co1 C15 C16 C25 -119.6(6) . .
C18 C15 C16 Co1 -67.5(3) . .
C19 C15 C16 Co1 125.1(6) . .
C15 Co1 C16 C17 -99.2(4) . .
C18 Co1 C16 C17 -49.9(3) . .
C12 Co1 C16 C17 112.9(3) . .
C11 Co1 C16 C17 156.2(3) . .
C13 Co1 C16 C17 75.4(4) . .
C14 Co1 C16 C17 62.1(11) . .
C10 Co1 C16 C17 -172.6(3) . .
C17 Co1 C16 C15 99.2(4) . .
C18 Co1 C16 C15 49.3(3) . .
C12 Co1 C16 C15 -147.9(3) . .
C11 Co1 C16 C15 -104.6(3) . .
C13 Co1 C16 C15 174.6(3) . .
C14 Co1 C16 C15 161.3(10) . .
C10 Co1 C16 C15 -73.4(4) . .
C17 Co1 C16 C25 -130.0(6) . .
C15 Co1 C16 C25 130.8(6) . .
C18 Co1 C16 C25 -179.9(5) . .
C12 Co1 C16 C25 -17.1(5) . .
C11 Co1 C16 C25 26.2(5) . .
C13 Co1 C16 C25 -54.6(5) . .
C14 Co1 C16 C25 -67.9(12) . .
C10 Co1 C16 C25 57.4(6) . .
C15 C16 C17 C18 0.7(4) . .
C25 C16 C17 C18 -173.0(6) . .
Co1 C16 C17 C18 68.0(3) . .
C15 C16 C17 C31 168.9(6) . .
C25 C16 C17 C31 -4.7(10) . .
Co1 C16 C17 C31 -123.8(6) . .
C15 C16 C17 Co1 -67.3(3) . .
C25 C16 C17 Co1 119.0(6) . .
C15 Co1 C17 C16 49.4(3) . .
C18 Co1 C17 C16 98.0(4) . .
C12 Co1 C17 C16 -85.5(3) . .
C11 Co1 C17 C16 -48.5(5) . .
C13 Co1 C17 C16 -128.7(3) . .
C14 Co1 C17 C16 -167.7(3) . .
C10 Co1 C17 C16 159.9(9) . .
C16 Co1 C17 C18 -98.0(4) . .
C15 Co1 C17 C18 -48.6(3) . .
C12 Co1 C17 C18 176.5(3) . .
C11 Co1 C17 C18 -146.5(4) . .
C13 Co1 C17 C18 133.3(3) . .
C14 Co1 C17 C18 94.3(3) . .
C10 Co1 C17 C18 61.9(10) . .
C16 Co1 C17 C31 130.8(6) . .
C15 Co1 C17 C31 -179.8(5) . .
C18 Co1 C17 C31 -131.2(6) . .
C12 Co1 C17 C31 45.3(5) . .
C11 Co1 C17 C31 82.3(6) . .
C13 Co1 C17 C31 2.1(5) . .
C14 Co1 C17 C31 -36.9(5) . .
C10 Co1 C17 C31 -69.3(11) . .
C19 C15 C18 C17 167.7(6) . .
C16 C15 C18 C17 0.7(4) . .
Co1 C15 C18 C17 -65.6(3) . .
C19 C15 C18 C37 -2.1(10) . .
C16 C15 C18 C37 -169.2(5) . .
Co1 C15 C18 C37 124.5(5) . .
C19 C15 C18 Co1 -126.7(6) . .
C16 C15 C18 Co1 66.3(3) . .
C16 C17 C18 C15 -0.7(4) . .
C31 C17 C18 C15 -169.0(6) . .
Co1 C17 C18 C15 66.3(3) . .
C16 C17 C18 C37 169.0(5) . .
C31 C17 C18 C37 0.6(10) . .
Co1 C17 C18 C37 -124.1(6) . .
C16 C17 C18 Co1 -67.0(3) . .
C31 C17 C18 Co1 124.7(6) . .
C16 Co1 C18 C15 -49.9(3) . .
C17 Co1 C18 C15 -99.9(4) . .
C12 Co1 C18 C15 -109.4(6) . .
C11 Co1 C18 C15 37.5(6) . .
C13 Co1 C18 C15 -171.0(3) . .
C14 Co1 C18 C15 141.4(3) . .
C10 Co1 C18 C15 93.6(3) . .
C16 Co1 C18 C17 50.0(3) . .
C15 Co1 C18 C17 99.9(4) . .
C12 Co1 C18 C17 -9.5(7) . .
C11 Co1 C18 C17 137.4(5) . .
C13 Co1 C18 C17 -71.1(4) . .
C14 Co1 C18 C17 -118.7(3) . .
C10 Co1 C18 C17 -166.4(3) . .
C16 Co1 C18 C37 -179.5(5) . .
C17 Co1 C18 C37 130.5(6) . .
C15 Co1 C18 C37 -129.6(6) . .
C12 Co1 C18 C37 121.0(7) . .
C11 Co1 C18 C37 -92.1(6) . .
C13 Co1 C18 C37 59.4(5) . .
C14 Co1 C18 C37 11.8(5) . .
C10 Co1 C18 C37 -35.9(5) . .
C18 C15 C19 C20 44.5(9) . .
C16 C15 C19 C20 -153.6(6) . .
Co1 C15 C19 C20 -56.6(7) . .
C18 C15 C19 C24 -132.8(6) . .
C16 C15 C19 C24 29.2(9) . .
Co1 C15 C19 C24 126.1(5) . .
C24 C19 C20 C21 -1.0(9) . .
C15 C19 C20 C21 -178.3(6) . .
C19 C20 C21 C22 0.2(11) . .
C20 C21 C22 C23 1.2(12) . .
C21 C22 C23 C24 -1.8(11) . .
C22 C23 C24 C19 1.1(11) . .
C20 C19 C24 C23 0.4(9) . .
C15 C19 C24 C23 177.8(6) . .
C17 C16 C25 C30 27.8(9) . .
C15 C16 C25 C30 -143.3(6) . .
Co1 C16 C25 C30 121.7(5) . .
C17 C16 C25 C26 -152.3(6) . .
C15 C16 C25 C26 36.7(9) . .
Co1 C16 C25 C26 -58.4(7) . .
C30 C25 C26 C27 1.0(9) . .
C16 C25 C26 C27 -179.0(6) . .
C25 C26 C27 C28 -0.3(11) . .
C26 C27 C28 C29 0.0(12) . .
C27 C28 C29 C30 -0.6(11) . .
C26 C25 C30 C29 -1.5(8) . .
C16 C25 C30 C29 178.5(5) . .
C28 C29 C30 C25 1.3(10) . .
C16 C17 C31 C36 -130.1(6) . .
C18 C17 C31 C36 33.3(8) . .
Co1 C17 C31 C36 132.4(5) . .
C16 C17 C31 C32 46.8(8) . .
C18 C17 C31 C32 -149.7(6) . .
Co1 C17 C31 C32 -50.7(7) . .
C36 C31 C32 C33 -0.8(9) . .
C17 C31 C32 C33 -177.8(6) . .
C31 C32 C33 C34 0.7(11) . .
C32 C33 C34 C35 -0.8(13) . .
C33 C34 C35 C36 0.9(12) . .
C34 C35 C36 C31 -1.1(11) . .
C32 C31 C36 C35 0.9(8) . .
C17 C31 C36 C35 178.0(6) . .
C15 C18 C37 C42 24.0(8) . .
C17 C18 C37 C42 -141.5(6) . .
Co1 C18 C37 C42 121.3(5) . .
C15 C18 C37 C38 -155.7(5) . .
C17 C18 C37 C38 38.7(8) . .
Co1 C18 C37 C38 -58.5(6) . .
C42 C37 C38 C39 -1.7(8) . .
C18 C37 C38 C39 178.1(5) . .
C37 C38 C39 C40 -0.7(9) . .
C38 C39 C40 C41 2.4(10) . .
C39 C40 C41 C42 -1.6(10) . .
C38 C37 C42 C41 2.4(8) . .
C18 C37 C42 C41 -177.4(5) . .
C40 C41 C42 C37 -0.8(9) . .
N1 C1 C43 C9 -2.7(9) . 2_677
C2 C1 C43 C9 179.8(5) . 2_677
N1 C1 C43 C44 177.2(5) . .
C2 C1 C43 C44 -0.3(7) . .
C1 C43 C44 C45 -87.5(6) . .
C9 C43 C44 C45 92.3(6) 2_677 .
C1 C43 C44 C49 89.0(6) . .
C9 C43 C44 C49 -91.1(6) 2_677 .
C49 C44 C45 C46 0.9(8) . .
C43 C44 C45 C46 177.5(5) . .
C49 C44 C45 C50 -179.1(5) . .
C43 C44 C45 C50 -2.5(8) . .
C44 C45 C46 C47 -1.9(9) . .
C50 C45 C46 C47 178.1(6) . .
C45 C46 C47 C48 2.1(10) . .
C45 C46 C47 C52 -178.4(7) . .
C46 C47 C48 C49 -1.4(9) . .
C52 C47 C48 C49 179.2(6) . .
C47 C48 C49 C44 0.4(8) . .
C47 C48 C49 C51 180.0(6) . .
C45 C44 C49 C48 -0.2(7) . .
C43 C44 C49 C48 -176.8(5) . .
C45 C44 C49 C51 -179.7(5) . .
C43 C44 C49 C51 3.7(7) . .
