#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:01:39 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178734 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/45/4084546.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_4084546
loop_
_publ_author_name
'Hameury, Sophie'
'de Frémont, Pierre'
'Breuil, Pierre-Alain R.'
'Olivier-Bourbigou, Hélène'
'Braunstein, Pierre'
_publ_section_title
;
 Bis(ether-functionalized NHC) Nickel(II)
 Complexes,TranstoCisIsomerization Triggered by Water Coordination, and
 Catalytic Ethylene Oligomerization
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2183
_journal_paper_doi               10.1021/om5008506
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C30 H40 Cl2 N4 Ni O2'
_chemical_formula_sum            'C30 H40 Cl2 N4 Ni O2'
_chemical_formula_weight         618.27
_chemical_name_common            '[NiCl2{ImMes(EtOMe)}2]'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                92.137(3)
_cell_angle_beta                 108.231(3)
_cell_angle_gamma                117.727(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8374(5)
_cell_length_b                   11.2012(5)
_cell_length_c                   15.5473(9)
_cell_measurement_reflns_used    9806
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     1548.77(14)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'Sir 97'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_av_unetI/netI     0.0819
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14088
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.41
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_T_max  0.9436
_exptl_absorpt_correction_T_min  0.7999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             652
_exptl_crystal_recrystallization_method 'THF - Pentane'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.515
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6060
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0511P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1037
_refine_ls_wR_factor_ref         0.1169
_reflns_number_gt                4152
_reflns_number_total             6060
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5008506_si_002.cif
_cod_data_source_block           compound_6
_cod_depositor_comments
'Adding full bibliography for 4084545--4084559.cif.'
_cod_original_cell_volume        1548.76(13)
_cod_database_code               4084546
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
Ni1 Ni 0.0000 0.5000 0.5000 0.02498(16) Uani 1 2 d S
Ni2 Ni 0.0000 0.0000 0.0000 0.02298(15) Uani 1 2 d S
C1 C 0.0034(3) 0.6426(3) 0.4348(2) 0.0248(7) Uani 1 1 d .
C2 C -0.0212(3) 0.8197(3) 0.3823(2) 0.0378(8) Uani 1 1 d .
H2 H -0.0460 0.8888 0.3752 0.045 Uiso 1 1 calc R
C3 C 0.0472(3) 0.7868(3) 0.3365(2) 0.0385(8) Uani 1 1 d .
H3 H 0.0794 0.8285 0.2911 0.046 Uiso 1 1 calc R
C4 C 0.1318(3) 0.6128(3) 0.3362(2) 0.0408(8) Uani 1 1 d .
H4A H 0.0989 0.5995 0.2692 0.049 Uiso 1 1 calc R
H4B H 0.0982 0.5223 0.3512 0.049 Uiso 1 1 calc R
C5 C 0.3001(4) 0.6944(4) 0.3773(3) 0.0496(10) Uani 1 1 d .
H5A H 0.3349 0.7095 0.4444 0.060 Uiso 1 1 calc R
H5B H 0.3410 0.6439 0.3557 0.060 Uiso 1 1 calc R
C6 C 0.5079(4) 0.9067(5) 0.3895(3) 0.0852(16) Uani 1 1 d .
H6A H 0.5418 0.9175 0.4557 0.128 Uiso 1 1 calc R
H6B H 0.5369 0.9958 0.3743 0.128 Uiso 1 1 calc R
H6C H 0.5524 0.8640 0.3651 0.128 Uiso 1 1 calc R
C7 C -0.1208(3) 0.7389(3) 0.5051(2) 0.0287(7) Uani 1 1 d .
C8 C -0.0319(3) 0.8221(3) 0.5940(2) 0.0334(8) Uani 1 1 d .
C9 C -0.1044(3) 0.8395(3) 0.6490(2) 0.0358(8) Uani 1 1 d .
H9 H -0.0465 0.8941 0.7087 0.043 Uiso 1 1 calc R
C10 C -0.2589(3) 0.7791(3) 0.6185(2) 0.0362(8) Uani 1 1 d .
C11 C -0.3430(3) 0.6956(3) 0.5301(2) 0.0384(8) Uani 1 1 d .
H11 H -0.4472 0.6518 0.5092 0.046 Uiso 1 1 calc R
C12 C -0.2775(3) 0.6752(3) 0.4717(2) 0.0341(8) Uani 1 1 d .
C13 C 0.1382(3) 0.8983(4) 0.6271(3) 0.0559(11) Uani 1 1 d .
H13A H 0.1711 0.8337 0.6199 0.084 Uiso 1 1 calc R
H13B H 0.1806 0.9433 0.6913 0.084 Uiso 1 1 calc R
H13C H 0.1705 0.9661 0.5910 0.084 Uiso 1 1 calc R
C14 C -0.3723(4) 0.5919(4) 0.3732(2) 0.0497(9) Uani 1 1 d .
H14A H -0.4767 0.5484 0.3643 0.075 Uiso 1 1 calc R
H14B H -0.3475 0.5225 0.3619 0.075 Uiso 1 1 calc R
H14C H -0.3529 0.6520 0.3307 0.075 Uiso 1 1 calc R
C15 C -0.3322(4) 0.8121(4) 0.6762(3) 0.0507(9) Uani 1 1 d .
H15A H -0.2573 0.8696 0.7353 0.076 Uiso 1 1 calc R
H15B H -0.4053 0.7278 0.6852 0.076 Uiso 1 1 calc R
H15C H -0.3809 0.8597 0.6448 0.076 Uiso 1 1 calc R
C16 C -0.0883(3) 0.0819(3) 0.05103(19) 0.0225(6) Uani 1 1 d .
C17 C -0.1135(3) 0.2375(3) 0.1314(2) 0.0360(8) Uani 1 1 d .
H17 H -0.0893 0.3180 0.1688 0.043 Uiso 1 1 calc R
C18 C -0.2503(3) 0.1260(3) 0.0898(2) 0.0345(8) Uani 1 1 d .
H18 H -0.3395 0.1141 0.0929 0.041 Uiso 1 1 calc R
C19 C 0.1472(3) 0.3030(3) 0.1407(2) 0.0341(8) Uani 1 1 d .
H19A H 0.1931 0.2531 0.1250 0.041 Uiso 1 1 calc R
H19B H 0.1868 0.3315 0.2077 0.041 Uiso 1 1 calc R
C20 C 0.1911(3) 0.4292(3) 0.1002(2) 0.0386(8) Uani 1 1 d .
H20A H 0.2995 0.4819 0.1191 0.046 Uiso 1 1 calc R
H20B H 0.1472 0.4021 0.0330 0.046 Uiso 1 1 calc R
C21 C 0.1855(4) 0.6367(4) 0.0991(3) 0.0649(12) Uani 1 1 d .
H21A H 0.2931 0.6929 0.1254 0.097 Uiso 1 1 calc R
H21B H 0.1418 0.6855 0.1177 0.097 Uiso 1 1 calc R
H21C H 0.1522 0.6162 0.0327 0.097 Uiso 1 1 calc R
C22 C -0.3569(3) -0.1050(3) -0.0097(2) 0.0262(7) Uani 1 1 d .
C23 C -0.4045(3) -0.2077(3) 0.0398(2) 0.0292(7) Uani 1 1 d .
C24 C -0.5231(3) -0.3383(3) -0.0103(2) 0.0346(8) Uani 1 1 d .
H24 H -0.5554 -0.4089 0.0211 0.042 Uiso 1 1 calc R
C28 C -0.3354(3) -0.1789(3) 0.1439(2) 0.0400(8) Uani 1 1 d .
H28A H -0.2298 -0.1464 0.1630 0.060 Uiso 1 1 calc R
H28B H -0.3825 -0.2622 0.1649 0.060 Uiso 1 1 calc R
H28C H -0.3498 -0.1097 0.1703 0.060 Uiso 1 1 calc R
N1 N 0.0617(2) 0.6784(2) 0.36884(17) 0.0296(6) Uani 1 1 d .
N2 N -0.0487(3) 0.7308(2) 0.44312(17) 0.0295(6) Uani 1 1 d .
N3 N -0.0159(2) 0.2093(2) 0.10790(16) 0.0255(6) Uani 1 1 d .
N4 N -0.2339(2) 0.0322(2) 0.04132(16) 0.0259(6) Uani 1 1 d .
O1 O 0.3493(2) 0.8226(3) 0.35019(18) 0.0609(8) Uani 1 1 d .
O2 O 0.1404(2) 0.5112(2) 0.13121(16) 0.0456(6) Uani 1 1 d .
Cl1 Cl 0.23070(9) 0.63932(8) 0.59337(6) 0.0505(3) Uani 1 1 d .
Cl2 Cl 0.01474(8) 0.13049(8) -0.10176(6) 0.0357(2) Uani 1 1 d .
C27 C -0.4268(3) -0.1276(3) -0.1052(2) 0.0269(7) Uani 1 1 d .
C26 C -0.5456(3) -0.2597(3) -0.1527(2) 0.0347(8) Uani 1 1 d .
H26 H -0.5931 -0.2772 -0.2167 0.042 Uiso 1 1 calc R
C29 C -0.3878(3) -0.0114(3) -0.1563(2) 0.0379(8) Uani 1 1 d .
H29A H -0.4002 0.0590 -0.1297 0.057 Uiso 1 1 calc R
H29B H -0.4530 -0.0464 -0.2205 0.057 Uiso 1 1 calc R
H29C H -0.2854 0.0269 -0.1512 0.057 Uiso 1 1 calc R
C25 C -0.5944(3) -0.3661(3) -0.1061(2) 0.0362(8) Uani 1 1 d .
C30 C -0.7280(4) -0.5076(3) -0.1589(3) 0.0555(10) Uani 1 1 d .
H30A H -0.7449 -0.5168 -0.2239 0.083 Uiso 1 1 calc R
H30B H -0.8157 -0.5176 -0.1499 0.083 Uiso 1 1 calc R
H30C H -0.7078 -0.5778 -0.1365 0.083 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
Ni Ni 0.3393 1.1124 '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'
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'
H H 0.0000 0.0000 '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
C1 Ni1 C1 180.00(10) . 2_566
C1 Ni1 Cl1 90.31(8) . .
C1 Ni1 Cl1 89.69(8) 2_566 .
C1 Ni1 Cl1 89.69(8) . 2_566
C1 Ni1 Cl1 90.31(8) 2_566 2_566
Cl1 Ni1 Cl1 180.0 . 2_566
C16 Ni2 C16 180.00(14) . 2
C16 Ni2 Cl2 89.83(8) . .
C16 Ni2 Cl2 90.17(8) 2 .
C16 Ni2 Cl2 90.17(8) . 2
C16 Ni2 Cl2 89.83(8) 2 2
Cl2 Ni2 Cl2 180.0 . 2
N1 C1 N2 104.2(2) . .
N1 C1 Ni1 126.0(2) . .
N2 C1 Ni1 129.9(2) . .
C3 C2 N2 106.8(3) . .
C3 C2 H2 126.6 . .
N2 C2 H2 126.6 . .
C2 C3 N1 107.3(3) . .
C2 C3 H3 126.4 . .
N1 C3 H3 126.4 . .
N1 C4 C5 113.3(3) . .
N1 C4 H4A 108.9 . .
C5 C4 H4A 108.9 . .
N1 C4 H4B 108.9 . .
C5 C4 H4B 108.9 . .
H4A C4 H4B 107.7 . .
O1 C5 C4 108.9(3) . .
O1 C5 H5A 109.9 . .
C4 C5 H5A 109.9 . .
O1 C5 H5B 109.9 . .
C4 C5 H5B 109.9 . .
H5A C5 H5B 108.3 . .
O1 C6 H6A 109.5 . .
O1 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
O1 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C8 C7 C12 121.5(3) . .
C8 C7 N2 118.9(3) . .
C12 C7 N2 119.3(3) . .
C9 C8 C7 117.7(3) . .
C9 C8 C13 121.2(3) . .
C7 C8 C13 121.0(3) . .
C10 C9 C8 122.7(3) . .
C10 C9 H9 118.7 . .
C8 C9 H9 118.7 . .
C9 C10 C11 117.7(3) . .
C9 C10 C15 121.1(3) . .
C11 C10 C15 121.1(3) . .
C12 C11 C10 122.4(3) . .
C12 C11 H11 118.8 . .
C10 C11 H11 118.8 . .
C11 C12 C7 118.1(3) . .
C11 C12 C14 120.9(3) . .
C7 C12 C14 120.9(3) . .
C8 C13 H13A 109.5 . .
C8 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C8 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C10 C15 H15A 109.5 . .
C10 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C10 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N4 C16 N3 102.9(2) . .
N4 C16 Ni2 130.3(2) . .
N3 C16 Ni2 126.86(19) . .
C18 C17 N3 106.3(3) . .
C18 C17 H17 126.8 . .
N3 C17 H17 126.8 . .
C17 C18 N4 107.1(3) . .
C17 C18 H18 126.5 . .
N4 C18 H18 126.5 . .
N3 C19 C20 113.5(2) . .
N3 C19 H19A 108.9 . .
C20 C19 H19A 108.9 . .
N3 C19 H19B 108.9 . .
C20 C19 H19B 108.9 . .
H19A C19 H19B 107.7 . .
O2 C20 C19 109.7(2) . .
O2 C20 H20A 109.7 . .
C19 C20 H20A 109.7 . .
O2 C20 H20B 109.7 . .
C19 C20 H20B 109.7 . .
H20A C20 H20B 108.2 . .
O2 C21 H21A 109.5 . .
O2 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
O2 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C27 C22 C23 122.5(2) . .
C27 C22 N4 119.0(2) . .
C23 C22 N4 118.5(3) . .
C24 C23 C22 117.6(3) . .
C24 C23 C28 120.5(2) . .
C22 C23 C28 121.9(3) . .
C25 C24 C23 121.8(3) . .
C25 C24 H24 119.1 . .
C23 C24 H24 119.1 . .
C23 C28 H28A 109.5 . .
C23 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C23 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C1 N1 C3 111.3(3) . .
C1 N1 C4 124.4(2) . .
C3 N1 C4 124.3(3) . .
C1 N2 C2 110.5(3) . .
C1 N2 C7 127.8(2) . .
C2 N2 C7 121.7(3) . .
C16 N3 C17 112.0(2) . .
C16 N3 C19 123.3(2) . .
C17 N3 C19 124.6(3) . .
C16 N4 C18 111.7(2) . .
C16 N4 C22 124.7(2) . .
C18 N4 C22 123.5(2) . .
C5 O1 C6 111.6(3) . .
C20 O2 C21 112.5(2) . .
C22 C27 C26 118.1(2) . .
C22 C27 C29 122.0(3) . .
C26 C27 C29 119.7(3) . .
C25 C26 C27 121.3(3) . .
C25 C26 H26 119.4 . .
C27 C26 H26 119.4 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C24 C25 C26 118.8(3) . .
C24 C25 C30 120.9(3) . .
C26 C25 C30 120.2(3) . .
C25 C30 H30A 109.5 . .
C25 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C25 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 C1 1.916(3) .
Ni1 C1 1.916(3) 2_566
Ni1 Cl1 2.1733(8) .
Ni1 Cl1 2.1733(8) 2_566
Ni2 C16 1.903(3) .
Ni2 C16 1.903(3) 2
Ni2 Cl2 2.1859(7) .
Ni2 Cl2 2.1859(7) 2
C1 N1 1.346(4) .
C1 N2 1.366(4) .
C2 C3 1.326(5) .
C2 N2 1.395(3) .
C2 H2 0.9300 .
C3 N1 1.388(4) .
C3 H3 0.9300 .
C4 N1 1.452(4) .
C4 C5 1.498(4) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 O1 1.413(4) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 O1 1.417(4) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C8 1.394(4) .
C7 C12 1.398(4) .
C7 N2 1.442(4) .
C8 C9 1.392(4) .
C8 C13 1.517(4) .
C9 C10 1.383(4) .
C9 H9 0.9300 .
C10 C11 1.386(4) .
C10 C15 1.506(4) .
C11 C12 1.385(4) .
C11 H11 0.9300 .
C12 C14 1.513(4) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 N4 1.360(3) .
C16 N3 1.365(3) .
C17 C18 1.339(4) .
C17 N3 1.378(4) .
C17 H17 0.9300 .
C18 N4 1.379(4) .
C18 H18 0.9300 .
C19 N3 1.469(3) .
C19 C20 1.499(4) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 O2 1.407(4) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 O2 1.424(4) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C27 1.390(4) .
C22 C23 1.394(4) .
C22 N4 1.453(3) .
C23 C24 1.392(4) .
C23 C28 1.504(4) .
C24 C25 1.391(4) .
C24 H24 0.9300 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C27 C26 1.394(4) .
C27 C29 1.510(4) .
C26 C25 1.393(4) .
C26 H26 0.9300 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C25 C30 1.518(4) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
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
C1 Ni1 C1 N1 -4(100) 2_566
Cl1 Ni1 C1 N1 81.4(2) .
Cl1 Ni1 C1 N1 -98.6(2) 2_566
C1 Ni1 C1 N2 176(100) 2_566
Cl1 Ni1 C1 N2 -98.0(2) .
Cl1 Ni1 C1 N2 82.0(2) 2_566
N2 C2 C3 N1 0.0(3) .
N1 C4 C5 O1 -62.5(4) .
C12 C7 C8 C9 0.1(4) .
N2 C7 C8 C9 173.5(2) .
C12 C7 C8 C13 -175.9(3) .
N2 C7 C8 C13 -2.5(4) .
C7 C8 C9 C10 -0.5(5) .
C13 C8 C9 C10 175.5(3) .
C8 C9 C10 C11 1.5(5) .
C8 C9 C10 C15 -173.7(3) .
C9 C10 C11 C12 -2.0(5) .
C15 C10 C11 C12 173.1(3) .
C10 C11 C12 C7 1.7(5) .
C10 C11 C12 C14 -175.5(3) .
C8 C7 C12 C11 -0.7(4) .
N2 C7 C12 C11 -174.0(3) .
C8 C7 C12 C14 176.5(3) .
N2 C7 C12 C14 3.1(4) .
C16 Ni2 C16 N4 134(100) 2
Cl2 Ni2 C16 N4 103.1(2) .
Cl2 Ni2 C16 N4 -76.9(2) 2
C16 Ni2 C16 N3 -45(100) 2
Cl2 Ni2 C16 N3 -76.7(2) .
Cl2 Ni2 C16 N3 103.3(2) 2
N3 C17 C18 N4 -0.3(3) .
N3 C19 C20 O2 65.4(3) .
C27 C22 C23 C24 2.5(4) .
N4 C22 C23 C24 179.6(3) .
C27 C22 C23 C28 -175.2(3) .
N4 C22 C23 C28 1.9(4) .
C22 C23 C24 C25 -1.2(5) .
C28 C23 C24 C25 176.5(3) .
N2 C1 N1 C3 0.2(3) .
Ni1 C1 N1 C3 -179.36(19) .
N2 C1 N1 C4 179.8(2) .
Ni1 C1 N1 C4 0.2(4) .
C2 C3 N1 C1 -0.1(4) .
C2 C3 N1 C4 -179.7(3) .
C5 C4 N1 C1 -100.8(3) .
C5 C4 N1 C3 78.7(4) .
N1 C1 N2 C2 -0.2(3) .
Ni1 C1 N2 C2 179.3(2) .
N1 C1 N2 C7 -179.3(3) .
Ni1 C1 N2 C7 0.3(4) .
C3 C2 N2 C1 0.1(3) .
C3 C2 N2 C7 179.3(3) .
C8 C7 N2 C1 87.5(4) .
C12 C7 N2 C1 -99.0(3) .
C8 C7 N2 C2 -91.5(3) .
C12 C7 N2 C2 82.0(3) .
N4 C16 N3 C17 -0.6(3) .
Ni2 C16 N3 C17 179.3(2) .
N4 C16 N3 C19 178.4(2) .
Ni2 C16 N3 C19 -1.7(4) .
C18 C17 N3 C16 0.6(3) .
C18 C17 N3 C19 -178.5(2) .
C20 C19 N3 C16 111.1(3) .
C20 C19 N3 C17 -70.0(4) .
N3 C16 N4 C18 0.5(3) .
Ni2 C16 N4 C18 -179.4(2) .
N3 C16 N4 C22 -176.6(2) .
Ni2 C16 N4 C22 3.5(4) .
C17 C18 N4 C16 -0.1(3) .
C17 C18 N4 C22 177.0(2) .
C27 C22 N4 C16 -83.9(3) .
C23 C22 N4 C16 98.8(3) .
C27 C22 N4 C18 99.3(3) .
C23 C22 N4 C18 -78.0(4) .
C4 C5 O1 C6 178.1(3) .
C19 C20 O2 C21 176.9(3) .
C23 C22 C27 C26 -2.2(4) .
N4 C22 C27 C26 -179.4(3) .
C23 C22 C27 C29 171.8(3) .
N4 C22 C27 C29 -5.3(4) .
C22 C27 C26 C25 0.7(4) .
C29 C27 C26 C25 -173.5(3) .
C23 C24 C25 C26 -0.2(5) .
C23 C24 C25 C30 -177.3(3) .
C27 C26 C25 C24 0.5(5) .
C27 C26 C25 C30 177.6(3) .
