#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/18/2211891.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2211891
loop_
_publ_author_name
'Castonguay, Annie'
'Beauchamp, André L.'
'Zargarian, Davit'
_publ_section_title
trans,trans-Bis[μ-1,5-bis(diisopropylphosphino)pentane-κ²P:P']bis[dichloronickel(II)]
_journal_coeditor_code           LH2268
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m196
_journal_page_last               m197
_journal_paper_doi               10.1107/S1600536806052913
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni2 Cl4 (C17 H38 P2)2]'
_chemical_formula_moiety         'C34 H76 Cl4 Ni2 P4'
_chemical_formula_sum            'C34 H76 Cl4 Ni2 P4'
_chemical_formula_weight         868.05
_chemical_name_systematic
;
trans,trans-Bis[μ-1,5-bis(diisopropylphosphino)pentane-
κ²P:P']bis[dichloronickel(II)]
;
_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                 99.212(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   21.1322(9)
_cell_length_b                   28.9229(10)
_cell_length_c                   11.4019(4)
_cell_measurement_reflns_used    6417
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      72.51
_cell_measurement_theta_min      3.06
_cell_volume                     6879.0(5)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'UdMX (Maris, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      220(2)
_diffrn_detector_area_resol_mean 5.5
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART 2000'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_av_sigmaI/netI    0.0516
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            55920
_diffrn_reflns_theta_full        72.88
_diffrn_reflns_theta_max         72.88
_diffrn_reflns_theta_min         2.12
_diffrn_standards_decay_%        -0.07
_diffrn_standards_number         527
_exptl_absorpt_coefficient_mu    4.632
_exptl_absorpt_correction_T_max  0.345
_exptl_absorpt_correction_T_min  0.238
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1999)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.636
_refine_diff_density_min         -0.437
_refine_ls_extinction_coef       0.000034(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   0.906
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     620
_refine_ls_number_reflns         13507
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.906
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0435
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0579P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1097
_reflns_number_gt                9282
_reflns_number_total             13507
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh2268.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (12
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (18 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (12
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (18 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        6879.0(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2211891
_cod_database_fobs_code          2211891
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Ni Ni1 0.06205(2) 0.621237(17) 0.37432(4) 0.03648(12) Uani d . 1
Ni Ni2 0.26923(2) 0.377533(16) 0.47184(4) 0.03510(12) Uani d . 1
Ni Ni3 0.38849(2) 0.614486(16) 0.98496(4) 0.03479(12) Uani d . 1
Cl Cl1 0.14048(4) 0.59963(3) 0.28631(7) 0.0555(2) Uani d . 1
Cl Cl2 -0.01549(4) 0.65607(3) 0.44078(8) 0.0597(2) Uani d . 1
Cl Cl3 0.20718(4) 0.36691(4) 0.60182(8) 0.0626(2) Uani d . 1
Cl Cl4 0.32412(4) 0.39954(3) 0.33549(6) 0.04658(18) Uani d . 1
Cl Cl5 0.32715(4) 0.58111(3) 0.83886(7) 0.0592(2) Uani d . 1
Cl Cl6 0.45459(4) 0.64287(3) 1.13177(7) 0.0534(2) Uani d . 1
P P1 -0.00810(4) 0.58477(2) 0.23542(6) 0.03591(17) Uani d . 1
P P2 0.19864(3) 0.34392(2) 0.32711(7) 0.03362(16) Uani d . 1
P P3 0.34363(4) 0.41184(2) 0.60777(7) 0.03556(17) Uani d . 1
P P4 0.13100(4) 0.64875(2) 0.52875(7) 0.03487(16) Uani d . 1
P P5 0.43974(4) 0.64753(3) 0.84771(7) 0.04289(19) Uani d . 1
P P6 0.66247(3) 0.41922(2) 0.87907(6) 0.03390(16) Uani d . 1
C C1 0.02215(14) 0.53213(9) 0.1736(3) 0.0405(7) Uani d . 1
H H1A -0.0137 0.5172 0.1223 0.049 Uiso calc R 1
H H1B 0.0534 0.5413 0.1231 0.049 Uiso calc R 1
C C2 0.05350(15) 0.49641(10) 0.2622(3) 0.0437(7) Uani d . 1
H H2A 0.0855 0.5117 0.3213 0.052 Uiso calc R 1
H H2B 0.0209 0.4829 0.3041 0.052 Uiso calc R 1
C C3 0.08560(14) 0.45821(10) 0.2027(3) 0.0413(7) Uani d . 1
H H3A 0.1147 0.4722 0.1539 0.050 Uiso calc R 1
H H3B 0.0527 0.4412 0.1494 0.050 Uiso calc R 1
C C4 0.12348(15) 0.42407(10) 0.2894(3) 0.0428(7) Uani d . 1
H H4A 0.1544 0.4412 0.3466 0.051 Uiso calc R 1
H H4B 0.0939 0.4081 0.3338 0.051 Uiso calc R 1
C C5 0.15935(14) 0.38828(10) 0.2263(2) 0.0382(7) Uani d . 1
H H5A 0.1917 0.4041 0.1883 0.046 Uiso calc R 1
H H5B 0.1290 0.3733 0.1637 0.046 Uiso calc R 1
C C6 0.34093(14) 0.47368(9) 0.5751(3) 0.0403(7) Uani d . 1
H H6A 0.3742 0.4895 0.6306 0.048 Uiso calc R 1
H H6B 0.3501 0.4786 0.4945 0.048 Uiso calc R 1
C C7 0.27564(14) 0.49469(9) 0.5851(3) 0.0431(7) Uani d . 1
H H7A 0.2421 0.4769 0.5351 0.052 Uiso calc R 1
H H7B 0.2682 0.4921 0.6675 0.052 Uiso calc R 1
C C8 0.27007(14) 0.54520(9) 0.5478(3) 0.0386(7) Uani d . 1
H H8A 0.3069 0.5622 0.5902 0.046 Uiso calc R 1
H H8B 0.2717 0.5474 0.4626 0.046 Uiso calc R 1
C C9 0.20866(14) 0.56765(9) 0.5731(3) 0.0408(7) Uani d . 1
H H9A 0.2036 0.5614 0.6556 0.049 Uiso calc R 1
H H9B 0.1720 0.5540 0.5212 0.049 Uiso calc R 1
C C10 0.20921(13) 0.61998(9) 0.5528(3) 0.0388(7) Uani d . 1
H H10A 0.2302 0.6260 0.4836 0.047 Uiso calc R 1
H H10B 0.2356 0.6343 0.6217 0.047 Uiso calc R 1
C C11 0.10085(15) 0.64609(10) 0.6720(3) 0.0435(7) Uani d . 1
H H11 0.0652 0.6685 0.6668 0.052 Uiso calc R 1
C C12 0.15541(16) 0.70997(10) 0.5164(3) 0.0537(9) Uani d . 1
H H12 0.1891 0.7162 0.5854 0.064 Uiso calc R 1
C C13 -0.08441(15) 0.56830(12) 0.2837(3) 0.0496(8) Uani d . 1
H H13 -0.1055 0.5975 0.3015 0.060 Uiso calc R 1
C C14 -0.03323(17) 0.61964(11) 0.1002(3) 0.0512(8) Uani d . 1
H H14 -0.0597 0.5995 0.0416 0.061 Uiso calc R 1
C C18 0.23314(15) 0.30144(10) 0.2321(3) 0.0479(8) Uani d . 1
H H18 0.1996 0.2779 0.2076 0.057 Uiso calc R 1
C C17 0.13075(14) 0.31264(10) 0.3748(3) 0.0426(7) Uani d . 1
H H17 0.1125 0.3337 0.4292 0.051 Uiso calc R 1
C C15 0.42834(14) 0.39292(11) 0.6111(3) 0.0445(7) Uani d . 1
H H15 0.4500 0.3958 0.6944 0.053 Uiso calc R 1
C C16 0.33314(16) 0.40861(11) 0.7658(3) 0.0469(8) Uani d . 1
H H16 0.2878 0.4164 0.7691 0.056 Uiso calc R 1
C C19 0.10217(18) 0.74438(12) 0.5233(4) 0.0760(12) Uani d . 1
H H19A 0.1190 0.7756 0.5225 0.114 Uiso calc R 1
H H19B 0.0849 0.7395 0.5962 0.114 Uiso calc R 1
H H19C 0.0685 0.7402 0.4557 0.114 Uiso calc R 1
C C20 0.1855(2) 0.71767(13) 0.4070(4) 0.0958(17) Uani d . 1
H H20A 0.1532 0.7143 0.3368 0.144 Uiso calc R 1
H H20B 0.2192 0.6951 0.4046 0.144 Uiso calc R 1
H H20C 0.2035 0.7485 0.4090 0.144 Uiso calc R 1
C C21 0.07274(17) 0.59853(12) 0.6933(3) 0.0569(9) Uani d . 1
H H21A 0.1069 0.5758 0.7053 0.085 Uiso calc R 1
H H21B 0.0416 0.5899 0.6248 0.085 Uiso calc R 1
H H21C 0.0520 0.5998 0.7632 0.085 Uiso calc R 1
C C22 0.15062(19) 0.66070(13) 0.7780(3) 0.0703(11) Uani d . 1
H H22A 0.1307 0.6620 0.8489 0.105 Uiso calc R 1
H H22B 0.1674 0.6910 0.7629 0.105 Uiso calc R 1
H H22C 0.1854 0.6384 0.7894 0.105 Uiso calc R 1
C C23 0.43103(18) 0.34161(12) 0.5778(3) 0.0691(11) Uani d . 1
H H23A 0.4126 0.3376 0.4948 0.104 Uiso calc R 1
H H23B 0.4068 0.3236 0.6270 0.104 Uiso calc R 1
H H23C 0.4753 0.3313 0.5904 0.104 Uiso calc R 1
C C24 0.46674(15) 0.42194(13) 0.5359(3) 0.0574(9) Uani d . 1
H H24A 0.5106 0.4109 0.5463 0.086 Uiso calc R 1
H H24B 0.4663 0.4540 0.5606 0.086 Uiso calc R 1
H H24C 0.4477 0.4194 0.4529 0.086 Uiso calc R 1
C C25 0.37418(18) 0.44271(13) 0.8464(3) 0.0658(10) Uani d . 1
H H25A 0.3660 0.4391 0.9272 0.099 Uiso calc R 1
H H25B 0.3636 0.4740 0.8195 0.099 Uiso calc R 1
H H25C 0.4191 0.4368 0.8439 0.099 Uiso calc R 1
C C26 0.34441(19) 0.35945(13) 0.8145(3) 0.0662(10) Uani d . 1
H H26A 0.3895 0.3517 0.8203 0.099 Uiso calc R 1
H H26B 0.3190 0.3379 0.7614 0.099 Uiso calc R 1
H H26C 0.3319 0.3576 0.8926 0.099 Uiso calc R 1
C C27 0.29014(17) 0.27605(12) 0.3040(3) 0.0639(10) Uani d . 1
H H27A 0.3047 0.2519 0.2556 0.096 Uiso calc R 1
H H27B 0.2771 0.2624 0.3741 0.096 Uiso calc R 1
H H27C 0.3248 0.2978 0.3281 0.096 Uiso calc R 1
C C28 0.25147(16) 0.32131(12) 0.1187(3) 0.0571(9) Uani d . 1
H H28A 0.2843 0.3447 0.1388 0.086 Uiso calc R 1
H H28B 0.2140 0.3351 0.0713 0.086 Uiso calc R 1
H H28C 0.2678 0.2968 0.0738 0.086 Uiso calc R 1
C C29 0.15356(17) 0.26980(11) 0.4473(3) 0.0609(10) Uani d . 1
H H29A 0.1187 0.2576 0.4841 0.091 Uiso calc R 1
H H29B 0.1892 0.2780 0.5085 0.091 Uiso calc R 1
H H29C 0.1673 0.2465 0.3956 0.091 Uiso calc R 1
C C30 0.07575(16) 0.30063(13) 0.2746(3) 0.0607(10) Uani d . 1
H H30A 0.0917 0.2809 0.2171 0.091 Uiso calc R 1
H H30B 0.0585 0.3288 0.2360 0.091 Uiso calc R 1
H H30C 0.0423 0.2846 0.3075 0.091 Uiso calc R 1
C C31 -0.13195(18) 0.54306(16) 0.1881(4) 0.0842(14) Uani d . 1
H H31A -0.1148 0.5130 0.1726 0.126 Uiso calc R 1
H H31B -0.1383 0.5611 0.1155 0.126 Uiso calc R 1
H H31C -0.1726 0.5392 0.2160 0.126 Uiso calc R 1
C C32 -0.07350(18) 0.54036(13) 0.3993(3) 0.0644(10) Uani d . 1
H H32A -0.1131 0.5388 0.4319 0.097 Uiso calc R 1
H H32B -0.0407 0.5552 0.4560 0.097 Uiso calc R 1
H H32C -0.0598 0.5093 0.3831 0.097 Uiso calc R 1
C C33 0.0243(2) 0.63535(15) 0.0449(3) 0.0835(14) Uani d . 1
H H33A 0.0095 0.6530 -0.0266 0.125 Uiso calc R 1
H H33B 0.0480 0.6085 0.0250 0.125 Uiso calc R 1
H H33C 0.0520 0.6545 0.1011 0.125 Uiso calc R 1
C C34 -0.0746(2) 0.66048(13) 0.1232(4) 0.0980(18) Uani d . 1
H H34A -0.0514 0.6796 0.1857 0.147 Uiso calc R 1
H H34B -0.1138 0.6494 0.1475 0.147 Uiso calc R 1
H H34C -0.0850 0.6786 0.0511 0.147 Uiso calc R 1
C C35 0.47097(16) 0.60169(11) 0.7618(3) 0.0491(8) Uani d . 1
H H35A 0.4350 0.5850 0.7154 0.059 Uiso calc R 1
H H35B 0.4963 0.6156 0.7061 0.059 Uiso calc R 1
C C36 0.51274(17) 0.56770(11) 0.8424(3) 0.0526(9) Uani d . 1
H H36A 0.5500 0.5842 0.8848 0.063 Uiso calc R 1
H H36B 0.4882 0.5557 0.9018 0.063 Uiso calc R 1
C C37 0.53582(16) 0.52742(10) 0.7752(3) 0.0464(8) Uani d . 1
H H37A 0.4985 0.5104 0.7348 0.056 Uiso calc R 1
H H37B 0.5591 0.5396 0.7141 0.056 Uiso calc R 1
C C38 0.57899(16) 0.49410(11) 0.8533(3) 0.0475(8) Uani d . 1
H H38A 0.5547 0.4799 0.9103 0.057 Uiso calc R 1
H H38B 0.6147 0.5114 0.8986 0.057 Uiso calc R 1
C C39 0.60597(14) 0.45596(10) 0.7830(2) 0.0388(7) Uani d . 1
H H39A 0.6277 0.4700 0.7220 0.047 Uiso calc R 1
H H39B 0.5706 0.4370 0.7427 0.047 Uiso calc R 1
C C40 0.3839(2) 0.68059(16) 0.7369(4) 0.0859(15) Uani d . 1
H H40 0.3553 0.6552 0.7027 0.103 Uiso calc R 1
C C41 0.51036(18) 0.68326(12) 0.9031(3) 0.0601(10) Uani d . 1
H H41 0.5343 0.6663 0.9716 0.072 Uiso calc R 1
C C42 0.72971(15) 0.45894(11) 0.9327(3) 0.0466(8) Uani d . 1
H H42 0.7157 0.4784 0.9951 0.056 Uiso calc R 1
C C43 0.69697(15) 0.37768(10) 0.7822(3) 0.0430(7) Uani d . 1
H H43 0.7359 0.3922 0.7606 0.052 Uiso calc R 1
C C44 0.33637(18) 0.70884(13) 0.7952(3) 0.0706(11) Uani d . 1
H H44A 0.3589 0.7337 0.8412 0.106 Uiso calc R 1
H H44B 0.3162 0.6890 0.8472 0.106 Uiso calc R 1
H H44C 0.3038 0.7217 0.7343 0.106 Uiso calc R 1
C C45 0.4015(2) 0.6979(2) 0.6343(4) 0.124(2) Uani d . 1
H H45A 0.3634 0.7057 0.5783 0.186 Uiso calc R 1
H H45B 0.4262 0.6749 0.5995 0.186 Uiso calc R 1
H H45C 0.4274 0.7255 0.6529 0.186 Uiso calc R 1
C C46 0.4910(2) 0.72955(12) 0.9528(4) 0.0840(14) Uani d . 1
H H46A 0.5284 0.7442 0.9978 0.126 Uiso calc R 1
H H46B 0.4594 0.7241 1.0043 0.126 Uiso calc R 1
H H46C 0.4728 0.7495 0.8877 0.126 Uiso calc R 1
C C47 0.55844(18) 0.69136(15) 0.8165(4) 0.0825(13) Uani d . 1
H H47A 0.5385 0.7103 0.7505 0.124 Uiso calc R 1
H H47B 0.5709 0.6619 0.7868 0.124 Uiso calc R 1
H H47C 0.5961 0.7071 0.8578 0.124 Uiso calc R 1
C C48 0.74676(18) 0.49177(13) 0.8381(3) 0.0682(11) Uani d . 1
H H48A 0.7809 0.5123 0.8733 0.102 Uiso calc R 1
H H48B 0.7093 0.5099 0.8060 0.102 Uiso calc R 1
H H48C 0.7609 0.4741 0.7748 0.102 Uiso calc R 1
C C49 0.78992(15) 0.43314(12) 0.9912(3) 0.0563(9) Uani d . 1
H H49A 0.8076 0.4156 0.9315 0.084 Uiso calc R 1
H H49B 0.7788 0.4122 1.0512 0.084 Uiso calc R 1
H H49C 0.8215 0.4552 1.0281 0.084 Uiso calc R 1
C C50 0.71854(18) 0.33367(11) 0.8525(3) 0.0619(10) Uani d . 1
H H50A 0.6812 0.3168 0.8684 0.093 Uiso calc R 1
H H50B 0.7450 0.3420 0.9271 0.093 Uiso calc R 1
H H50C 0.7431 0.3144 0.8066 0.093 Uiso calc R 1
C C51 0.65307(16) 0.36590(12) 0.6663(3) 0.0566(9) Uani d . 1
H H51A 0.6760 0.3465 0.6178 0.085 Uiso calc R 1
H H51B 0.6398 0.3942 0.6236 0.085 Uiso calc R 1
H H51C 0.6156 0.3496 0.6838 0.085 Uiso calc R 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl2 Ni1 Cl1 . . 167.87(5) y
Cl2 Ni1 P4 . . 89.60(3) y
Cl1 Ni1 P4 . . 90.97(3) y
Cl2 Ni1 P1 . . 90.82(3) y
Cl1 Ni1 P1 . . 90.31(3) y
P4 Ni1 P1 . . 171.91(4) y
Cl3 Ni2 Cl4 . . 170.36(4) y
Cl3 Ni2 P3 . . 91.39(3) y
Cl4 Ni2 P3 . . 88.26(3) y
Cl3 Ni2 P2 . . 92.16(3) y
Cl4 Ni2 P2 . . 88.24(3) y
P3 Ni2 P2 . . 176.46(4) y
Cl6 Ni3 Cl5 . . 175.36(4) y
Cl6 Ni3 P6 . 3_667 87.26(3) y
Cl5 Ni3 P6 . 3_667 92.48(3) y
Cl6 Ni3 P5 . . 93.09(4) y
Cl5 Ni3 P5 . . 87.13(4) y
P6 Ni3 P5 3_667 . 179.37(4) y
C1 P1 C14 . . 101.75(14) ?
C1 P1 C13 . . 105.94(15) ?
C14 P1 C13 . . 103.97(16) ?
C1 P1 Ni1 . . 115.37(10) ?
C14 P1 Ni1 . . 113.60(11) ?
C13 P1 Ni1 . . 114.77(11) ?
C5 P2 C17 . . 103.43(14) ?
C5 P2 C18 . . 106.11(14) ?
C17 P2 C18 . . 104.05(14) ?
C5 P2 Ni2 . . 109.70(10) ?
C17 P2 Ni2 . . 116.62(11) ?
C18 P2 Ni2 . . 115.75(11) ?
C6 P3 C16 . . 104.07(14) ?
C6 P3 C15 . . 106.85(14) ?
C16 P3 C15 . . 103.25(15) ?
C6 P3 Ni2 . . 107.19(10) ?
C16 P3 Ni2 . . 117.90(11) ?
C15 P3 Ni2 . . 116.49(10) ?
C10 P4 C11 . . 106.24(15) ?
C10 P4 C12 . . 100.93(14) ?
C11 P4 C12 . . 104.25(15) ?
C10 P4 Ni1 . . 114.41(10) ?
C11 P4 Ni1 . . 113.99(11) ?
C12 P4 Ni1 . . 115.61(12) ?
C35 P5 C41 . . 104.35(16) ?
C35 P5 C40 . . 104.70(17) ?
C41 P5 C40 . . 109.7(2) ?
C35 P5 Ni3 . . 108.57(11) ?
C41 P5 Ni3 . . 116.93(12) ?
C40 P5 Ni3 . . 111.60(14) ?
C39 P6 C42 . . 103.32(14) ?
C39 P6 C43 . . 107.48(13) ?
C42 P6 C43 . . 104.11(14) ?
C39 P6 Ni3 . 3_667 109.08(10) ?
C42 P6 Ni3 . 3_667 117.93(11) ?
C43 P6 Ni3 . 3_667 113.99(10) ?
C2 C1 P1 . . 116.7(2) ?
C2 C1 H1A . . 108.1 ?
P1 C1 H1A . . 108.1 ?
C2 C1 H1B . . 108.1 ?
P1 C1 H1B . . 108.1 ?
H1A C1 H1B . . 107.3 ?
C3 C2 C1 . . 112.1(2) ?
C3 C2 H2A . . 109.2 ?
C1 C2 H2A . . 109.2 ?
C3 C2 H2B . . 109.2 ?
C1 C2 H2B . . 109.2 ?
H2A C2 H2B . . 107.9 ?
C2 C3 C4 . . 114.0(2) ?
C2 C3 H3A . . 108.7 ?
C4 C3 H3A . . 108.7 ?
C2 C3 H3B . . 108.7 ?
C4 C3 H3B . . 108.7 ?
H3A C3 H3B . . 107.6 ?
C5 C4 C3 . . 112.3(2) ?
C5 C4 H4A . . 109.1 ?
C3 C4 H4A . . 109.1 ?
C5 C4 H4B . . 109.1 ?
C3 C4 H4B . . 109.1 ?
H4A C4 H4B . . 107.9 ?
C4 C5 P2 . . 112.81(19) ?
C4 C5 H5A . . 109 ?
P2 C5 H5A . . 109 ?
C4 C5 H5B . . 109 ?
P2 C5 H5B . . 109 ?
H5A C5 H5B . . 107.8 ?
C7 C6 P3 . . 111.9(2) ?
C7 C6 H6A . . 109.2 ?
P3 C6 H6A . . 109.2 ?
C7 C6 H6B . . 109.2 ?
P3 C6 H6B . . 109.2 ?
H6A C6 H6B . . 107.9 ?
C8 C7 C6 . . 113.1(3) ?
C8 C7 H7A . . 109 ?
C6 C7 H7A . . 109 ?
C8 C7 H7B . . 109 ?
C6 C7 H7B . . 109 ?
H7A C7 H7B . . 107.8 ?
C9 C8 C7 . . 112.8(2) ?
C9 C8 H8A . . 109 ?
C7 C8 H8A . . 109 ?
C9 C8 H8B . . 109 ?
C7 C8 H8B . . 109 ?
H8A C8 H8B . . 107.8 ?
C8 C9 C10 . . 111.5(2) ?
C8 C9 H9A . . 109.3 ?
C10 C9 H9A . . 109.3 ?
C8 C9 H9B . . 109.3 ?
C10 C9 H9B . . 109.3 ?
H9A C9 H9B . . 108 ?
C9 C10 P4 . . 116.3(2) ?
C9 C10 H10A . . 108.2 ?
P4 C10 H10A . . 108.2 ?
C9 C10 H10B . . 108.2 ?
P4 C10 H10B . . 108.2 ?
H10A C10 H10B . . 107.4 ?
C22 C11 C21 . . 111.0(3) ?
C22 C11 P4 . . 113.3(2) ?
C21 C11 P4 . . 112.0(2) ?
C22 C11 H11 . . 106.7 ?
C21 C11 H11 . . 106.7 ?
P4 C11 H11 . . 106.7 ?
C20 C12 C19 . . 111.2(3) ?
C20 C12 P4 . . 111.3(3) ?
C19 C12 P4 . . 113.9(2) ?
C20 C12 H12 . . 106.6 ?
C19 C12 H12 . . 106.6 ?
P4 C12 H12 . . 106.6 ?
C32 C13 C31 . . 110.5(3) ?
C32 C13 P1 . . 112.0(2) ?
C31 C13 P1 . . 114.3(2) ?
C32 C13 H13 . . 106.5 ?
C31 C13 H13 . . 106.5 ?
P1 C13 H13 . . 106.5 ?
C34 C14 C33 . . 111.0(3) ?
C34 C14 P1 . . 112.2(3) ?
C33 C14 P1 . . 111.5(2) ?
C34 C14 H14 . . 107.3 ?
C33 C14 H14 . . 107.3 ?
P1 C14 H14 . . 107.3 ?
C28 C18 C27 . . 110.6(3) ?
C28 C18 P2 . . 114.9(2) ?
C27 C18 P2 . . 110.6(2) ?
C28 C18 H18 . . 106.7 ?
C27 C18 H18 . . 106.7 ?
P2 C18 H18 . . 106.7 ?
C29 C17 C30 . . 110.9(3) ?
C29 C17 P2 . . 111.4(2) ?
C30 C17 P2 . . 115.0(2) ?
C29 C17 H17 . . 106.3 ?
C30 C17 H17 . . 106.3 ?
P2 C17 H17 . . 106.3 ?
C24 C15 C23 . . 110.4(3) ?
C24 C15 P3 . . 115.0(2) ?
C23 C15 P3 . . 110.6(2) ?
C24 C15 H15 . . 106.8 ?
C23 C15 H15 . . 106.8 ?
P3 C15 H15 . . 106.8 ?
C25 C16 C26 . . 110.0(3) ?
C25 C16 P3 . . 114.2(2) ?
C26 C16 P3 . . 111.3(2) ?
C25 C16 H16 . . 107 ?
C26 C16 H16 . . 107 ?
P3 C16 H16 . . 107 ?
C12 C19 H19A . . 109.5 ?
C12 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C12 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C12 C20 H20A . . 109.5 ?
C12 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C12 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
C11 C21 H21A . . 109.5 ?
C11 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C11 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C11 C22 H22A . . 109.5 ?
C11 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
C11 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
C15 C23 H23A . . 109.5 ?
C15 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C15 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C15 C24 H24A . . 109.5 ?
C15 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C15 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
C16 C25 H25A . . 109.5 ?
C16 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
C16 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
C16 C26 H26A . . 109.5 ?
C16 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
C16 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
C18 C27 H27A . . 109.5 ?
C18 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C18 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C18 C28 H28A . . 109.5 ?
C18 C28 H28B . . 109.5 ?
H28A C28 H28B . . 109.5 ?
C18 C28 H28C . . 109.5 ?
H28A C28 H28C . . 109.5 ?
H28B C28 H28C . . 109.5 ?
C17 C29 H29A . . 109.5 ?
C17 C29 H29B . . 109.5 ?
H29A C29 H29B . . 109.5 ?
C17 C29 H29C . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
C17 C30 H30A . . 109.5 ?
C17 C30 H30B . . 109.5 ?
H30A C30 H30B . . 109.5 ?
C17 C30 H30C . . 109.5 ?
H30A C30 H30C . . 109.5 ?
H30B C30 H30C . . 109.5 ?
C13 C31 H31A . . 109.5 ?
C13 C31 H31B . . 109.5 ?
H31A C31 H31B . . 109.5 ?
C13 C31 H31C . . 109.5 ?
H31A C31 H31C . . 109.5 ?
H31B C31 H31C . . 109.5 ?
C13 C32 H32A . . 109.5 ?
C13 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
C13 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
C14 C33 H33A . . 109.5 ?
C14 C33 H33B . . 109.5 ?
H33A C33 H33B . . 109.5 ?
C14 C33 H33C . . 109.5 ?
H33A C33 H33C . . 109.5 ?
H33B C33 H33C . . 109.5 ?
C14 C34 H34A . . 109.5 ?
C14 C34 H34B . . 109.5 ?
H34A C34 H34B . . 109.5 ?
C14 C34 H34C . . 109.5 ?
H34A C34 H34C . . 109.5 ?
H34B C34 H34C . . 109.5 ?
C36 C35 P5 . . 111.5(2) ?
C36 C35 H35A . . 109.3 ?
P5 C35 H35A . . 109.3 ?
C36 C35 H35B . . 109.3 ?
P5 C35 H35B . . 109.3 ?
H35A C35 H35B . . 108 ?
C37 C36 C35 . . 113.1(3) ?
C37 C36 H36A . . 109 ?
C35 C36 H36A . . 109 ?
C37 C36 H36B . . 109 ?
C35 C36 H36B . . 109 ?
H36A C36 H36B . . 107.8 ?
C38 C37 C36 . . 113.8(3) ?
C38 C37 H37A . . 108.8 ?
C36 C37 H37A . . 108.8 ?
C38 C37 H37B . . 108.8 ?
C36 C37 H37B . . 108.8 ?
H37A C37 H37B . . 107.7 ?
C37 C38 C39 . . 113.0(2) ?
C37 C38 H38A . . 109 ?
C39 C38 H38A . . 109 ?
C37 C38 H38B . . 109 ?
C39 C38 H38B . . 109 ?
H38A C38 H38B . . 107.8 ?
C38 C39 P6 . . 111.6(2) ?
C38 C39 H39A . . 109.3 ?
P6 C39 H39A . . 109.3 ?
C38 C39 H39B . . 109.3 ?
P6 C39 H39B . . 109.3 ?
H39A C39 H39B . . 108 ?
C45 C40 C44 . . 117.5(4) ?
C45 C40 P5 . . 122.5(3) ?
C44 C40 P5 . . 111.8(3) ?
C45 C40 H40 . . 99.6 ?
C44 C40 H40 . . 99.6 ?
P5 C40 H40 . . 99.6 ?
C46 C41 C47 . . 110.2(3) ?
C46 C41 P5 . . 111.5(3) ?
C47 C41 P5 . . 116.5(3) ?
C46 C41 H41 . . 106 ?
C47 C41 H41 . . 106 ?
P5 C41 H41 . . 106 ?
C48 C42 C49 . . 109.8(3) ?
C48 C42 P6 . . 114.1(2) ?
C49 C42 P6 . . 112.4(2) ?
C48 C42 H42 . . 106.7 ?
C49 C42 H42 . . 106.7 ?
P6 C42 H42 . . 106.7 ?
C51 C43 C50 . . 110.8(3) ?
C51 C43 P6 . . 114.7(2) ?
C50 C43 P6 . . 109.7(2) ?
C51 C43 H43 . . 107.1 ?
C50 C43 H43 . . 107.1 ?
P6 C43 H43 . . 107.1 ?
C40 C44 H44A . . 109.5 ?
C40 C44 H44B . . 109.5 ?
H44A C44 H44B . . 109.5 ?
C40 C44 H44C . . 109.5 ?
H44A C44 H44C . . 109.5 ?
H44B C44 H44C . . 109.5 ?
C40 C45 H45A . . 109.5 ?
C40 C45 H45B . . 109.5 ?
H45A C45 H45B . . 109.5 ?
C40 C45 H45C . . 109.5 ?
H45A C45 H45C . . 109.5 ?
H45B C45 H45C . . 109.5 ?
C41 C46 H46A . . 109.5 ?
C41 C46 H46B . . 109.5 ?
H46A C46 H46B . . 109.5 ?
C41 C46 H46C . . 109.5 ?
H46A C46 H46C . . 109.5 ?
H46B C46 H46C . . 109.5 ?
C41 C47 H47A . . 109.5 ?
C41 C47 H47B . . 109.5 ?
H47A C47 H47B . . 109.5 ?
C41 C47 H47C . . 109.5 ?
H47A C47 H47C . . 109.5 ?
H47B C47 H47C . . 109.5 ?
C42 C48 H48A . . 109.5 ?
C42 C48 H48B . . 109.5 ?
H48A C48 H48B . . 109.5 ?
C42 C48 H48C . . 109.5 ?
H48A C48 H48C . . 109.5 ?
H48B C48 H48C . . 109.5 ?
C42 C49 H49A . . 109.5 ?
C42 C49 H49B . . 109.5 ?
H49A C49 H49B . . 109.5 ?
C42 C49 H49C . . 109.5 ?
H49A C49 H49C . . 109.5 ?
H49B C49 H49C . . 109.5 ?
C43 C50 H50A . . 109.5 ?
C43 C50 H50B . . 109.5 ?
H50A C50 H50B . . 109.5 ?
C43 C50 H50C . . 109.5 ?
H50A C50 H50C . . 109.5 ?
H50B C50 H50C . . 109.5 ?
C43 C51 H51A . . 109.5 ?
C43 C51 H51B . . 109.5 ?
H51A C51 H51B . . 109.5 ?
C43 C51 H51C . . 109.5 ?
H51A C51 H51C . . 109.5 ?
H51B C51 H51C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 Cl2 . 2.1613(9) y
Ni1 Cl1 . 2.1627(9) y
Ni1 P4 . 2.2440(9) y
Ni1 P1 . 2.2508(9) y
Ni2 Cl3 . 2.1524(9) y
Ni2 Cl4 . 2.1782(9) y
Ni2 P3 . 2.2535(9) y
Ni2 P2 . 2.2595(9) y
Ni3 Cl6 . 2.1629(9) y
Ni3 Cl5 . 2.1670(9) y
Ni3 P6 3_667 2.2468(9) y
Ni3 P5 . 2.2535(9) y
P1 C1 . 1.835(3) ?
P1 C14 . 1.848(3) ?
P1 C13 . 1.848(3) ?
P2 C5 . 1.831(3) ?
P2 C17 . 1.850(3) ?
P2 C18 . 1.862(3) ?
P3 C6 . 1.826(3) ?
P3 C16 . 1.853(3) ?
P3 C15 . 1.867(3) ?
P4 C10 . 1.831(3) ?
P4 C11 . 1.848(3) ?
P4 C12 . 1.856(3) ?
P5 C35 . 1.833(3) ?
P5 C41 . 1.842(4) ?
P5 C40 . 1.852(4) ?
P6 C39 . 1.827(3) ?
P6 C42 . 1.853(3) ?
P6 C43 . 1.858(3) ?
P6 Ni3 3_667 2.2468(9) ?
C1 C2 . 1.521(4) ?
C1 H1a . 0.98 ?
C1 H1b . 0.98 ?
C2 C3 . 1.513(4) ?
C2 H2a . 0.98 ?
C2 H2b . 0.98 ?
C3 C4 . 1.530(4) ?
C3 H3a . 0.98 ?
C3 H3b . 0.98 ?
C4 C5 . 1.530(4) ?
C4 H4a . 0.98 ?
C4 H4b . 0.98 ?
C5 H5a . 0.98 ?
C5 H5b . 0.98 ?
C6 C7 . 1.528(4) ?
C6 H6a . 0.98 ?
C6 H6b . 0.98 ?
C7 C8 . 1.521(4) ?
C7 H7a . 0.98 ?
C7 H7b . 0.98 ?
C8 C9 . 1.519(4) ?
C8 H8a . 0.98 ?
C8 H8b . 0.98 ?
C9 C10 . 1.532(4) ?
C9 H9a . 0.98 ?
C9 H9b . 0.98 ?
C10 H10a . 0.98 ?
C10 H10b . 0.98 ?
C11 C22 . 1.529(4) ?
C11 C21 . 1.533(4) ?
C11 H11 . 0.99 ?
C12 C20 . 1.505(5) ?
C12 C19 . 1.514(4) ?
C12 H12 . 0.99 ?
C13 C32 . 1.531(5) ?
C13 C31 . 1.543(4) ?
C13 H13 . 0.99 ?
C14 C34 . 1.517(4) ?
C14 C33 . 1.525(5) ?
C14 H14 . 0.99 ?
C18 C28 . 1.520(4) ?
C18 C27 . 1.532(4) ?
C18 H18 . 0.99 ?
C17 C29 . 1.524(4) ?
C17 C30 . 1.533(4) ?
C17 H17 . 0.99 ?
C15 C24 . 1.523(4) ?
C15 C23 . 1.535(4) ?
C15 H15 . 0.99 ?
C16 C25 . 1.521(4) ?
C16 C26 . 1.531(4) ?
C16 H16 . 0.99 ?
C19 H19a . 0.97 ?
C19 H19b . 0.97 ?
C19 H19c . 0.97 ?
C20 H20a . 0.97 ?
C20 H20b . 0.97 ?
C20 H20c . 0.97 ?
C21 H21a . 0.97 ?
C21 H21b . 0.97 ?
C21 H21c . 0.97 ?
C22 H22a . 0.97 ?
C22 H22b . 0.97 ?
C22 H22c . 0.97 ?
C23 H23a . 0.97 ?
C23 H23b . 0.97 ?
C23 H23c . 0.97 ?
C24 H24a . 0.97 ?
C24 H24b . 0.97 ?
C24 H24c . 0.97 ?
C25 H25a . 0.97 ?
C25 H25b . 0.97 ?
C25 H25c . 0.97 ?
C26 H26a . 0.97 ?
C26 H26b . 0.97 ?
C26 H26c . 0.97 ?
C27 H27a . 0.97 ?
C27 H27b . 0.97 ?
C27 H27c . 0.97 ?
C28 H28a . 0.97 ?
C28 H28b . 0.97 ?
C28 H28c . 0.97 ?
C29 H29a . 0.97 ?
C29 H29b . 0.97 ?
C29 H29c . 0.97 ?
C30 H30a . 0.97 ?
C30 H30b . 0.97 ?
C30 H30c . 0.97 ?
C31 H31a . 0.97 ?
C31 H31b . 0.97 ?
C31 H31c . 0.97 ?
C32 H32a . 0.97 ?
C32 H32b . 0.97 ?
C32 H32c . 0.97 ?
C33 H33a . 0.97 ?
C33 H33b . 0.97 ?
C33 H33c . 0.97 ?
C34 H34a . 0.97 ?
C34 H34b . 0.97 ?
C34 H34c . 0.97 ?
C35 C36 . 1.526(4) ?
C35 H35a . 0.98 ?
C35 H35b . 0.98 ?
C36 C37 . 1.517(4) ?
C36 H36a . 0.98 ?
C36 H36b . 0.98 ?
C37 C38 . 1.515(4) ?
C37 H37a . 0.98 ?
C37 H37b . 0.98 ?
C38 C39 . 1.527(4) ?
C38 H38a . 0.98 ?
C38 H38b . 0.98 ?
C39 H39a . 0.98 ?
C39 H39b . 0.98 ?
C40 C45 . 1.378(5) ?
C40 C44 . 1.527(5) ?
C40 H40 . 0.99 ?
C41 C46 . 1.535(5) ?
C41 C47 . 1.544(4) ?
C41 H41 . 0.99 ?
C42 C48 . 1.523(4) ?
C42 C49 . 1.533(4) ?
C42 H42 . 0.99 ?
C43 C51 . 1.527(4) ?
C43 C50 . 1.535(4) ?
C43 H43 . 0.99 ?
C44 H44a . 0.97 ?
C44 H44b . 0.97 ?
C44 H44c . 0.97 ?
C45 H45a . 0.97 ?
C45 H45b . 0.97 ?
C45 H45c . 0.97 ?
C46 H46a . 0.97 ?
C46 H46b . 0.97 ?
C46 H46c . 0.97 ?
C47 H47a . 0.97 ?
C47 H47b . 0.97 ?
C47 H47c . 0.97 ?
C48 H48a . 0.97 ?
C48 H48b . 0.97 ?
C48 H48c . 0.97 ?
C49 H49a . 0.97 ?
C49 H49b . 0.97 ?
C49 H49c . 0.97 ?
C50 H50a . 0.97 ?
C50 H50b . 0.97 ?
C50 H50c . 0.97 ?
C51 H51a . 0.97 ?
C51 H51b . 0.97 ?
C51 H51c . 0.97 ?
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_site_symmetry_1
_geom_torsion
Cl2 Ni1 P1 C1 . -159.36(11)
Cl1 Ni1 P1 C1 . 32.72(11)
Cl2 Ni1 P1 C14 . 83.71(13)
Cl1 Ni1 P1 C14 . -84.22(13)
Cl2 Ni1 P1 C13 . -35.74(13)
Cl1 Ni1 P1 C13 . 156.33(13)
Cl3 Ni2 P2 C5 . 105.71(10)
Cl4 Ni2 P2 C5 . -64.65(10)
Cl3 Ni2 P2 C17 . -11.39(11)
Cl4 Ni2 P2 C17 . 178.25(11)
Cl3 Ni2 P2 C18 . -134.29(12)
Cl4 Ni2 P2 C18 . 55.35(12)
Cl3 Ni2 P3 C6 . -106.46(11)
Cl4 Ni2 P3 C6 . 63.90(11)
Cl3 Ni2 P3 C16 . 10.39(12)
Cl4 Ni2 P3 C16 . -179.25(12)
Cl3 Ni2 P3 C15 . 134.00(12)
Cl4 Ni2 P3 C15 . -55.64(12)
Cl2 Ni1 P4 C10 . 164.84(11)
Cl1 Ni1 P4 C10 . -27.27(11)
Cl2 Ni1 P4 C11 . 42.29(12)
Cl1 Ni1 P4 C11 . -149.83(11)
Cl2 Ni1 P4 C12 . -78.51(13)
Cl1 Ni1 P4 C12 . 89.37(13)
Cl6 Ni3 P5 C35 . 116.87(12)
Cl5 Ni3 P5 C35 . -58.49(12)
Cl6 Ni3 P5 C41 . -0.77(14)
Cl5 Ni3 P5 C41 . -176.13(13)
Cl6 Ni3 P5 C40 . -128.24(18)
Cl5 Ni3 P5 C40 . 56.40(18)
C14 P1 C1 C2 . 174.3(2)
C13 P1 C1 C2 . -77.3(3)
Ni1 P1 C1 C2 . 50.8(3)
P1 C1 C2 C3 . -171.1(2)
C1 C2 C3 C4 . 174.2(3)
C2 C3 C4 C5 . -175.6(3)
C3 C4 C5 P2 . -174.5(2)
C17 P2 C5 C4 . 66.1(2)
C18 P2 C5 C4 . 175.3(2)
Ni2 P2 C5 C4 . -59.0(2)
C16 P3 C6 C7 . -64.1(2)
C15 P3 C6 C7 . -172.9(2)
Ni2 P3 C6 C7 . 61.5(2)
P3 C6 C7 C8 . -174.9(2)
C6 C7 C8 C9 . -172.5(3)
C7 C8 C9 C10 . 171.2(2)
C8 C9 C10 P4 . 159.5(2)
C11 P4 C10 C9 . 68.8(3)
C12 P4 C10 C9 . 177.3(2)
Ni1 P4 C10 C9 . -57.8(2)
C10 P4 C11 C22 . 47.7(3)
C12 P4 C11 C22 . -58.5(3)
Ni1 P4 C11 C22 . 174.6(2)
C10 P4 C11 C21 . -78.8(3)
C12 P4 C11 C21 . 175.1(2)
Ni1 P4 C11 C21 . 48.1(3)
C10 P4 C12 C20 . 66.2(3)
C11 P4 C12 C20 . 176.3(3)
Ni1 P4 C12 C20 . -57.8(3)
C10 P4 C12 C19 . -167.0(3)
C11 P4 C12 C19 . -57.0(3)
Ni1 P4 C12 C19 . 69.0(3)
C1 P1 C13 C32 . 75.5(3)
C14 P1 C13 C32 . -177.7(2)
Ni1 P1 C13 C32 . -53.0(3)
C1 P1 C13 C31 . -51.1(3)
C14 P1 C13 C31 . 55.7(3)
Ni1 P1 C13 C31 . -179.6(2)
C1 P1 C14 C34 . 166.4(3)
C13 P1 C14 C34 . 56.5(3)
Ni1 P1 C14 C34 . -69.0(3)
C1 P1 C14 C33 . -68.4(3)
C13 P1 C14 C33 . -178.3(3)
Ni1 P1 C14 C33 . 56.3(3)
C5 P2 C18 C28 . 28.7(3)
C17 P2 C18 C28 . 137.4(2)
Ni2 P2 C18 C28 . -93.3(2)
C5 P2 C18 C27 . 154.7(2)
C17 P2 C18 C27 . -96.5(2)
Ni2 P2 C18 C27 . 32.8(3)
C5 P2 C17 C29 . 172.4(2)
C18 P2 C17 C29 . 61.7(3)
Ni2 P2 C17 C29 . -67.1(3)
C5 P2 C17 C30 . 45.2(3)
C18 P2 C17 C30 . -65.5(3)
Ni2 P2 C17 C30 . 165.7(2)
C6 P3 C15 C24 . -26.7(3)
C16 P3 C15 C24 . -136.1(2)
Ni2 P3 C15 C24 . 93.0(2)
C6 P3 C15 C23 . -152.6(2)
C16 P3 C15 C23 . 98.0(3)
Ni2 P3 C15 C23 . -32.9(3)
C6 P3 C16 C25 . -46.0(3)
C15 P3 C16 C25 . 65.5(3)
Ni2 P3 C16 C25 . -164.5(2)
C6 P3 C16 C26 . -171.3(3)
C15 P3 C16 C26 . -59.8(3)
Ni2 P3 C16 C26 . 70.2(3)
C41 P5 C35 C36 . 70.9(3)
C40 P5 C35 C36 . -173.8(3)
Ni3 P5 C35 C36 . -54.5(3)
P5 C35 C36 C37 . 176.1(2)
C35 C36 C37 C38 . 178.3(3)
C36 C37 C38 C39 . -175.4(3)
C37 C38 C39 P6 . 175.6(2)
C42 P6 C39 C38 . -65.5(3)
C43 P6 C39 C38 . -175.2(2)
Ni3 P6 C39 C38 3_667 60.7(2)
C35 P5 C40 C45 . -52.5(5)
C41 P5 C40 C45 . 58.9(5)
Ni3 P5 C40 C45 . -169.8(5)
C35 P5 C40 C44 . 159.9(3)
C41 P5 C40 C44 . -88.6(4)
Ni3 P5 C40 C44 . 42.7(4)
C35 P5 C41 C46 . 166.8(3)
C40 P5 C41 C46 . 55.1(3)
Ni3 P5 C41 C46 . -73.3(3)
C35 P5 C41 C47 . 39.1(3)
C40 P5 C41 C47 . -72.6(3)
Ni3 P5 C41 C47 . 159.0(3)
C39 P6 C42 C48 . -40.5(3)
C43 P6 C42 C48 . 71.7(3)
Ni3 P6 C42 C48 3_667 -160.8(2)
C39 P6 C42 C49 . -166.3(2)
C43 P6 C42 C49 . -54.1(3)
Ni3 P6 C42 C49 3_667 73.3(3)
C39 P6 C43 C51 . -28.3(3)
C42 P6 C43 C51 . -137.5(2)
Ni3 P6 C43 C51 3_667 92.7(2)
C39 P6 C43 C50 . -153.8(2)
C42 P6 C43 C50 . 97.0(3)
Ni3 P6 C43 C50 3_667 -32.8(3)
