#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/00/2210018.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_2210018
loop_
_publ_author_name
'Eckert, Nathan A.'
'Riordan, Charles G.'
'Yap, Glenn P. A.'
_publ_section_title
;
 Iodotris(triphenylphosphine)nickel(I) diethyl ether hemisolvate
;
_journal_coeditor_code           WW2020
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1766
_journal_page_last               m1767
_journal_paper_doi               10.1107/S160053680602527X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Ni I (C18 H15 P1)3] , 0.5C4 H10 O'
_chemical_formula_moiety         'C54 H45 I Ni P3 , 0.5C4 H10 O'
_chemical_formula_sum            'C56 H50 I Ni O0.5 P3'
_chemical_formula_weight         1009.48
_chemical_name_systematic
;
Iodotris(triphenylphosphine)nickel(I) diethyl ether hemisolvate
;
_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           SHELXL97
_cell_angle_alpha                113.354(4)
_cell_angle_beta                 105.597(4)
_cell_angle_gamma                98.451(4)
_cell_formula_units_Z            4
_cell_length_a                   13.072(4)
_cell_length_b                   20.035(5)
_cell_length_c                   21.364(6)
_cell_measurement_reflns_used    958
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      22.20
_cell_measurement_theta_min      2.73
_cell_volume                     4740(2)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 836.6
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_sigmaI/netI    0.0490
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            53243
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.200
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.6199
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.496
_refine_diff_density_min         -0.523
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1158
_refine_ls_number_reflns         21295
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0354
_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)+(0.0363P)²+0.8632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0790
_refine_ls_wR_factor_ref         0.0840
_reflns_number_gt                17682
_reflns_number_total             21295
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ww2020.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 (8
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 (6 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 (8
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 (6 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_formula_sum        'C56 H50 I Ni O0.50 P3'
_cod_database_code               2210018
_cod_database_fobs_code          2210018
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
I I1 0.372509(13) 0.373162(9) 0.243646(8) 0.02092(5) Uani d . 1 . .
I I2 0.912599(14) 0.852277(9) 0.249793(9) 0.02458(5) Uani d . 1 . .
Ni Ni1 0.33916(2) 0.248594(16) 0.256373(16) 0.01510(7) Uani d . 1 . .
Ni Ni2 0.89928(2) 0.717203(17) 0.239753(16) 0.01713(7) Uani d . 1 . .
P P1 0.32324(5) 0.26524(3) 0.36612(3) 0.01647(13) Uani d . 1 . .
P P2 0.20207(5) 0.15849(4) 0.14746(3) 0.01959(13) Uani d . 1 . .
P P3 0.50429(5) 0.22494(3) 0.26193(3) 0.01728(13) Uani d . 1 . .
P P4 0.92219(5) 0.74653(4) 0.35818(3) 0.01893(13) Uani d . 1 . .
P P5 0.73264(5) 0.63041(4) 0.15092(3) 0.01953(13) Uani d . 1 . .
P P6 1.05247(5) 0.68454(4) 0.22113(3) 0.01973(13) Uani d . 1 . .
C C1 0.5315(2) 0.29453(15) 0.47024(13) 0.0223(5) Uani d . 1 . .
H H1A 0.5266 0.2431 0.4414 0.027 Uiso calc R 1 . .
C C2 0.6246(2) 0.34042(16) 0.53225(14) 0.0271(6) Uani d . 1 . .
H H2A 0.6830 0.3199 0.5458 0.032 Uiso calc R 1 . .
C C3 0.6339(2) 0.41527(16) 0.57446(14) 0.0300(6) Uani d . 1 . .
H H3A 0.6981 0.4460 0.6170 0.036 Uiso calc R 1 . .
C C4 0.5500(2) 0.44549(15) 0.55494(14) 0.0280(6) Uani d . 1 . .
H H4A 0.5565 0.4973 0.5837 0.034 Uiso calc R 1 . .
C C5 0.4556(2) 0.40014(14) 0.49311(13) 0.0218(5) Uani d . 1 . .
H H5A 0.3978 0.4212 0.4799 0.026 Uiso calc R 1 . .
C C6 0.44505(19) 0.32392(13) 0.45022(12) 0.0175(5) Uani d . 1 . .
C C7 0.2051(2) 0.37034(14) 0.36474(13) 0.0228(5) Uani d . 1 . .
H H7A 0.2429 0.3785 0.3350 0.027 Uiso calc R 1 . .
C C8 0.1334(2) 0.41236(15) 0.38364(14) 0.0271(6) Uani d . 1 . .
H H8A 0.1206 0.4480 0.3657 0.033 Uiso calc R 1 . .
C C9 0.0804(2) 0.40254(16) 0.42872(15) 0.0317(6) Uani d . 1 . .
H H9A 0.0315 0.4315 0.4420 0.038 Uiso calc R 1 . .
C C10 0.0991(2) 0.35091(18) 0.45410(17) 0.0397(7) Uani d . 1 . .
H H10A 0.0639 0.3447 0.4858 0.048 Uiso calc R 1 . .
C C11 0.1690(2) 0.30746(17) 0.43389(15) 0.0319(6) Uani d . 1 . .
H H11A 0.1804 0.2712 0.4513 0.038 Uiso calc R 1 . .
C C12 0.22254(19) 0.31638(14) 0.38859(13) 0.0196(5) Uani d . 1 . .
C C13 0.3149(2) 0.17485(14) 0.44138(13) 0.0230(5) Uani d . 1 . .
H H13A 0.3693 0.2165 0.4838 0.028 Uiso calc R 1 . .
C C14 0.2750(2) 0.10862(15) 0.44409(14) 0.0272(6) Uani d . 1 . .
H H14A 0.3024 0.1052 0.4883 0.033 Uiso calc R 1 . .
C C15 0.1956(2) 0.04721(15) 0.38301(15) 0.0301(6) Uani d . 1 . .
H H15A 0.1697 0.0013 0.3847 0.036 Uiso calc R 1 . .
C C16 0.1543(2) 0.05375(15) 0.31927(15) 0.0312(6) Uani d . 1 . .
H H16A 0.0982 0.0126 0.2774 0.037 Uiso calc R 1 . .
C C17 0.1943(2) 0.11979(14) 0.31645(14) 0.0250(6) Uani d . 1 . .
H H17A 0.1654 0.1235 0.2725 0.030 Uiso calc R 1 . .
C C18 0.27621(19) 0.18119(13) 0.37706(13) 0.0180(5) Uani d . 1 . .
C C19 0.0540(2) 0.23585(16) 0.19018(15) 0.0331(7) Uani d . 1 . .
H H19A 0.1147 0.2644 0.2352 0.040 Uiso calc R 1 . .
C C20 -0.0452(2) 0.25488(18) 0.18233(17) 0.0423(8) Uani d . 1 . .
H H20A -0.0520 0.2959 0.2217 0.051 Uiso calc R 1 . .
C C21 -0.1330(2) 0.21414(18) 0.11755(17) 0.0415(8) Uani d . 1 . .
H H21A -0.2010 0.2269 0.1118 0.050 Uiso calc R 1 . .
C C22 -0.1228(2) 0.15445(19) 0.06055(16) 0.0426(8) Uani d . 1 . .
H H22A -0.1840 0.1260 0.0158 0.051 Uiso calc R 1 . .
C C23 -0.0237(2) 0.13601(17) 0.06837(15) 0.0355(7) Uani d . 1 . .
H H23A -0.0170 0.0954 0.0287 0.043 Uiso calc R 1 . .
C C24 0.0664(2) 0.17662(14) 0.13418(13) 0.0229(5) Uani d . 1 . .
C C25 0.0767(2) 0.01744(15) 0.12801(14) 0.0306(6) Uani d . 1 . .
H H25A 0.0132 0.0354 0.1226 0.037 Uiso calc R 1 . .
C C26 0.0691(3) -0.05227(16) 0.12779(15) 0.0405(8) Uani d . 1 . .
H H26A 0.0003 -0.0818 0.1222 0.049 Uiso calc R 1 . .
C C27 0.1605(3) -0.07915(16) 0.13567(16) 0.0448(9) Uani d . 1 . .
H H27A 0.1550 -0.1265 0.1367 0.054 Uiso calc R 1 . .
C C28 0.2598(3) -0.03745(16) 0.14207(16) 0.0408(8) Uani d . 1 . .
H H28A 0.3225 -0.0564 0.1465 0.049 Uiso calc R 1 . .
C C29 0.2680(2) 0.03240(15) 0.14203(14) 0.0299(6) Uani d . 1 . .
H H29A 0.3365 0.0608 0.1461 0.036 Uiso calc R 1 . .
C C30 0.1772(2) 0.06158(14) 0.13607(13) 0.0243(6) Uani d . 1 . .
C C31 0.2256(2) 0.08183(15) 0.00974(13) 0.0255(6) Uani d . 1 . .
H H31A 0.2242 0.0389 0.0186 0.031 Uiso calc R 1 . .
C C32 0.2369(2) 0.07809(16) -0.05414(14) 0.0308(6) Uani d . 1 . .
H H32A 0.2447 0.0331 -0.0884 0.037 Uiso calc R 1 . .
C C33 0.2370(2) 0.13969(17) -0.06799(14) 0.0316(6) Uani d . 1 . .
H H33A 0.2445 0.1371 -0.1119 0.038 Uiso calc R 1 . .
C C34 0.2262(2) 0.20538(16) -0.01799(14) 0.0297(6) Uani d . 1 . .
H H34A 0.2253 0.2476 -0.0279 0.036 Uiso calc R 1 . .
C C35 0.2165(2) 0.20980(14) 0.04642(13) 0.0245(6) Uani d . 1 . .
H H35A 0.2102 0.2553 0.0809 0.029 Uiso calc R 1 . .
C C36 0.21608(19) 0.14763(14) 0.06093(13) 0.0207(5) Uani d . 1 . .
C C37 0.4590(2) 0.11690(14) 0.30790(14) 0.0239(6) Uani d . 1 . .
H H37A 0.3841 0.1124 0.2833 0.029 Uiso calc R 1 . .
C C38 0.4819(2) 0.07447(15) 0.34514(15) 0.0310(6) Uani d . 1 . .
H H38A 0.4230 0.0410 0.3457 0.037 Uiso calc R 1 . .
C C39 0.5902(3) 0.08102(16) 0.38115(14) 0.0336(7) Uani d . 1 . .
H H39A 0.6062 0.0528 0.4075 0.040 Uiso calc R 1 . .
C C40 0.6755(2) 0.12854(16) 0.37898(15) 0.0321(7) Uani d . 1 . .
H H40A 0.7502 0.1323 0.4031 0.039 Uiso calc R 1 . .
C C41 0.6527(2) 0.17083(15) 0.34188(14) 0.0265(6) Uani d . 1 . .
H H41A 0.7119 0.2036 0.3408 0.032 Uiso calc R 1 . .
C C42 0.5437(2) 0.16576(13) 0.30616(13) 0.0196(5) Uani d . 1 . .
C C43 0.5650(2) 0.11893(14) 0.15382(14) 0.0257(6) Uani d . 1 . .
H H43A 0.5846 0.0971 0.1859 0.031 Uiso calc R 1 . .
C C44 0.5799(2) 0.08934(16) 0.08686(15) 0.0335(7) Uani d . 1 . .
H H44A 0.6091 0.0472 0.0733 0.040 Uiso calc R 1 . .
C C45 0.5522(2) 0.12126(16) 0.04034(14) 0.0324(7) Uani d . 1 . .
H H45A 0.5625 0.1011 -0.0052 0.039 Uiso calc R 1 . .
C C46 0.5098(2) 0.18231(15) 0.05996(14) 0.0272(6) Uani d . 1 . .
H H46A 0.4917 0.2046 0.0281 0.033 Uiso calc R 1 . .
C C47 0.4934(2) 0.21150(14) 0.12607(13) 0.0232(5) Uani d . 1 . .
H H47A 0.4628 0.2530 0.1389 0.028 Uiso calc R 1 . .
C C48 0.52156(19) 0.17994(13) 0.17378(13) 0.0193(5) Uani d . 1 . .
C C49 0.7167(2) 0.31411(15) 0.29019(14) 0.0242(6) Uani d . 1 . .
H H49A 0.7195 0.2718 0.2502 0.029 Uiso calc R 1 . .
C C50 0.8042(2) 0.37984(15) 0.32763(14) 0.0279(6) Uani d . 1 . .
H H50A 0.8667 0.3823 0.3131 0.033 Uiso calc R 1 . .
C C51 0.8015(2) 0.44190(15) 0.38588(14) 0.0253(6) Uani d . 1 . .
H H51A 0.8617 0.4870 0.4113 0.030 Uiso calc R 1 . .
C C52 0.7104(2) 0.43798(14) 0.40694(13) 0.0236(5) Uani d . 1 . .
H H52A 0.7085 0.4803 0.4473 0.028 Uiso calc R 1 . .
C C53 0.6221(2) 0.37263(13) 0.36942(13) 0.0201(5) Uani d . 1 . .
H H53A 0.5593 0.3707 0.3837 0.024 Uiso calc R 1 . .
C C54 0.62460(19) 0.30961(14) 0.31071(13) 0.0186(5) Uani d . 1 . .
C C55 1.0919(2) 0.88253(14) 0.43217(14) 0.0237(5) Uani d . 1 . .
H H55A 1.1126 0.8632 0.3905 0.028 Uiso calc R 1 . .
C C56 1.1577(2) 0.95049(15) 0.49235(14) 0.0278(6) Uani d . 1 . .
H H56A 1.2245 0.9765 0.4923 0.033 Uiso calc R 1 . .
C C57 1.1271(2) 0.98070(15) 0.55246(14) 0.0299(6) Uani d . 1 . .
H H57A 1.1723 1.0276 0.5933 0.036 Uiso calc R 1 . .
C C58 1.0308(2) 0.94258(15) 0.55303(14) 0.0307(6) Uani d . 1 . .
H H58A 1.0090 0.9635 0.5940 0.037 Uiso calc R 1 . .
C C59 0.9654(2) 0.87318(15) 0.49334(14) 0.0266(6) Uani d . 1 . .
H H59A 0.8997 0.8467 0.4943 0.032 Uiso calc R 1 . .
C C60 0.9955(2) 0.84245(14) 0.43249(13) 0.0215(5) Uani d . 1 . .
C C61 1.0724(2) 0.72178(14) 0.46551(14) 0.0247(6) Uani d . 1 . .
H H61A 1.0926 0.7748 0.4966 0.030 Uiso calc R 1 . .
C C62 1.1248(2) 0.67629(15) 0.48899(14) 0.0254(6) Uani d . 1 . .
H H62A 1.1811 0.6984 0.5361 0.030 Uiso calc R 1 . .
C C63 1.0961(2) 0.59903(14) 0.44471(14) 0.0239(5) Uani d . 1 . .
H H63A 1.1321 0.5680 0.4613 0.029 Uiso calc R 1 . .
C C64 1.0146(2) 0.56727(14) 0.37603(14) 0.0239(5) Uani d . 1 . .
H H64A 0.9944 0.5142 0.3453 0.029 Uiso calc R 1 . .
C C65 0.9626(2) 0.61254(14) 0.35198(13) 0.0219(5) Uani d . 1 . .
H H65A 0.9073 0.5902 0.3045 0.026 Uiso calc R 1 . .
C C66 0.9899(2) 0.69015(13) 0.39620(13) 0.0193(5) Uani d . 1 . .
C C67 0.7424(2) 0.67626(16) 0.38347(14) 0.0311(6) Uani d . 1 . .
H H67A 0.7878 0.6482 0.3980 0.037 Uiso calc R 1 . .
C C68 0.6330(2) 0.66257(19) 0.38053(15) 0.0406(8) Uani d . 1 . .
H H68A 0.6040 0.6244 0.3920 0.049 Uiso calc R 1 . .
C C69 0.5669(3) 0.7038(2) 0.36117(16) 0.0466(9) Uani d . 1 . .
H H69A 0.4926 0.6944 0.3596 0.056 Uiso calc R 1 . .
C C70 0.6087(2) 0.7588(2) 0.34400(16) 0.0436(8) Uani d . 1 . .
H H70A 0.5636 0.7879 0.3312 0.052 Uiso calc R 1 . .
C C71 0.7168(2) 0.77174(17) 0.34548(15) 0.0344(7) Uani d . 1 . .
H H71A 0.7448 0.8091 0.3328 0.041 Uiso calc R 1 . .
C C72 0.7849(2) 0.73048(15) 0.36538(13) 0.0246(6) Uani d . 1 . .
C C73 0.6925(2) 0.53025(15) 0.20746(14) 0.0279(6) Uani d . 1 . .
H H73A 0.7001 0.5748 0.2494 0.033 Uiso calc R 1 . .
C C74 0.6742(2) 0.46085(17) 0.20863(16) 0.0340(7) Uani d . 1 . .
H H74A 0.6689 0.4582 0.2511 0.041 Uiso calc R 1 . .
C C75 0.6638(2) 0.39591(17) 0.14840(17) 0.0363(7) Uani d . 1 . .
H H75A 0.6536 0.3486 0.1498 0.044 Uiso calc R 1 . .
C C76 0.6681(2) 0.39965(15) 0.08599(16) 0.0327(7) Uani d . 1 . .
H H76A 0.6599 0.3547 0.0442 0.039 Uiso calc R 1 . .
C C77 0.6845(2) 0.46867(14) 0.08407(15) 0.0263(6) Uani d . 1 . .
H H77A 0.6851 0.4704 0.0404 0.032 Uiso calc R 1 . .
C C78 0.6999(2) 0.53547(14) 0.14548(14) 0.0223(5) Uani d . 1 . .
C C79 0.5100(2) 0.60836(16) 0.14447(16) 0.0330(7) Uani d . 1 . .
H H79A 0.5094 0.5583 0.1371 0.040 Uiso calc R 1 . .
C C80 0.4142(2) 0.63143(17) 0.14470(18) 0.0420(8) Uani d . 1 . .
H H80A 0.3491 0.5973 0.1384 0.050 Uiso calc R 1 . .
C C81 0.4139(3) 0.70374(18) 0.1541(2) 0.0508(9) Uani d . 1 . .
H H81A 0.3489 0.7195 0.1542 0.061 Uiso calc R 1 . .
C C82 0.5084(3) 0.75262(18) 0.1631(2) 0.0508(9) Uani d . 1 . .
H H82A 0.5077 0.8019 0.1683 0.061 Uiso calc R 1 . .
C C83 0.6044(2) 0.73100(16) 0.16485(17) 0.0364(7) Uani d . 1 . .
H H83A 0.6697 0.7661 0.1728 0.044 Uiso calc R 1 . .
C C84 0.6061(2) 0.65827(14) 0.15503(14) 0.0245(6) Uani d . 1 . .
C C85 0.6302(2) 0.61399(15) 0.00801(14) 0.0275(6) Uani d . 1 . .
H H85A 0.5718 0.6295 0.0228 0.033 Uiso calc R 1 . .
C C86 0.6272(2) 0.59749(16) -0.06231(15) 0.0328(7) Uani d . 1 . .
H H86A 0.5670 0.6024 -0.0951 0.039 Uiso calc R 1 . .
C C87 0.7102(2) 0.57419(15) -0.08483(15) 0.0325(7) Uani d . 1 . .
H H87A 0.7076 0.5635 -0.1328 0.039 Uiso calc R 1 . .
C C88 0.7981(2) 0.56615(15) -0.03761(14) 0.0295(6) Uani d . 1 . .
H H88A 0.8551 0.5491 -0.0534 0.035 Uiso calc R 1 . .
C C89 0.8025(2) 0.58310(14) 0.03269(14) 0.0247(6) Uani d . 1 . .
H H89A 0.8630 0.5779 0.0650 0.030 Uiso calc R 1 . .
C C90 0.7194(2) 0.60769(13) 0.05663(13) 0.0203(5) Uani d . 1 . .
C C91 1.0265(2) 0.72711(15) 0.10907(14) 0.0278(6) Uani d . 1 . .
H H91A 0.9937 0.7623 0.1353 0.033 Uiso calc R 1 . .
C C92 1.0353(2) 0.72433(15) 0.04488(14) 0.0308(6) Uani d . 1 . .
H H92A 1.0095 0.7582 0.0279 0.037 Uiso calc R 1 . .
C C93 1.0812(2) 0.67262(16) 0.00563(15) 0.0338(7) Uani d . 1 . .
H H93A 1.0875 0.6711 -0.0382 0.041 Uiso calc R 1 . .
C C94 1.1180(2) 0.62299(17) 0.03019(15) 0.0351(7) Uani d . 1 . .
H H94A 1.1484 0.5867 0.0028 0.042 Uiso calc R 1 . .
C C95 1.1105(2) 0.62610(16) 0.09464(14) 0.0287(6) Uani d . 1 . .
H H95A 1.1363 0.5920 0.1112 0.034 Uiso calc R 1 . .
C C96 1.0657(2) 0.67846(14) 0.13547(13) 0.0215(5) Uani d . 1 . .
C C97 1.2323(3) 0.81478(16) 0.27985(17) 0.0397(7) Uani d . 1 . .
H H97A 1.2013 0.8171 0.2354 0.048 Uiso calc R 1 . .
C C98 1.3268(3) 0.87046(18) 0.33422(19) 0.0533(10) Uani d . 1 . .
H H98A 1.3598 0.9109 0.3269 0.064 Uiso calc R 1 . .
C C99 1.3734(3) 0.86781(17) 0.39905(18) 0.0467(8) Uani d . 1 . .
H H99A 1.4391 0.9056 0.4358 0.056 Uiso calc R 1 . .
C C100 1.3241(2) 0.81035(16) 0.41002(15) 0.0347(7) Uani d . 1 . .
H H10B 1.3554 0.8087 0.4548 0.042 Uiso calc R 1 . .
C C101 1.2292(2) 0.75460(15) 0.35634(14) 0.0267(6) Uani d . 1 . .
H H10C 1.1953 0.7153 0.3648 0.032 Uiso calc R 1 . .
C C102 1.1826(2) 0.75573(14) 0.28980(13) 0.0233(5) Uani d . 1 . .
C C103 1.1830(2) 0.58598(15) 0.23836(13) 0.0256(6) Uani d . 1 . .
H H10D 1.2469 0.6271 0.2559 0.031 Uiso calc R 1 . .
C C104 1.1949(2) 0.51665(15) 0.23305(14) 0.0277(6) Uani d . 1 . .
H H10E 1.2671 0.5108 0.2476 0.033 Uiso calc R 1 . .
C C105 1.1036(2) 0.45621(16) 0.20696(14) 0.0308(6) Uani d . 1 . .
H H10F 1.1126 0.4087 0.2032 0.037 Uiso calc R 1 . .
C C106 0.9981(2) 0.46452(15) 0.18610(15) 0.0300(6) Uani d . 1 . .
H H10G 0.9347 0.4229 0.1682 0.036 Uiso calc R 1 . .
C C107 0.9857(2) 0.53386(14) 0.19152(13) 0.0246(6) Uani d . 1 . .
H H10H 0.9133 0.5392 0.1768 0.030 Uiso calc R 1 . .
C C108 1.0771(2) 0.59588(13) 0.21802(13) 0.0194(5) Uani d . 1 . .
O O1 0.7659(3) 0.0598(2) 0.2164(2) 0.0334(8) Uani d PD 0.66 A 1
C C109 0.8717(9) 0.1066(7) 0.2313(6) 0.051(2) Uani d PD 0.66 A 1
H H10I 0.8628 0.1290 0.1970 0.061 Uiso calc PR 0.66 A 1
H H10J 0.9213 0.0740 0.2212 0.061 Uiso calc PR 0.66 A 1
C C110 0.9261(6) 0.1685(4) 0.3065(3) 0.069(2) Uani d PD 0.66 A 1
H H11B 0.9968 0.1984 0.3112 0.103 Uiso calc PR 0.66 A 1
H H11C 0.9397 0.1471 0.3409 0.103 Uiso calc PR 0.66 A 1
H H11D 0.8780 0.2013 0.3173 0.103 Uiso calc PR 0.66 A 1
C C111 0.7688(6) 0.0107(3) 0.2478(3) 0.0526(16) Uani d PD 0.66 A 1
H H11E 0.7963 0.0399 0.3017 0.063 Uiso calc PR 0.66 A 1
H H11F 0.8186 -0.0206 0.2340 0.063 Uiso calc PR 0.66 A 1
C C112 0.6482(11) -0.0406(7) 0.2185(8) 0.082(5) Uani d PD 0.66 A 1
H H11G 0.6469 -0.0770 0.2386 0.122 Uiso calc PR 0.66 A 1
H H11H 0.6214 -0.0682 0.1651 0.122 Uiso calc PR 0.66 A 1
H H11I 0.6002 -0.0091 0.2335 0.122 Uiso calc PR 0.66 A 1
O O2 0.7284(6) 0.0281(4) 0.2190(4) 0.0353(16) Uani d PD 0.34 B 2
C C113 0.8474(7) 0.0570(5) 0.2610(5) 0.038(2) Uani d PD 0.34 B 2
H H11J 0.8839 0.0170 0.2434 0.046 Uiso calc PR 0.34 B 2
H H11K 0.8609 0.0725 0.3134 0.046 Uiso calc PR 0.34 B 2
C C114 0.8930(18) 0.1233(13) 0.2515(15) 0.101(12) Uani d PD 0.34 B 2
H H11L 0.9715 0.1464 0.2827 0.151 Uiso calc PR 0.34 B 2
H H11M 0.8521 0.1607 0.2651 0.151 Uiso calc PR 0.34 B 2
H H11N 0.8854 0.1065 0.2002 0.151 Uiso calc PR 0.34 B 2
C C115 0.6734(13) -0.0311(9) 0.2296(11) 0.028(3) Uani d PD 0.34 B 2
H H11O 0.6880 -0.0139 0.2823 0.034 Uiso calc PR 0.34 B 2
H H11P 0.7009 -0.0759 0.2112 0.034 Uiso calc PR 0.34 B 2
C C116 0.5484(9) -0.0521(7) 0.1876(9) 0.086(5) Uani d PD 0.34 B 2
H H11Q 0.5073 -0.0812 0.2052 0.129 Uiso calc PR 0.34 B 2
H H11R 0.5320 -0.0828 0.1353 0.129 Uiso calc PR 0.34 B 2
H H11S 0.5261 -0.0056 0.1955 0.129 Uiso calc PR 0.34 B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
I I -0.4742 1.8119 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
P3 Ni1 P1 105.34(2) ?
P3 Ni1 P2 109.96(3) ?
P1 Ni1 P2 119.97(3) ?
P3 Ni1 I1 100.38(2) y
P1 Ni1 I1 113.73(2) y
P2 Ni1 I1 105.72(3) y
P4 Ni2 P6 106.95(3) ?
P4 Ni2 P5 116.77(3) ?
P6 Ni2 P5 113.82(3) ?
P4 Ni2 I2 98.22(2) y
P6 Ni2 I2 108.67(2) y
P5 Ni2 I2 111.11(2) y
C18 P1 C12 101.16(11) ?
C18 P1 C6 102.89(11) ?
C12 P1 C6 99.64(11) ?
C18 P1 Ni1 118.71(8) ?
C12 P1 Ni1 113.40(8) ?
C6 P1 Ni1 118.11(8) ?
C30 P2 C24 105.12(12) ?
C30 P2 C36 102.73(11) ?
C24 P2 C36 99.78(11) ?
C30 P2 Ni1 114.77(8) ?
C24 P2 Ni1 113.52(8) ?
C36 P2 Ni1 118.93(8) ?
C48 P3 C42 104.30(11) ?
C48 P3 C54 100.51(11) ?
C42 P3 C54 103.04(11) ?
C48 P3 Ni1 115.28(8) ?
C42 P3 Ni1 116.74(8) ?
C54 P3 Ni1 114.91(8) ?
C66 P4 C60 100.63(11) ?
C66 P4 C72 104.28(12) ?
C60 P4 C72 102.56(12) ?
C66 P4 Ni2 117.16(8) ?
C60 P4 Ni2 121.61(8) ?
C72 P4 Ni2 108.49(8) ?
C90 P5 C84 101.51(12) ?
C90 P5 C78 101.66(11) ?
C84 P5 C78 102.71(12) ?
C90 P5 Ni2 115.01(8) ?
C84 P5 Ni2 116.57(8) ?
C78 P5 Ni2 117.04(8) ?
C108 P6 C102 102.58(11) ?
C108 P6 C96 101.74(11) ?
C102 P6 C96 101.88(12) ?
C108 P6 Ni2 121.16(8) ?
C102 P6 Ni2 112.95(8) ?
C96 P6 Ni2 114.10(8) ?
C2 C1 C6 120.0(2) ?
C2 C1 H1A 120.0 ?
C6 C1 H1A 120.0 ?
C3 C2 C1 121.0(3) ?
C3 C2 H2A 119.5 ?
C1 C2 H2A 119.5 ?
C4 C3 C2 119.8(2) ?
C4 C3 H3A 120.1 ?
C2 C3 H3A 120.1 ?
C3 C4 C5 120.0(3) ?
C3 C4 H4A 120.0 ?
C5 C4 H4A 120.0 ?
C4 C5 C6 120.6(2) ?
C4 C5 H5A 119.7 ?
C6 C5 H5A 119.7 ?
C1 C6 C5 118.6(2) ?
C1 C6 P1 120.72(19) ?
C5 C6 P1 120.58(18) ?
C8 C7 C12 121.0(2) ?
C8 C7 H7A 119.5 ?
C12 C7 H7A 119.5 ?
C9 C8 C7 120.0(3) ?
C9 C8 H8A 120.0 ?
C7 C8 H8A 120.0 ?
C10 C9 C8 119.6(3) ?
C10 C9 H9A 120.2 ?
C8 C9 H9A 120.2 ?
C9 C10 C11 120.5(3) ?
C9 C10 H10A 119.8 ?
C11 C10 H10A 119.8 ?
C12 C11 C10 120.7(3) ?
C12 C11 H11A 119.6 ?
C10 C11 H11A 119.6 ?
C11 C12 C7 118.2(2) ?
C11 C12 P1 122.00(19) ?
C7 C12 P1 119.61(19) ?
C14 C13 C18 120.7(2) ?
C14 C13 H13A 119.7 ?
C18 C13 H13A 119.7 ?
C13 C14 C15 120.7(2) ?
C13 C14 H14A 119.7 ?
C15 C14 H14A 119.7 ?
C14 C15 C16 119.0(2) ?
C14 C15 H15A 120.5 ?
C16 C15 H15A 120.5 ?
C17 C16 C15 120.3(2) ?
C17 C16 H16A 119.8 ?
C15 C16 H16A 119.8 ?
C16 C17 C18 121.1(2) ?
C16 C17 H17A 119.5 ?
C18 C17 H17A 119.5 ?
C17 C18 C13 118.2(2) ?
C17 C18 P1 116.89(18) ?
C13 C18 P1 124.94(18) ?
C24 C19 C20 121.6(3) ?
C24 C19 H19A 119.2 ?
C20 C19 H19A 119.2 ?
C21 C20 C19 119.5(3) ?
C21 C20 H20A 120.2 ?
C19 C20 H20A 120.2 ?
C20 C21 C22 120.0(3) ?
C20 C21 H21A 120.0 ?
C22 C21 H21A 120.0 ?
C21 C22 C23 120.3(3) ?
C21 C22 H22A 119.8 ?
C23 C22 H22A 119.8 ?
C22 C23 C24 120.4(3) ?
C22 C23 H23A 119.8 ?
C24 C23 H23A 119.8 ?
C19 C24 C23 118.1(2) ?
C19 C24 P2 118.8(2) ?
C23 C24 P2 123.0(2) ?
C26 C25 C30 120.5(3) ?
C26 C25 H25A 119.8 ?
C30 C25 H25A 119.8 ?
C27 C26 C25 120.5(3) ?
C27 C26 H26A 119.7 ?
C25 C26 H26A 119.7 ?
C26 C27 C28 120.1(3) ?
C26 C27 H27A 120.0 ?
C28 C27 H27A 120.0 ?
C27 C28 C29 119.7(3) ?
C27 C28 H28A 120.1 ?
C29 C28 H28A 120.1 ?
C28 C29 C30 121.1(3) ?
C28 C29 H29A 119.5 ?
C30 C29 H29A 119.5 ?
C29 C30 C25 118.1(2) ?
C29 C30 P2 117.06(19) ?
C25 C30 P2 124.6(2) ?
C32 C31 C36 120.7(3) ?
C32 C31 H31A 119.6 ?
C36 C31 H31A 119.6 ?
C33 C32 C31 120.0(3) ?
C33 C32 H32A 120.0 ?
C31 C32 H32A 120.0 ?
C32 C33 C34 120.0(2) ?
C32 C33 H33A 120.0 ?
C34 C33 H33A 120.0 ?
C33 C34 C35 120.2(3) ?
C33 C34 H34A 119.9 ?
C35 C34 H34A 119.9 ?
C34 C35 C36 120.3(2) ?
C34 C35 H35A 119.9 ?
C36 C35 H35A 119.9 ?
C31 C36 C35 118.8(2) ?
C31 C36 P2 124.0(2) ?
C35 C36 P2 117.23(19) ?
C42 C37 C38 121.0(2) ?
C42 C37 H37A 119.5 ?
C38 C37 H37A 119.5 ?
C39 C38 C37 119.8(3) ?
C39 C38 H38A 120.1 ?
C37 C38 H38A 120.1 ?
C38 C39 C40 119.9(3) ?
C38 C39 H39A 120.0 ?
C40 C39 H39A 120.0 ?
C39 C40 C41 120.3(3) ?
C39 C40 H40A 119.8 ?
C41 C40 H40A 119.8 ?
C40 C41 C42 120.5(3) ?
C40 C41 H41A 119.8 ?
C42 C41 H41A 119.8 ?
C37 C42 C41 118.5(2) ?
C37 C42 P3 117.32(18) ?
C41 C42 P3 124.0(2) ?
C48 C43 C44 120.4(3) ?
C48 C43 H43A 119.8 ?
C44 C43 H43A 119.8 ?
C45 C44 C43 120.0(3) ?
C45 C44 H44A 120.0 ?
C43 C44 H44A 120.0 ?
C46 C45 C44 120.0(2) ?
C46 C45 H45A 120.0 ?
C44 C45 H45A 120.0 ?
C45 C46 C47 120.3(3) ?
C45 C46 H46A 119.8 ?
C47 C46 H46A 119.8 ?
C46 C47 C48 120.2(2) ?
C46 C47 H47A 119.9 ?
C48 C47 H47A 119.9 ?
C43 C48 C47 119.1(2) ?
C43 C48 P3 123.43(19) ?
C47 C48 P3 117.45(18) ?
C50 C49 C54 120.4(2) ?
C50 C49 H49A 119.8 ?
C54 C49 H49A 119.8 ?
C51 C50 C49 120.6(2) ?
C51 C50 H50A 119.7 ?
C49 C50 H50A 119.7 ?
C50 C51 C52 119.5(2) ?
C50 C51 H51A 120.2 ?
C52 C51 H51A 120.2 ?
C53 C52 C51 120.3(2) ?
C53 C52 H52A 119.9 ?
C51 C52 H52A 119.9 ?
C52 C53 C54 120.4(2) ?
C52 C53 H53A 119.8 ?
C54 C53 H53A 119.8 ?
C49 C54 C53 118.8(2) ?
C49 C54 P3 122.58(19) ?
C53 C54 P3 118.62(18) ?
C56 C55 C60 120.3(2) ?
C56 C55 H55A 119.9 ?
C60 C55 H55A 119.9 ?
C57 C56 C55 120.6(3) ?
C57 C56 H56A 119.7 ?
C55 C56 H56A 119.7 ?
C58 C57 C56 119.8(2) ?
C58 C57 H57A 120.1 ?
C56 C57 H57A 120.1 ?
C57 C58 C59 120.0(3) ?
C57 C58 H58A 120.0 ?
C59 C58 H58A 120.0 ?
C60 C59 C58 120.6(3) ?
C60 C59 H59A 119.7 ?
C58 C59 H59A 119.7 ?
C59 C60 C55 118.7(2) ?
C59 C60 P4 122.0(2) ?
C55 C60 P4 118.93(19) ?
C62 C61 C66 120.3(2) ?
C62 C61 H61A 119.8 ?
C66 C61 H61A 119.8 ?
C63 C62 C61 120.7(2) ?
C63 C62 H62A 119.6 ?
C61 C62 H62A 119.6 ?
C62 C63 C64 119.4(2) ?
C62 C63 H63A 120.3 ?
C64 C63 H63A 120.3 ?
C65 C64 C63 120.2(2) ?
C65 C64 H64A 119.9 ?
C63 C64 H64A 119.9 ?
C64 C65 C66 121.0(2) ?
C64 C65 H65A 119.5 ?
C66 C65 H65A 119.5 ?
C65 C66 C61 118.4(2) ?
C65 C66 P4 118.07(18) ?
C61 C66 P4 123.41(19) ?
C72 C67 C68 120.3(3) ?
C72 C67 H67A 119.9 ?
C68 C67 H67A 119.9 ?
C69 C68 C67 120.6(3) ?
C69 C68 H68A 119.7 ?
C67 C68 H68A 119.7 ?
C68 C69 C70 119.7(3) ?
C68 C69 H69A 120.1 ?
C70 C69 H69A 120.1 ?
C69 C70 C71 119.9(3) ?
C69 C70 H70A 120.0 ?
C71 C70 H70A 120.0 ?
C70 C71 C72 120.8(3) ?
C70 C71 H71A 119.6 ?
C72 C71 H71A 119.6 ?
C67 C72 C71 118.6(3) ?
C67 C72 P4 124.0(2) ?
C71 C72 P4 117.1(2) ?
C74 C73 C78 120.9(3) ?
C74 C73 H73A 119.5 ?
C78 C73 H73A 119.5 ?
C75 C74 C73 120.1(3) ?
C75 C74 H74A 119.9 ?
C73 C74 H74A 119.9 ?
C74 C75 C76 119.8(3) ?
C74 C75 H75A 120.1 ?
C76 C75 H75A 120.1 ?
C75 C76 C77 120.3(3) ?
C75 C76 H76A 119.8 ?
C77 C76 H76A 119.8 ?
C76 C77 C78 120.7(3) ?
C76 C77 H77A 119.6 ?
C78 C77 H77A 119.6 ?
C77 C78 C73 118.0(2) ?
C77 C78 P5 124.2(2) ?
C73 C78 P5 117.8(2) ?
C84 C79 C80 120.3(3) ?
C84 C79 H79A 119.8 ?
C80 C79 H79A 119.8 ?
C81 C80 C79 120.1(3) ?
C81 C80 H80A 119.9 ?
C79 C80 H80A 119.9 ?
C82 C81 C80 119.5(3) ?
C82 C81 H81A 120.2 ?
C80 C81 H81A 120.2 ?
C81 C82 C83 120.8(3) ?
C81 C82 H82A 119.6 ?
C83 C82 H82A 119.6 ?
C82 C83 C84 120.5(3) ?
C82 C83 H83A 119.7 ?
C84 C83 H83A 119.7 ?
C79 C84 C83 118.7(2) ?
C79 C84 P5 122.6(2) ?
C83 C84 P5 118.6(2) ?
C86 C85 C90 119.8(3) ?
C86 C85 H85A 120.1 ?
C90 C85 H85A 120.1 ?
C87 C86 C85 120.8(3) ?
C87 C86 H86A 119.6 ?
C85 C86 H86A 119.6 ?
C86 C87 C88 120.0(3) ?
C86 C87 H87A 120.0 ?
C88 C87 H87A 120.0 ?
C89 C88 C87 119.7(3) ?
C89 C88 H88A 120.2 ?
C87 C88 H88A 120.2 ?
C88 C89 C90 120.9(2) ?
C88 C89 H89A 119.5 ?
C90 C89 H89A 119.5 ?
C89 C90 C85 118.7(2) ?
C89 C90 P5 118.17(19) ?
C85 C90 P5 123.1(2) ?
C92 C91 C96 120.5(3) ?
C92 C91 H91A 119.7 ?
C96 C91 H91A 119.7 ?
C93 C92 C91 120.3(3) ?
C93 C92 H92A 119.9 ?
C91 C92 H92A 119.9 ?
C92 C93 C94 119.8(3) ?
C92 C93 H93A 120.1 ?
C94 C93 H93A 120.1 ?
C93 C94 C95 120.1(3) ?
C93 C94 H94A 120.0 ?
C95 C94 H94A 120.0 ?
C94 C95 C96 120.9(3) ?
C94 C95 H95A 119.5 ?
C96 C95 H95A 119.5 ?
C95 C96 C91 118.3(2) ?
C95 C96 P6 122.8(2) ?
C91 C96 P6 118.89(19) ?
C102 C97 C98 120.4(3) ?
C102 C97 H97A 119.8 ?
C98 C97 H97A 119.8 ?
C99 C98 C97 120.6(3) ?
C99 C98 H98A 119.7 ?
C97 C98 H98A 119.7 ?
C100 C99 C98 119.5(3) ?
C100 C99 H99A 120.3 ?
C98 C99 H99A 120.3 ?
C99 C100 C101 120.5(3) ?
C99 C100 H10B 119.8 ?
C101 C100 H10B 119.8 ?
C100 C101 C102 120.5(3) ?
C100 C101 H10C 119.7 ?
C102 C101 H10C 119.7 ?
C97 C102 C101 118.4(2) ?
C97 C102 P6 121.4(2) ?
C101 C102 P6 120.1(2) ?
C104 C103 C108 120.5(3) ?
C104 C103 H10D 119.8 ?
C108 C103 H10D 119.8 ?
C105 C104 C103 120.6(3) ?
C105 C104 H10E 119.7 ?
C103 C104 H10E 119.7 ?
C104 C105 C106 119.9(3) ?
C104 C105 H10F 120.0 ?
C106 C105 H10F 120.0 ?
C107 C106 C105 119.6(3) ?
C107 C106 H10G 120.2 ?
C105 C106 H10G 120.2 ?
C106 C107 C108 121.4(2) ?
C106 C107 H10H 119.3 ?
C108 C107 H10H 119.3 ?
C107 C108 C103 118.0(2) ?
C107 C108 P6 118.21(19) ?
C103 C108 P6 123.78(19) ?
C111 O1 C109 115.0(6) ?
O1 C109 C110 115.2(8) ?
O1 C109 H10I 108.5 ?
C110 C109 H10I 108.5 ?
O1 C109 H10J 108.5 ?
C110 C109 H10J 108.5 ?
H10I C109 H10J 107.5 ?
O1 C111 C112 107.0(7) ?
O1 C111 H11E 110.3 ?
C112 C111 H11E 110.3 ?
O1 C111 H11F 110.3 ?
C112 C111 H11F 110.3 ?
H11E C111 H11F 108.6 ?
C115 O2 C113 113.3(10) ?
O2 C113 C114 108.1(11) ?
O2 C113 H11J 110.1 ?
C114 C113 H11J 110.1 ?
O2 C113 H11K 110.1 ?
C114 C113 H11K 110.1 ?
H11J C113 H11K 108.4 ?
C113 C114 H11L 109.5 ?
C113 C114 H11M 109.5 ?
H11L C114 H11M 109.5 ?
C113 C114 H11N 109.5 ?
H11L C114 H11N 109.5 ?
H11M C114 H11N 109.5 ?
O2 C115 C116 108.2(11) ?
O2 C115 H11O 110.1 ?
C116 C115 H11O 110.1 ?
O2 C115 H11P 110.1 ?
C116 C115 H11P 110.1 ?
H11O C115 H11P 108.4 ?
C115 C116 H11Q 109.5 ?
C115 C116 H11R 109.5 ?
H11Q C116 H11R 109.5 ?
C115 C116 H11S 109.5 ?
H11Q C116 H11S 109.5 ?
H11R C116 H11S 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
I1 Ni1 2.6028(7) y
I2 Ni2 2.6041(8) y
Ni1 P3 2.2596(9) y
Ni1 P1 2.3054(9) y
Ni1 P2 2.3153(8) y
Ni2 P4 2.2800(9) y
Ni2 P6 2.2812(9) y
Ni2 P5 2.3276(8) y
P1 C18 1.831(2) ?
P1 C12 1.833(2) ?
P1 C6 1.839(2) ?
P2 C30 1.825(3) ?
P2 C24 1.833(3) ?
P2 C36 1.837(2) ?
P3 C48 1.831(2) ?
P3 C42 1.836(2) ?
P3 C54 1.836(2) ?
P4 C66 1.831(2) ?
P4 C60 1.831(3) ?
P4 C72 1.835(3) ?
P5 C90 1.832(3) ?
P5 C84 1.835(3) ?
P5 C78 1.837(3) ?
P6 C108 1.830(2) ?
P6 C102 1.835(3) ?
P6 C96 1.842(3) ?
C1 C2 1.386(3) ?
C1 C6 1.393(3) ?
C1 H1A 0.9500 ?
C2 C3 1.376(4) ?
C2 H2A 0.9500 ?
C3 C4 1.376(4) ?
C3 H3A 0.9500 ?
C4 C5 1.391(3) ?
C4 H4A 0.9500 ?
C5 C6 1.397(3) ?
C5 H5A 0.9500 ?
C7 C8 1.384(3) ?
C7 C12 1.388(3) ?
C7 H7A 0.9500 ?
C8 C9 1.384(4) ?
C8 H8A 0.9500 ?
C9 C10 1.368(4) ?
C9 H9A 0.9500 ?
C10 C11 1.389(4) ?
C10 H10A 0.9500 ?
C11 C12 1.386(3) ?
C11 H11A 0.9500 ?
C13 C14 1.382(3) ?
C13 C18 1.394(3) ?
C13 H13A 0.9500 ?
C14 C15 1.385(4) ?
C14 H14A 0.9500 ?
C15 C16 1.389(4) ?
C15 H15A 0.9500 ?
C16 C17 1.380(4) ?
C16 H16A 0.9500 ?
C17 C18 1.393(3) ?
C17 H17A 0.9500 ?
C19 C24 1.378(4) ?
C19 C20 1.391(4) ?
C19 H19A 0.9500 ?
C20 C21 1.369(4) ?
C20 H20A 0.9500 ?
C21 C22 1.382(4) ?
C21 H21A 0.9500 ?
C22 C23 1.383(4) ?
C22 H22A 0.9500 ?
C23 C24 1.395(4) ?
C23 H23A 0.9500 ?
C25 C26 1.384(4) ?
C25 C30 1.398(4) ?
C25 H25A 0.9500 ?
C26 C27 1.378(5) ?
C26 H26A 0.9500 ?
C27 C28 1.378(4) ?
C27 H27A 0.9500 ?
C28 C29 1.388(4) ?
C28 H28A 0.9500 ?
C29 C30 1.396(4) ?
C29 H29A 0.9500 ?
C31 C32 1.386(4) ?
C31 C36 1.388(3) ?
C31 H31A 0.9500 ?
C32 C33 1.378(4) ?
C32 H32A 0.9500 ?
C33 C34 1.384(4) ?
C33 H33A 0.9500 ?
C34 C35 1.385(4) ?
C34 H34A 0.9500 ?
C35 C36 1.397(3) ?
C35 H35A 0.9500 ?
C37 C42 1.385(3) ?
C37 C38 1.389(3) ?
C37 H37A 0.9500 ?
C38 C39 1.375(4) ?
C38 H38A 0.9500 ?
C39 C40 1.379(4) ?
C39 H39A 0.9500 ?
C40 C41 1.384(4) ?
C40 H40A 0.9500 ?
C41 C42 1.391(3) ?
C41 H41A 0.9500 ?
C43 C48 1.385(3) ?
C43 C44 1.396(4) ?
C43 H43A 0.9500 ?
C44 C45 1.381(4) ?
C44 H44A 0.9500 ?
C45 C46 1.377(4) ?
C45 H45A 0.9500 ?
C46 C47 1.389(3) ?
C46 H46A 0.9500 ?
C47 C48 1.397(3) ?
C47 H47A 0.9500 ?
C49 C50 1.383(4) ?
C49 C54 1.390(3) ?
C49 H49A 0.9500 ?
C50 C51 1.380(4) ?
C50 H50A 0.9500 ?
C51 C52 1.384(3) ?
C51 H51A 0.9500 ?
C52 C53 1.384(3) ?
C52 H52A 0.9500 ?
C53 C54 1.395(3) ?
C53 H53A 0.9500 ?
C55 C56 1.386(3) ?
C55 C60 1.394(3) ?
C55 H55A 0.9500 ?
C56 C57 1.380(4) ?
C56 H56A 0.9500 ?
C57 C58 1.379(4) ?
C57 H57A 0.9500 ?
C58 C59 1.396(4) ?
C58 H58A 0.9500 ?
C59 C60 1.392(3) ?
C59 H59A 0.9500 ?
C61 C62 1.383(4) ?
C61 C66 1.398(3) ?
C61 H61A 0.9500 ?
C62 C63 1.382(3) ?
C62 H62A 0.9500 ?
C63 C64 1.383(3) ?
C63 H63A 0.9500 ?
C64 C65 1.383(3) ?
C64 H64A 0.9500 ?
C65 C66 1.389(3) ?
C65 H65A 0.9500 ?
C67 C72 1.382(4) ?
C67 C68 1.394(4) ?
C67 H67A 0.9500 ?
C68 C69 1.375(5) ?
C68 H68A 0.9500 ?
C69 C70 1.378(5) ?
C69 H69A 0.9500 ?
C70 C71 1.389(4) ?
C70 H70A 0.9500 ?
C71 C72 1.395(4) ?
C71 H71A 0.9500 ?
C73 C74 1.387(4) ?
C73 C78 1.396(4) ?
C73 H73A 0.9500 ?
C74 C75 1.376(4) ?
C74 H74A 0.9500 ?
C75 C76 1.380(4) ?
C75 H75A 0.9500 ?
C76 C77 1.387(4) ?
C76 H76A 0.9500 ?
C77 C78 1.393(3) ?
C77 H77A 0.9500 ?
C79 C84 1.388(4) ?
C79 C80 1.398(4) ?
C79 H79A 0.9500 ?
C80 C81 1.382(4) ?
C80 H80A 0.9500 ?
C81 C82 1.374(4) ?
C81 H81A 0.9500 ?
C82 C83 1.383(4) ?
C82 H82A 0.9500 ?
C83 C84 1.392(4) ?
C83 H83A 0.9500 ?
C85 C86 1.392(4) ?
C85 C90 1.396(3) ?
C85 H85A 0.9500 ?
C86 C87 1.370(4) ?
C86 H86A 0.9500 ?
C87 C88 1.387(4) ?
C87 H87A 0.9500 ?
C88 C89 1.385(4) ?
C88 H88A 0.9500 ?
C89 C90 1.394(3) ?
C89 H89A 0.9500 ?
C91 C92 1.386(4) ?
C91 C96 1.399(4) ?
C91 H91A 0.9500 ?
C92 C93 1.379(4) ?
C92 H92A 0.9500 ?
C93 C94 1.383(4) ?
C93 H93A 0.9500 ?
C94 C95 1.384(4) ?
C94 H94A 0.9500 ?
C95 C96 1.391(3) ?
C95 H95A 0.9500 ?
C97 C102 1.383(4) ?
C97 C98 1.384(4) ?
C97 H97A 0.9500 ?
C98 C99 1.381(4) ?
C98 H98A 0.9500 ?
C99 C100 1.368(4) ?
C99 H99A 0.9500 ?
C100 C101 1.384(4) ?
C100 H10B 0.9500 ?
C101 C102 1.398(3) ?
C101 H10C 0.9500 ?
C103 C104 1.384(4) ?
C103 C108 1.403(3) ?
C103 H10D 0.9500 ?
C104 C105 1.373(4) ?
C104 H10E 0.9500 ?
C105 C106 1.387(4) ?
C105 H10F 0.9500 ?
C106 C107 1.385(4) ?
C106 H10G 0.9500 ?
C107 C108 1.391(3) ?
C107 H10H 0.9500 ?
O1 C111 1.394(7) ?
O1 C109 1.427(10) ?
C109 C110 1.474(12) ?
C109 H10I 0.9900 ?
C109 H10J 0.9900 ?
C110 H11B 0.9800 ?
C110 H11C 0.9800 ?
C110 H11D 0.9800 ?
C111 C112 1.556(13) ?
C111 H11E 0.9900 ?
C111 H11F 0.9900 ?
C112 H11G 0.9800 ?
C112 H11H 0.9800 ?
C112 H11I 0.9800 ?
O2 C115 1.423(15) ?
O2 C113 1.461(10) ?
C113 C114 1.486(18) ?
C113 H11J 0.9900 ?
C113 H11K 0.9900 ?
C114 H11L 0.9800 ?
C114 H11M 0.9800 ?
C114 H11N 0.9800 ?
C115 C116 1.537(18) ?
C115 H11O 0.9900 ?
C115 H11P 0.9900 ?
C116 H11Q 0.9800 ?
C116 H11R 0.9800 ?
C116 H11S 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
P3 Ni1 P1 C18 -81.40(9)
P2 Ni1 P1 C18 43.13(9)
I1 Ni1 P1 C18 169.64(9)
P3 Ni1 P1 C12 160.08(9)
P2 Ni1 P1 C12 -75.39(9)
I1 Ni1 P1 C12 51.13(9)
P3 Ni1 P1 C6 44.11(9)
P2 Ni1 P1 C6 168.64(9)
I1 Ni1 P1 C6 -64.84(9)
P3 Ni1 P2 C30 63.52(10)
P1 Ni1 P2 C30 -58.79(10)
I1 Ni1 P2 C30 171.05(10)
P3 Ni1 P2 C24 -175.54(9)
P1 Ni1 P2 C24 62.16(10)
I1 Ni1 P2 C24 -68.00(9)
P3 Ni1 P2 C36 -58.65(10)
P1 Ni1 P2 C36 179.04(9)
I1 Ni1 P2 C36 48.89(10)
P1 Ni1 P3 C48 161.25(9)
P2 Ni1 P3 C48 30.64(9)
I1 Ni1 P3 C48 -80.42(9)
P1 Ni1 P3 C42 38.30(9)
P2 Ni1 P3 C42 -92.31(9)
I1 Ni1 P3 C42 156.62(9)
P1 Ni1 P3 C54 -82.54(9)
P2 Ni1 P3 C54 146.86(9)
I1 Ni1 P3 C54 35.79(9)
P6 Ni2 P4 C66 -36.67(9)
P5 Ni2 P4 C66 92.15(9)
I2 Ni2 P4 C66 -149.13(9)
P6 Ni2 P4 C60 87.33(10)
P5 Ni2 P4 C60 -143.85(10)
I2 Ni2 P4 C60 -25.13(10)
P6 Ni2 P4 C72 -154.31(9)
P5 Ni2 P4 C72 -25.49(10)
I2 Ni2 P4 C72 93.22(9)
P4 Ni2 P5 C90 -179.07(9)
P6 Ni2 P5 C90 -53.63(9)
I2 Ni2 P5 C90 69.43(9)
P4 Ni2 P5 C84 62.28(10)
P6 Ni2 P5 C84 -172.28(10)
I2 Ni2 P5 C84 -49.22(10)
P4 Ni2 P5 C78 -59.82(10)
P6 Ni2 P5 C78 65.61(10)
I2 Ni2 P5 C78 -171.33(9)
P4 Ni2 P6 C108 70.35(9)
P5 Ni2 P6 C108 -60.14(10)
I2 Ni2 P6 C108 175.47(9)
P4 Ni2 P6 C102 -51.82(10)
P5 Ni2 P6 C102 177.68(9)
I2 Ni2 P6 C102 53.30(10)
P4 Ni2 P6 C96 -167.57(9)
P5 Ni2 P6 C96 61.93(9)
I2 Ni2 P6 C96 -62.45(9)
C6 C1 C2 C3 -0.6(4)
C1 C2 C3 C4 -0.3(4)
C2 C3 C4 C5 0.7(4)
C3 C4 C5 C6 -0.2(4)
C2 C1 C6 C5 1.0(4)
C2 C1 C6 P1 177.45(18)
C4 C5 C6 C1 -0.7(4)
C4 C5 C6 P1 -177.09(19)
C18 P1 C6 C1 54.1(2)
C12 P1 C6 C1 158.0(2)
Ni1 P1 C6 C1 -78.8(2)
C18 P1 C6 C5 -129.5(2)
C12 P1 C6 C5 -25.6(2)
Ni1 P1 C6 C5 97.54(19)
C12 C7 C8 C9 1.9(4)
C7 C8 C9 C10 -0.3(4)
C8 C9 C10 C11 -1.2(5)
C9 C10 C11 C12 1.0(5)
C10 C11 C12 C7 0.7(4)
C10 C11 C12 P1 175.4(2)
C8 C7 C12 C11 -2.1(4)
C8 C7 C12 P1 -177.01(19)
C18 P1 C12 C11 26.2(2)
C6 P1 C12 C11 -79.1(2)
Ni1 P1 C12 C11 154.5(2)
C18 P1 C12 C7 -159.1(2)
C6 P1 C12 C7 95.6(2)
Ni1 P1 C12 C7 -30.8(2)
C18 C13 C14 C15 -0.2(4)
C13 C14 C15 C16 -1.6(4)
C14 C15 C16 C17 1.8(4)
C15 C16 C17 C18 -0.2(4)
C16 C17 C18 C13 -1.6(4)
C16 C17 C18 P1 179.4(2)
C14 C13 C18 C17 1.8(4)
C14 C13 C18 P1 -179.3(2)
C12 P1 C18 C17 87.0(2)
C6 P1 C18 C17 -170.23(19)
Ni1 P1 C18 C17 -37.7(2)
C12 P1 C18 C13 -91.9(2)
C6 P1 C18 C13 10.9(2)
Ni1 P1 C18 C13 143.42(19)
C24 C19 C20 C21 -0.1(5)
C19 C20 C21 C22 0.1(5)
C20 C21 C22 C23 -0.6(5)
C21 C22 C23 C24 1.0(5)
C20 C19 C24 C23 0.5(4)
C20 C19 C24 P2 176.9(2)
C22 C23 C24 C19 -1.0(4)
C22 C23 C24 P2 -177.2(2)
C30 P2 C24 C19 120.7(2)
C36 P2 C24 C19 -133.2(2)
Ni1 P2 C24 C19 -5.5(2)
C30 P2 C24 C23 -63.1(3)
C36 P2 C24 C23 43.0(3)
Ni1 P2 C24 C23 170.6(2)
C30 C25 C26 C27 0.1(4)
C25 C26 C27 C28 -1.6(4)
C26 C27 C28 C29 1.3(4)
C27 C28 C29 C30 0.4(4)
C28 C29 C30 C25 -1.8(4)
C28 C29 C30 P2 173.0(2)
C26 C25 C30 C29 1.5(4)
C26 C25 C30 P2 -172.8(2)
C24 P2 C30 C29 178.7(2)
C36 P2 C30 C29 74.7(2)
Ni1 P2 C30 C29 -55.8(2)
C24 P2 C30 C25 -6.9(2)
C36 P2 C30 C25 -110.9(2)
Ni1 P2 C30 C25 118.6(2)
C36 C31 C32 C33 -1.1(4)
C31 C32 C33 C34 0.3(4)
C32 C33 C34 C35 0.8(4)
C33 C34 C35 C36 -0.9(4)
C32 C31 C36 C35 1.0(4)
C32 C31 C36 P2 -179.4(2)
C34 C35 C36 C31 0.1(4)
C34 C35 C36 P2 -179.6(2)
C30 P2 C36 C31 -10.7(2)
C24 P2 C36 C31 -118.8(2)
Ni1 P2 C36 C31 117.3(2)
C30 P2 C36 C35 169.00(19)
C24 P2 C36 C35 60.9(2)
Ni1 P2 C36 C35 -63.0(2)
C42 C37 C38 C39 0.2(4)
C37 C38 C39 C40 -1.2(4)
C38 C39 C40 C41 1.2(4)
C39 C40 C41 C42 -0.2(4)
C38 C37 C42 C41 0.8(4)
C38 C37 C42 P3 -175.0(2)
C40 C41 C42 C37 -0.8(4)
C40 C41 C42 P3 174.7(2)
C48 P3 C42 C37 -104.4(2)
C54 P3 C42 C37 150.95(19)
Ni1 P3 C42 C37 24.0(2)
C48 P3 C42 C41 80.0(2)
C54 P3 C42 C41 -24.6(2)
Ni1 P3 C42 C41 -151.50(19)
C48 C43 C44 C45 0.5(4)
C43 C44 C45 C46 0.0(4)
C44 C45 C46 C47 -0.8(4)
C45 C46 C47 C48 1.1(4)
C44 C43 C48 C47 -0.2(4)
C44 C43 C48 P3 -177.4(2)
C46 C47 C48 C43 -0.6(4)
C46 C47 C48 P3 176.77(19)
C42 P3 C48 C43 -5.0(2)
C54 P3 C48 C43 101.5(2)
Ni1 P3 C48 C43 -134.35(19)
C42 P3 C48 C47 177.73(19)
C54 P3 C48 C47 -75.8(2)
Ni1 P3 C48 C47 48.4(2)
C54 C49 C50 C51 0.0(4)
C49 C50 C51 C52 0.2(4)
C50 C51 C52 C53 -0.7(4)
C51 C52 C53 C54 1.0(4)
C50 C49 C54 C53 0.3(4)
C50 C49 C54 P3 178.5(2)
C52 C53 C54 C49 -0.8(4)
C52 C53 C54 P3 -179.02(18)
C48 P3 C54 C49 -21.0(2)
C42 P3 C54 C49 86.5(2)
Ni1 P3 C54 C49 -145.39(19)
C48 P3 C54 C53 157.19(19)
C42 P3 C54 C53 -95.3(2)
Ni1 P3 C54 C53 32.8(2)
C60 C55 C56 C57 -2.1(4)
C55 C56 C57 C58 0.7(4)
C56 C57 C58 C59 0.9(4)
C57 C58 C59 C60 -1.0(4)
C58 C59 C60 C55 -0.4(4)
C58 C59 C60 P4 172.2(2)
C56 C55 C60 C59 1.9(4)
C56 C55 C60 P4 -170.91(19)
C66 P4 C60 C59 -82.5(2)
C72 P4 C60 C59 24.8(2)
Ni2 P4 C60 C59 146.09(18)
C66 P4 C60 C55 90.0(2)
C72 P4 C60 C55 -162.6(2)
Ni2 P4 C60 C55 -41.4(2)
C66 C61 C62 C63 -0.4(4)
C61 C62 C63 C64 0.5(4)
C62 C63 C64 C65 0.1(4)
C63 C64 C65 C66 -0.7(4)
C64 C65 C66 C61 0.7(4)
C64 C65 C66 P4 176.79(19)
C62 C61 C66 C65 -0.2(4)
C62 C61 C66 P4 -176.0(2)
C60 P4 C66 C65 -174.49(19)
C72 P4 C66 C65 79.5(2)
Ni2 P4 C66 C65 -40.4(2)
C60 P4 C66 C61 1.4(2)
C72 P4 C66 C61 -104.7(2)
Ni2 P4 C66 C61 135.43(19)
C72 C67 C68 C69 -1.4(4)
C67 C68 C69 C70 0.5(5)
C68 C69 C70 C71 0.8(5)
C69 C70 C71 C72 -1.1(4)
C68 C67 C72 C71 1.1(4)
C68 C67 C72 P4 -173.5(2)
C70 C71 C72 C67 0.2(4)
C70 C71 C72 P4 175.1(2)
C66 P4 C72 C67 -10.3(2)
C60 P4 C72 C67 -114.9(2)
Ni2 P4 C72 C67 115.2(2)
C66 P4 C72 C71 175.0(2)
C60 P4 C72 C71 70.5(2)
Ni2 P4 C72 C71 -59.4(2)
C78 C73 C74 C75 0.4(4)
C73 C74 C75 C76 -2.0(4)
C74 C75 C76 C77 0.9(4)
C75 C76 C77 C78 1.9(4)
C76 C77 C78 C73 -3.4(4)
C76 C77 C78 P5 175.2(2)
C74 C73 C78 C77 2.2(4)
C74 C73 C78 P5 -176.4(2)
C90 P5 C78 C77 6.9(2)
C84 P5 C78 C77 111.7(2)
Ni2 P5 C78 C77 -119.2(2)
C90 P5 C78 C73 -174.5(2)
C84 P5 C78 C73 -69.7(2)
Ni2 P5 C78 C73 59.3(2)
C84 C79 C80 C81 1.2(5)
C79 C80 C81 C82 0.0(5)
C80 C81 C82 C83 -1.7(6)
C81 C82 C83 C84 2.1(5)
C80 C79 C84 C83 -0.8(4)
C80 C79 C84 P5 -176.9(2)
C82 C83 C84 C79 -0.8(4)
C82 C83 C84 P5 175.4(3)
C90 P5 C84 C79 96.5(2)
C78 P5 C84 C79 -8.4(3)
Ni2 P5 C84 C79 -137.7(2)
C90 P5 C84 C83 -79.6(2)
C78 P5 C84 C83 175.5(2)
Ni2 P5 C84 C83 46.1(2)
C90 C85 C86 C87 0.8(4)
C85 C86 C87 C88 0.6(4)
C86 C87 C88 C89 -1.2(4)
C87 C88 C89 C90 0.4(4)
C88 C89 C90 C85 0.9(4)
C88 C89 C90 P5 -179.01(19)
C86 C85 C90 C89 -1.5(4)
C86 C85 C90 P5 178.4(2)
C84 P5 C90 C89 -179.56(19)
C78 P5 C90 C89 -73.8(2)
Ni2 P5 C90 C89 53.7(2)
C84 P5 C90 C85 0.5(2)
C78 P5 C90 C85 106.3(2)
Ni2 P5 C90 C85 -126.25(19)
C96 C91 C92 C93 1.1(4)
C91 C92 C93 C94 0.4(4)
C92 C93 C94 C95 -1.1(4)
C93 C94 C95 C96 0.4(4)
C94 C95 C96 C91 1.1(4)
C94 C95 C96 P6 179.4(2)
C92 C91 C96 C95 -1.8(4)
C92 C91 C96 P6 179.8(2)
C108 P6 C96 C95 -13.5(2)
C102 P6 C96 C95 92.3(2)
Ni2 P6 C96 C95 -145.7(2)
C108 P6 C96 C91 164.9(2)
C102 P6 C96 C91 -89.4(2)
Ni2 P6 C96 C91 32.6(2)
C102 C97 C98 C99 0.4(5)
C97 C98 C99 C100 -1.4(6)
C98 C99 C100 C101 0.9(5)
C99 C100 C101 C102 0.6(4)
C98 C97 C102 C101 1.1(5)
C98 C97 C102 P6 176.0(3)
C100 C101 C102 C97 -1.6(4)
C100 C101 C102 P6 -176.6(2)
C108 P6 C102 C97 137.9(2)
C96 P6 C102 C97 32.9(3)
Ni2 P6 C102 C97 -90.0(2)
C108 P6 C102 C101 -47.2(2)
C96 P6 C102 C101 -152.3(2)
Ni2 P6 C102 C101 84.9(2)
C108 C103 C104 C105 0.8(4)
C103 C104 C105 C106 -0.4(4)
C104 C105 C106 C107 0.2(4)
C105 C106 C107 C108 -0.4(4)
C106 C107 C108 C103 0.8(4)
C106 C107 C108 P6 178.6(2)
C104 C103 C108 C107 -1.0(4)
C104 C103 C108 P6 -178.62(19)
C102 P6 C108 C107 158.25(19)
C96 P6 C108 C107 -96.6(2)
Ni2 P6 C108 C107 31.2(2)
C102 P6 C108 C103 -24.1(2)
C96 P6 C108 C103 81.0(2)
Ni2 P6 C108 C103 -151.15(18)
C111 O1 C109 C110 -72.7(11)
C109 O1 C111 C112 -174.0(8)
C115 O2 C113 C114 -174.2(14)
C113 O2 C115 C116 175.6(10)
