#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/15/7221596.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_7221596
loop_
_publ_author_name
'Tian, Jianwen'
'He, Xiaohui'
'Liu, Jingyin'
'Deng, Xiaodan'
'Chen, Defu'
_publ_section_title
;
 Synthesis of well defined C--C bridged Ni(ii) complexes bearing
 β-ketoiminato-fluorene ligands by bifluorenyl in situ coupling and
 application for norbornene (co)polymerization
;
_journal_issue                   76
_journal_name_full               'RSC Adv.'
_journal_page_first              61851
_journal_paper_doi               10.1039/C5RA11630A
_journal_volume                  5
_journal_year                    2015
_chemical_formula_sum            'C37 H32 Cl2 N2 Ni O2'
_chemical_formula_weight         666.26
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-12-02 deposited with the CCDC.
2015-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 96.8170(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0438(8)
_cell_length_b                   19.4513(18)
_cell_length_c                   18.1240(17)
_cell_measurement_reflns_used    4423
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.96
_cell_measurement_theta_min      2.26
_cell_volume                     3165.7(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0493
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24012
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    0.818
_exptl_absorpt_correction_T_max  0.8871
_exptl_absorpt_correction_T_min  0.8405
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.866
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     386
_refine_ls_number_reflns         5882
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.1007
_refine_ls_R_factor_gt           0.0638
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1038P)²+6.8624P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1735
_refine_ls_wR_factor_ref         0.2031
_reflns_number_gt                3926
_reflns_number_total             5882
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra11630a1.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7221596
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
C1 C 0.9610(5) 0.6820(2) 0.8291(3) 0.0447(11) Uani 1 1 d .
C2 C 1.0980(5) 0.7079(3) 0.8579(3) 0.0560(13) Uani 1 1 d .
H2 H 1.1111 0.7547 0.8671 0.067 Uiso 1 1 calc R
C3 C 1.2154(6) 0.6622(4) 0.8726(4) 0.0755(18) Uani 1 1 d .
H3 H 1.3089 0.6790 0.8908 0.091 Uiso 1 1 calc R
C4 C 1.1976(7) 0.5927(4) 0.8611(4) 0.0795(19) Uani 1 1 d .
H4 H 1.2780 0.5632 0.8725 0.095 Uiso 1 1 calc R
C5 C 1.0611(7) 0.5669(3) 0.8329(4) 0.0706(17) Uani 1 1 d .
H5 H 1.0486 0.5199 0.8248 0.085 Uiso 1 1 calc R
C6 C 0.9423(6) 0.6117(3) 0.8165(3) 0.0508(12) Uani 1 1 d .
C7 C 0.7910(6) 0.5989(3) 0.7813(3) 0.0513(12) Uani 1 1 d .
C8 C 0.7224(8) 0.5383(3) 0.7567(4) 0.0733(17) Uani 1 1 d .
H8 H 0.7731 0.4966 0.7620 0.088 Uiso 1 1 calc R
C9 C 0.5762(9) 0.5410(4) 0.7237(4) 0.092(2) Uani 1 1 d .
H9 H 0.5282 0.5007 0.7069 0.110 Uiso 1 1 calc R
C10 C 0.5014(7) 0.6023(4) 0.7156(4) 0.0791(19) Uani 1 1 d .
H10 H 0.4032 0.6030 0.6935 0.095 Uiso 1 1 calc R
C11 C 0.5694(6) 0.6630(3) 0.7396(3) 0.0578(14) Uani 1 1 d .
H11 H 0.5184 0.7045 0.7333 0.069 Uiso 1 1 calc R
C12 C 0.7147(5) 0.6610(2) 0.7732(3) 0.0436(11) Uani 1 1 d .
C13 C 0.8912(6) 0.7783(3) 0.6955(3) 0.0529(13) Uani 1 1 d .
C14 C 1.0037(9) 0.7235(4) 0.6829(4) 0.095(2) Uani 1 1 d .
H14A H 1.0844 0.7248 0.7224 0.143 Uiso 1 1 calc R
H14B H 1.0415 0.7315 0.6363 0.143 Uiso 1 1 calc R
H14C H 0.9569 0.6791 0.6819 0.143 Uiso 1 1 calc R
C15 C 0.8737(7) 0.8298(3) 0.6404(3) 0.0612(15) Uani 1 1 d .
H15 H 0.9449 0.8318 0.6074 0.073 Uiso 1 1 calc R
C16 C 0.7621(6) 0.8767(3) 0.6313(3) 0.0577(14) Uani 1 1 d .
C17 C 0.7511(9) 0.9281(4) 0.5682(4) 0.098(2) Uani 1 1 d .
H17A H 0.6513 0.9283 0.5433 0.147 Uiso 1 1 calc R
H17B H 0.8191 0.9154 0.5336 0.147 Uiso 1 1 calc R
H17C H 0.7760 0.9731 0.5876 0.147 Uiso 1 1 calc R
C18 C 0.8692(5) 0.7973(3) 0.9222(3) 0.0457(11) Uani 1 1 d .
C19 C 0.9198(6) 0.8621(3) 0.9044(3) 0.0589(14) Uani 1 1 d .
H19 H 0.8821 0.8840 0.8605 0.071 Uiso 1 1 calc R
C20 C 1.0286(7) 0.8931(4) 0.9543(4) 0.086(2) Uani 1 1 d .
H20 H 1.0637 0.9366 0.9441 0.103 Uiso 1 1 calc R
C21 C 1.0849(8) 0.8596(5) 1.0191(5) 0.099(3) Uani 1 1 d .
H21 H 1.1600 0.8804 1.0509 0.119 Uiso 1 1 calc R
C22 C 1.0334(7) 0.7973(5) 1.0372(4) 0.089(2) Uani 1 1 d .
H22 H 1.0709 0.7759 1.0814 0.107 Uiso 1 1 calc R
C23 C 0.9235(6) 0.7658(3) 0.9886(3) 0.0594(14) Uani 1 1 d .
C24 C 0.8425(6) 0.7016(3) 0.9960(3) 0.0556(14) Uani 1 1 d .
C25 C 0.8468(9) 0.6533(5) 1.0543(4) 0.087(2) Uani 1 1 d .
H25 H 0.9163 0.6579 1.0961 0.105 Uiso 1 1 calc R
C26 C 0.7484(10) 0.6000(4) 1.0489(4) 0.095(3) Uani 1 1 d .
H26 H 0.7513 0.5680 1.0872 0.114 Uiso 1 1 calc R
C27 C 0.6454(8) 0.5932(3) 0.9877(4) 0.077(2) Uani 1 1 d .
H27 H 0.5778 0.5570 0.9855 0.093 Uiso 1 1 calc R
C28 C 0.6397(6) 0.6387(3) 0.9293(3) 0.0545(13) Uani 1 1 d .
H28 H 0.5708 0.6326 0.8875 0.065 Uiso 1 1 calc R
C29 C 0.7377(5) 0.6934(3) 0.9336(3) 0.0446(11) Uani 1 1 d .
C30 C 0.8141(5) 0.7200(2) 0.8068(2) 0.0395(10) Uani 1 1 d .
C31 C 0.7539(5) 0.7516(2) 0.8778(2) 0.0370(10) Uani 1 1 d .
C32 C 0.5280(6) 0.7943(3) 0.9740(3) 0.0571(14) Uani 1 1 d .
H32A H 0.5021 0.7471 0.9810 0.086 Uiso 1 1 calc R
H32B H 0.4607 0.8236 0.9966 0.086 Uiso 1 1 calc R
H32C H 0.6280 0.8024 0.9965 0.086 Uiso 1 1 calc R
C33 C 0.5173(5) 0.8097(2) 0.8922(3) 0.0435(11) Uani 1 1 d .
C34 C 0.3885(5) 0.8459(3) 0.8639(3) 0.0510(12) Uani 1 1 d .
H34 H 0.3146 0.8511 0.8951 0.061 Uiso 1 1 calc R
C35 C 0.3623(5) 0.8743(3) 0.7946(3) 0.0535(13) Uani 1 1 d .
C36 C 0.2175(6) 0.9099(4) 0.7690(4) 0.081(2) Uani 1 1 d .
H36A H 0.2374 0.9544 0.7498 0.121 Uiso 1 1 calc R
H36B H 0.1607 0.9148 0.8102 0.121 Uiso 1 1 calc R
H36C H 0.1620 0.8830 0.7308 0.121 Uiso 1 1 calc R
N1 N 0.8099(4) 0.77760(19) 0.75211(19) 0.0397(9) Uani 1 1 d .
N2 N 0.6197(4) 0.79093(19) 0.84906(19) 0.0375(8) Uani 1 1 d .
Ni1 Ni 0.63804(6) 0.83070(3) 0.75643(3) 0.0399(2) Uani 1 1 d .
O1 O 0.6566(4) 0.8809(2) 0.67213(19) 0.0604(10) Uani 1 1 d .
O2 O 0.4566(4) 0.8751(2) 0.74715(19) 0.0594(10) Uani 1 1 d .
Cl2 Cl 0.6089(11) 0.9852(6) -0.0200(7) 0.428(5) Uiso 1 1 d .
Cl1 Cl 0.5163(18) 0.9700(7) 0.1046(8) 0.518(7) Uiso 1 1 d .
C37 C 0.670(2) 0.9552(11) 0.0647(13) 0.270(9) Uiso 1 1 d .
H37A H 0.6949 0.9067 0.0640 0.324 Uiso 1 1 calc R
H37B H 0.7549 0.9811 0.0881 0.324 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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
_geom_angle_site_symmetry_3
C6 C1 C2 120.4(5) . .
C6 C1 C30 110.2(4) . .
C2 C1 C30 129.4(5) . .
C3 C2 C1 118.0(5) . .
C3 C2 H2 121.0 . .
C1 C2 H2 121.0 . .
C4 C3 C2 121.9(6) . .
C4 C3 H3 119.0 . .
C2 C3 H3 119.0 . .
C5 C4 C3 120.0(6) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 119.2(6) . .
C4 C5 H5 120.4 . .
C6 C5 H5 120.4 . .
C5 C6 C1 120.4(5) . .
C5 C6 C7 130.4(5) . .
C1 C6 C7 109.1(4) . .
C8 C7 C12 120.6(5) . .
C8 C7 C6 130.4(5) . .
C12 C7 C6 109.0(4) . .
C9 C8 C7 118.4(6) . .
C9 C8 H8 120.8 . .
C7 C8 H8 120.8 . .
C10 C9 C8 120.9(6) . .
C10 C9 H9 119.6 . .
C8 C9 H9 119.6 . .
C9 C10 C11 121.1(6) . .
C9 C10 H10 119.5 . .
C11 C10 H10 119.5 . .
C10 C11 C12 118.7(6) . .
C10 C11 H11 120.7 . .
C12 C11 H11 120.7 . .
C11 C12 C7 120.4(5) . .
C11 C12 C30 129.3(5) . .
C7 C12 C30 110.3(4) . .
N1 C13 C15 121.9(5) . .
N1 C13 C14 123.5(5) . .
C15 C13 C14 114.6(5) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 C13 125.7(5) . .
C16 C15 H15 117.2 . .
C13 C15 H15 117.2 . .
O1 C16 C15 124.7(5) . .
O1 C16 C17 114.2(5) . .
C15 C16 C17 121.1(5) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 C23 120.6(5) . .
C19 C18 C31 129.0(4) . .
C23 C18 C31 110.4(5) . .
C18 C19 C20 117.9(6) . .
C18 C19 H19 121.1 . .
C20 C19 H19 121.1 . .
C21 C20 C19 120.5(7) . .
C21 C20 H20 119.8 . .
C19 C20 H20 119.8 . .
C22 C21 C20 121.6(6) . .
C22 C21 H21 119.2 . .
C20 C21 H21 119.2 . .
C21 C22 C23 118.8(7) . .
C21 C22 H22 120.6 . .
C23 C22 H22 120.6 . .
C22 C23 C18 120.6(7) . .
C22 C23 C24 130.3(6) . .
C18 C23 C24 109.1(4) . .
C29 C24 C25 119.1(6) . .
C29 C24 C23 108.8(4) . .
C25 C24 C23 131.9(6) . .
C26 C25 C24 119.7(7) . .
C26 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
C27 C26 C25 120.4(6) . .
C27 C26 H26 119.8 . .
C25 C26 H26 119.8 . .
C26 C27 C28 121.5(7) . .
C26 C27 H27 119.3 . .
C28 C27 H27 119.3 . .
C27 C28 C29 119.1(6) . .
C27 C28 H28 120.4 . .
C29 C28 H28 120.4 . .
C28 C29 C24 120.2(5) . .
C28 C29 C31 129.8(4) . .
C24 C29 C31 110.0(4) . .
N1 C30 C1 119.4(4) . .
N1 C30 C12 109.2(3) . .
C1 C30 C12 101.1(4) . .
N1 C30 C31 105.3(3) . .
C1 C30 C31 110.1(3) . .
C12 C30 C31 111.8(4) . .
N2 C31 C18 111.4(4) . .
N2 C31 C29 118.4(3) . .
C18 C31 C29 101.2(4) . .
N2 C31 C30 105.3(3) . .
C18 C31 C30 112.1(3) . .
C29 C31 C30 108.6(4) . .
C33 C32 H32A 109.5 . .
C33 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C33 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N2 C33 C34 121.8(4) . .
N2 C33 C32 123.8(4) . .
C34 C33 C32 114.4(4) . .
C35 C34 C33 125.7(5) . .
C35 C34 H34 117.1 . .
C33 C34 H34 117.1 . .
O2 C35 C34 124.4(5) . .
O2 C35 C36 114.3(5) . .
C34 C35 C36 121.2(5) . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C13 N1 C30 123.2(4) . .
C13 N1 Ni1 124.2(3) . .
C30 N1 Ni1 110.0(3) . .
C33 N2 C31 122.3(4) . .
C33 N2 Ni1 123.7(3) . .
C31 N2 Ni1 111.9(3) . .
O1 Ni1 O2 81.01(16) . .
O1 Ni1 N1 95.72(16) . .
O2 Ni1 N1 170.72(16) . .
O1 Ni1 N2 172.29(17) . .
O2 Ni1 N2 95.89(15) . .
N1 Ni1 N2 88.39(15) . .
C16 O1 Ni1 126.6(4) . .
C35 O2 Ni1 126.1(3) . .
C37 Cl2 Cl1 162.3(10) . 3_675
C37 Cl2 Cl2 90.1(10) . 3_675
Cl1 Cl2 Cl2 72.4(7) 3_675 3_675
C37 Cl1 Cl2 99.7(11) . 3_675
Cl1 C37 Cl2 97.8(13) . .
Cl1 C37 H37A 112.2 . .
Cl2 C37 H37A 112.2 . .
Cl1 C37 H37B 112.2 . .
Cl2 C37 H37B 112.2 . .
H37A C37 H37B 109.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.395(7) .
C1 C2 1.381(7) .
C1 C30 1.532(6) .
C2 C3 1.388(8) .
C2 H2 0.9300 .
C3 C4 1.373(9) .
C3 H3 0.9300 .
C4 C5 1.374(9) .
C4 H4 0.9300 .
C5 C6 1.388(7) .
C5 H5 0.9300 .
C6 C7 1.460(7) .
C7 C8 1.382(8) .
C7 C12 1.390(7) .
C8 C9 1.386(10) .
C8 H8 0.9300 .
C9 C10 1.371(10) .
C9 H9 0.9300 .
C10 C11 1.378(8) .
C10 H10 0.9300 .
C11 C12 1.382(7) .
C11 H11 0.9300 .
C12 C30 1.538(6) .
C13 N1 1.331(6) .
C13 C15 1.410(7) .
C13 C14 1.511(8) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.355(8) .
C15 H15 0.9300 .
C16 O1 1.277(6) .
C16 C17 1.513(8) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.392(8) .
C18 C23 1.388(7) .
C18 C31 1.526(6) .
C19 C20 1.393(8) .
C19 H19 0.9300 .
C20 C21 1.387(11) .
C20 H20 0.9300 .
C21 C22 1.353(12) .
C21 H21 0.9300 .
C22 C23 1.390(8) .
C22 H22 0.9300 .
C23 C24 1.462(8) .
C24 C29 1.396(7) .
C24 C25 1.409(9) .
C25 C26 1.363(11) .
C25 H25 0.9300 .
C26 C27 1.368(11) .
C26 H26 0.9300 .
C27 C28 1.375(8) .
C27 H27 0.9300 .
C28 C29 1.382(7) .
C28 H28 0.9300 .
C29 C31 1.536(6) .
C30 N1 1.494(6) .
C30 C31 1.580(6) .
C31 N2 1.477(5) .
C32 C33 1.503(6) .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 N2 1.332(6) .
C33 C34 1.406(7) .
C34 C35 1.367(7) .
C34 H34 0.9300 .
C35 O2 1.281(6) .
C35 C36 1.505(7) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
N1 Ni1 1.876(4) .
N2 Ni1 1.874(3) .
Ni1 O1 1.837(3) .
Ni1 O2 1.844(3) .
Cl2 C37 1.673(18) .
Cl2 Cl1 1.996(15) 3_675
Cl2 Cl2 2.253(18) 3_675
Cl1 C37 1.67(2) .
Cl1 Cl2 1.996(15) 3_675
C37 H37A 0.9700 .
C37 H37B 0.9700 .
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
C6 C1 C2 C3 0.9(8) .
C30 C1 C2 C3 -179.1(5) .
C1 C2 C3 C4 -1.6(9) .
C2 C3 C4 C5 1.3(11) .
C3 C4 C5 C6 -0.3(10) .
C4 C5 C6 C1 -0.5(8) .
C4 C5 C6 C7 174.8(6) .
C2 C1 C6 C5 0.2(8) .
C30 C1 C6 C5 -179.9(5) .
C2 C1 C6 C7 -176.0(4) .
C30 C1 C6 C7 3.9(5) .
C5 C6 C7 C8 2.4(10) .
C1 C6 C7 C8 178.0(6) .
C5 C6 C7 C12 -176.6(5) .
C1 C6 C7 C12 -1.0(6) .
C12 C7 C8 C9 0.0(9) .
C6 C7 C8 C9 -178.9(6) .
C7 C8 C9 C10 0.2(10) .
C8 C9 C10 C11 0.2(11) .
C9 C10 C11 C12 -0.8(10) .
C10 C11 C12 C7 1.0(8) .
C10 C11 C12 C30 -177.9(5) .
C8 C7 C12 C11 -0.6(8) .
C6 C7 C12 C11 178.5(5) .
C8 C7 C12 C30 178.5(5) .
C6 C7 C12 C30 -2.3(5) .
N1 C13 C15 C16 -10.7(9) .
C14 C13 C15 C16 166.9(6) .
C13 C15 C16 O1 0.3(10) .
C13 C15 C16 C17 -177.6(6) .
C23 C18 C19 C20 1.6(7) .
C31 C18 C19 C20 -179.0(5) .
C18 C19 C20 C21 0.7(9) .
C19 C20 C21 C22 -2.2(11) .
C20 C21 C22 C23 1.4(11) .
C21 C22 C23 C18 1.0(9) .
C21 C22 C23 C24 -175.9(6) .
C19 C18 C23 C22 -2.5(8) .
C31 C18 C23 C22 178.1(5) .
C19 C18 C23 C24 175.0(4) .
C31 C18 C23 C24 -4.5(5) .
C22 C23 C24 C29 177.2(6) .
C18 C23 C24 C29 0.1(6) .
C22 C23 C24 C25 2.2(10) .
C18 C23 C24 C25 -175.0(6) .
C29 C24 C25 C26 -0.4(9) .
C23 C24 C25 C26 174.3(6) .
C24 C25 C26 C27 -0.3(10) .
C25 C26 C27 C28 1.3(10) .
C26 C27 C28 C29 -1.7(8) .
C27 C28 C29 C24 1.0(7) .
C27 C28 C29 C31 -179.1(5) .
C25 C24 C29 C28 0.0(7) .
C23 C24 C29 C28 -175.8(4) .
C25 C24 C29 C31 -179.9(5) .
C23 C24 C29 C31 4.3(5) .
C6 C1 C30 N1 -124.7(4) .
C2 C1 C30 N1 55.3(7) .
C6 C1 C30 C12 -5.0(5) .
C2 C1 C30 C12 175.0(5) .
C6 C1 C30 C31 113.4(4) .
C2 C1 C30 C31 -66.7(6) .
C11 C12 C30 N1 -49.9(6) .
C7 C12 C30 N1 131.0(4) .
C11 C12 C30 C1 -176.6(5) .
C7 C12 C30 C1 4.4(5) .
C11 C12 C30 C31 66.2(6) .
C7 C12 C30 C31 -112.8(4) .
C19 C18 C31 N2 -46.1(6) .
C23 C18 C31 N2 133.3(4) .
C19 C18 C31 C29 -172.9(5) .
C23 C18 C31 C29 6.6(5) .
C19 C18 C31 C30 71.6(6) .
C23 C18 C31 C30 -109.0(4) .
C28 C29 C31 N2 51.6(7) .
C24 C29 C31 N2 -128.5(4) .
C28 C29 C31 C18 173.6(5) .
C24 C29 C31 C18 -6.5(5) .
C28 C29 C31 C30 -68.3(6) .
C24 C29 C31 C30 111.6(4) .
N1 C30 C31 N2 45.9(4) .
C1 C30 C31 N2 175.8(3) .
C12 C30 C31 N2 -72.6(4) .
N1 C30 C31 C18 -75.4(4) .
C1 C30 C31 C18 54.6(5) .
C12 C30 C31 C18 166.1(4) .
N1 C30 C31 C29 173.6(3) .
C1 C30 C31 C29 -56.4(5) .
C12 C30 C31 C29 55.1(5) .
N2 C33 C34 C35 -9.8(8) .
C32 C33 C34 C35 170.4(5) .
C33 C34 C35 O2 -4.4(9) .
C33 C34 C35 C36 177.7(5) .
C15 C13 N1 C30 173.3(5) .
C14 C13 N1 C30 -4.0(8) .
C15 C13 N1 Ni1 13.8(7) .
C14 C13 N1 Ni1 -163.6(5) .
C1 C30 N1 C13 34.7(6) .
C12 C30 N1 C13 -80.7(5) .
C31 C30 N1 C13 159.1(4) .
C1 C30 N1 Ni1 -163.2(3) .
C12 C30 N1 Ni1 81.4(4) .
C31 C30 N1 Ni1 -38.8(4) .
C34 C33 N2 C31 -178.7(4) .
C32 C33 N2 C31 1.2(7) .
C34 C33 N2 Ni1 19.0(6) .
C32 C33 N2 Ni1 -161.2(4) .
C18 C31 N2 C33 -76.4(5) .
C29 C31 N2 C33 40.3(6) .
C30 C31 N2 C33 161.9(4) .
C18 C31 N2 Ni1 87.8(4) .
C29 C31 N2 Ni1 -155.4(3) .
C30 C31 N2 Ni1 -33.9(4) .
C13 N1 Ni1 O1 -7.3(4) .
C30 N1 Ni1 O1 -169.2(3) .
C13 N1 Ni1 O2 61.5(11) .
C30 N1 Ni1 O2 -100.4(10) .
C13 N1 Ni1 N2 179.2(4) .
C30 N1 Ni1 N2 17.3(3) .
C33 N2 Ni1 O1 52.3(13) .
C31 N2 Ni1 O1 -111.6(11) .
C33 N2 Ni1 O2 -13.5(4) .
C31 N2 Ni1 O2 -177.5(3) .
C33 N2 Ni1 N1 174.7(4) .
C31 N2 Ni1 N1 10.8(3) .
C15 C16 O1 Ni1 5.6(8) .
C17 C16 O1 Ni1 -176.4(4) .
O2 Ni1 O1 C16 -173.5(5) .
N1 Ni1 O1 C16 -2.2(5) .
N2 Ni1 O1 C16 119.8(11) .
C34 C35 O2 Ni1 7.4(8) .
C36 C35 O2 Ni1 -174.6(4) .
O1 Ni1 O2 C35 -172.2(5) .
N1 Ni1 O2 C35 117.8(9) .
N2 Ni1 O2 C35 0.7(5) .
Cl2 Cl1 C37 Cl2 -2.5(15) 3_675
Cl1 Cl2 C37 Cl1 8(5) 3_675
Cl2 Cl2 C37 Cl1 2.2(13) 3_675
