# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182

_publ_section_title              
;Nickeladihydrofuran. Key Intermediate for
Nickel-catalyzed Reaction of Alkyne and Aldehyde
;
_publ_contact_author_name        'Prof. Sensuke Ogoshi'
_publ_contact_author_email       OGOSHI@CHEM.ENG.OSAKA-U.AC.JP
loop_
_publ_author_name
'Sensuke Ogoshi'
'Tomoya Arai'
'Hideo Kurosawa'
'Masato Ohashi'

# Attachment '1.cif'

# Attachment 'CIF(revised).cif'

data_a
_database_code_depnum_ccdc_archive 'CCDC 667080'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C58 H90 Ni2 O2 P2, C5 H12, C4 H8 O'
_chemical_formula_sum            'C67 H110 Ni2 O3 P2'
_chemical_formula_weight         1142.91

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   49.179(3)
_cell_length_b                   13.9696(8)
_cell_length_c                   20.1131(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 110.2380(15)
_cell_angle_gamma                90.00
_cell_volume                     12964.8(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    34795
_cell_measurement_theta_min      3.05
_cell_measurement_theta_max      27.46

_exptl_crystal_description       platelet
_exptl_crystal_colour            black
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.80
_exptl_crystal_size_min          0.40
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4976
_exptl_absorpt_coefficient_mu    0.672
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.55
_exptl_absorpt_correction_T_max  0.77
_exptl_absorpt_process_details   
;
Higashi, T. (1999). Abscor - Empirical Absorption Correction based on
Fourier Series Approximation. Rigaku Corporation, Tokyo, Japan.
;
_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_detector       'imaging plate'
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 10.00
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            56067
_diffrn_reflns_av_R_equivalents  0.0746
_diffrn_reflns_av_sigmaI/netI    0.0712
_diffrn_reflns_limit_h_min       -63
_diffrn_reflns_limit_h_max       63
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.11
_diffrn_reflns_theta_max         27.49
_reflns_number_total             14670
_reflns_number_gt                9292
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Rigaku/RAPID Diffractometer Control'
_computing_cell_refinement       'Rigaku/RAPID Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1999)'
_computing_structure_solution    'PATTY (Bueskens, et al., 1994)'
_computing_publication_material  'SHELXL-97 and modified'
_computing_molecular_graphics    'Ortep-3 (Louis J. Farrugia, 1999)'
# Carroll K. Johnson and M. N. Burnett, ORNL-6895, ORTEP-III(version 1.0.2),
# A FORTRAN Thermal-Ellipsoid Plot Program, Oak Ridge National Labratory,
# Oak Ridge, Tennessee.
# Ortep-3 for Windows, Version 1.05 Louis J. Farrugia,

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
Non-Hydrogen atoms except for solvates were anisotropically refined, and
H-atoms bound to the solvates were not included in the refinements.
In the final least-square cycle, 24 restraints were applied for the
refinement of solvents: the DFIX and DANG instructions (total 20
restraints) were used for the disordered (and poorly-defined) THF molecule
(with occupancies of 0.67/0.33). The rest 4 restraints, two DFIX and
two DANG instructions, were applied for the refinement of one of the
pentane molecules.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0951P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         14670
_refine_ls_number_parameters     663
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0898
_refine_ls_R_factor_gt           0.0585
_refine_ls_wR_factor_ref         0.1712
_refine_ls_wR_factor_gt          0.1472
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_restrained_S_all      0.959
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.622145(8) 0.38339(2) 0.063516(18) 0.04148(12) Uani 1 1 d . . .
Ni2 Ni 0.633582(9) 0.21721(3) -0.010017(18) 0.04329(12) Uani 1 1 d . . .
P1 P 0.579746(17) 0.45419(5) 0.04014(4) 0.04162(18) Uani 1 1 d . . .
P2 P 0.651766(19) 0.21612(6) -0.09621(4) 0.04556(19) Uani 1 1 d . A .
O1 O 0.65438(5) 0.32020(15) 0.05476(11) 0.0541(5) Uani 1 1 d . . .
O2 O 0.60772(5) 0.25286(13) 0.03653(10) 0.0466(5) Uani 1 1 d . . .
C1 C 0.64831(7) 0.4877(2) 0.10129(15) 0.0499(7) Uani 1 1 d . . .
C2 C 0.67545(8) 0.4654(2) 0.10679(16) 0.0537(8) Uani 1 1 d . . .
C3 C 0.68151(7) 0.3671(2) 0.08607(15) 0.0504(7) Uani 1 1 d . . .
H3 H 0.6912 0.3720 0.0511 0.060 Uiso 1 1 calc R . .
C4 C 0.61308(8) 0.0987(2) -0.02650(16) 0.0512(8) Uani 1 1 d . . .
C5 C 0.59594(8) 0.0909(2) 0.01202(15) 0.0516(8) Uani 1 1 d . . .
C6 C 0.59261(7) 0.1771(2) 0.05434(15) 0.0468(7) Uani 1 1 d . . .
H6 H 0.5720 0.1942 0.0389 0.056 Uiso 1 1 calc R . .
C7 C 0.70098(7) 0.3110(2) 0.15109(17) 0.0568(8) Uani 1 1 d . . .
C8 C 0.69375(9) 0.3064(3) 0.21099(19) 0.0716(10) Uani 1 1 d . . .
H8 H 0.6768 0.3351 0.2114 0.086 Uiso 1 1 calc R . .
C9 C 0.71156(11) 0.2593(4) 0.2709(2) 0.0905(14) Uani 1 1 d . . .
H9 H 0.7064 0.2577 0.3113 0.109 Uiso 1 1 calc R . .
C10 C 0.73633(12) 0.2156(4) 0.2720(3) 0.1005(16) Uani 1 1 d . . .
H10 H 0.7478 0.1826 0.3120 0.121 Uiso 1 1 calc R . .
C11 C 0.74409(10) 0.2212(4) 0.2123(3) 0.0995(16) Uani 1 1 d . . .
H11 H 0.7612 0.1929 0.2124 0.119 Uiso 1 1 calc R . .
C12 C 0.72644(9) 0.2686(3) 0.1525(2) 0.0776(11) Uani 1 1 d . . .
H12 H 0.7319 0.2719 0.1126 0.093 Uiso 1 1 calc R . .
C13 C 0.70204(9) 0.5284(3) 0.1376(2) 0.0758(11) Uani 1 1 d . . .
H13A H 0.7168 0.5083 0.1195 0.114 Uiso 1 1 calc R . .
H13B H 0.7092 0.5228 0.1883 0.114 Uiso 1 1 calc R . .
H13C H 0.6970 0.5938 0.1246 0.114 Uiso 1 1 calc R . .
C14 C 0.64264(8) 0.5840(2) 0.12989(18) 0.0605(9) Uani 1 1 d . . .
H14A H 0.6261 0.5787 0.1446 0.091 Uiso 1 1 calc R . .
H14B H 0.6390 0.6316 0.0934 0.091 Uiso 1 1 calc R . .
H14C H 0.6593 0.6022 0.1696 0.091 Uiso 1 1 calc R . .
C15 C 0.60323(8) 0.1583(2) 0.13421(16) 0.0555(8) Uani 1 1 d . . .
C16 C 0.58373(10) 0.1358(2) 0.1682(2) 0.0713(11) Uani 1 1 d . . .
H16 H 0.5641 0.1293 0.1420 0.086 Uiso 1 1 calc R . .
C17 C 0.59363(14) 0.1229(3) 0.2415(3) 0.0919(16) Uani 1 1 d . . .
H17 H 0.5805 0.1086 0.2642 0.110 Uiso 1 1 calc R . .
C18 C 0.62207(15) 0.1309(4) 0.2796(2) 0.109(2) Uani 1 1 d . . .
H18 H 0.6285 0.1225 0.3284 0.130 Uiso 1 1 calc R . .
C19 C 0.64129(13) 0.1511(4) 0.2475(2) 0.1171(19) Uani 1 1 d . . .
H19 H 0.6609 0.1558 0.2744 0.141 Uiso 1 1 calc R . .
C20 C 0.63194(10) 0.1652(3) 0.17360(19) 0.0844(13) Uani 1 1 d . . .
H20 H 0.6453 0.1791 0.1518 0.101 Uiso 1 1 calc R . .
C21 C 0.57920(9) 0.0027(2) 0.0185(2) 0.0725(11) Uani 1 1 d . . .
H21A H 0.5686 0.0160 0.0494 0.109 Uiso 1 1 calc R . .
H21B H 0.5925 -0.0491 0.0376 0.109 Uiso 1 1 calc R . .
H21C H 0.5660 -0.0149 -0.0274 0.109 Uiso 1 1 calc R . .
C22 C 0.61634(9) 0.0134(2) -0.0693(2) 0.0702(10) Uani 1 1 d . . .
H22A H 0.6363 0.0062 -0.0646 0.105 Uiso 1 1 calc R . .
H22B H 0.6049 0.0231 -0.1183 0.105 Uiso 1 1 calc R . .
H22C H 0.6098 -0.0433 -0.0523 0.105 Uiso 1 1 calc R . .
C23 C 0.55254(6) 0.3809(2) -0.02803(14) 0.0434(6) Uani 1 1 d . . .
H23 H 0.5561 0.3156 -0.0092 0.052 Uiso 1 1 calc R . .
C24 C 0.55773(7) 0.3747(2) -0.09934(14) 0.0493(7) Uani 1 1 d . . .
H24A H 0.5522 0.4347 -0.1248 0.059 Uiso 1 1 calc R . .
H24B H 0.5781 0.3638 -0.0908 0.059 Uiso 1 1 calc R . .
C25 C 0.53995(7) 0.2934(3) -0.14359(17) 0.0589(8) Uani 1 1 d . . .
H25A H 0.5427 0.2919 -0.1891 0.071 Uiso 1 1 calc R . .
H25B H 0.5468 0.2331 -0.1198 0.071 Uiso 1 1 calc R . .
C26 C 0.50796(8) 0.3038(3) -0.15550(17) 0.0624(9) Uani 1 1 d . . .
H26A H 0.4977 0.2483 -0.1811 0.075 Uiso 1 1 calc R . .
H26B H 0.5005 0.3599 -0.1845 0.075 Uiso 1 1 calc R . .
C27 C 0.50231(8) 0.3133(3) -0.08629(17) 0.0609(9) Uani 1 1 d . . .
H27A H 0.5075 0.2542 -0.0596 0.073 Uiso 1 1 calc R . .
H27B H 0.4818 0.3249 -0.0960 0.073 Uiso 1 1 calc R . .
C28 C 0.52016(7) 0.3965(2) -0.04251(16) 0.0546(8) Uani 1 1 d . . .
H28A H 0.5140 0.4561 -0.0681 0.066 Uiso 1 1 calc R . .
H28B H 0.5168 0.4012 0.0021 0.066 Uiso 1 1 calc R . .
C29 C 0.56306(7) 0.4605(2) 0.11055(14) 0.0464(7) Uani 1 1 d . . .
H29 H 0.5440 0.4903 0.0893 0.056 Uiso 1 1 calc R . .
C30 C 0.55818(9) 0.3604(2) 0.13506(17) 0.0602(9) Uani 1 1 d . . .
H30A H 0.5475 0.3221 0.0941 0.072 Uiso 1 1 calc R . .
H30B H 0.5768 0.3299 0.1582 0.072 Uiso 1 1 calc R . .
C31 C 0.54141(9) 0.3636(3) 0.18603(18) 0.0696(11) Uani 1 1 d . . .
H31A H 0.5222 0.3891 0.1618 0.084 Uiso 1 1 calc R . .
H31B H 0.5393 0.2992 0.2017 0.084 Uiso 1 1 calc R . .
C32 C 0.55704(9) 0.4258(3) 0.24990(17) 0.0689(10) Uani 1 1 d . . .
H32A H 0.5452 0.4320 0.2794 0.083 Uiso 1 1 calc R . .
H32B H 0.5751 0.3953 0.2778 0.083 Uiso 1 1 calc R . .
C33 C 0.56329(9) 0.5240(3) 0.22731(17) 0.0647(10) Uani 1 1 d . . .
H33A H 0.5747 0.5600 0.2689 0.078 Uiso 1 1 calc R . .
H33B H 0.5452 0.5578 0.2053 0.078 Uiso 1 1 calc R . .
C34 C 0.57967(8) 0.5193(2) 0.17539(15) 0.0557(8) Uani 1 1 d . . .
H34A H 0.5826 0.5836 0.1609 0.067 Uiso 1 1 calc R . .
H34B H 0.5986 0.4908 0.1986 0.067 Uiso 1 1 calc R . .
C35 C 0.57691(7) 0.5792(2) 0.00674(15) 0.0487(7) Uani 1 1 d . . .
H35 H 0.5861 0.6185 0.0489 0.058 Uiso 1 1 calc R . .
C36 C 0.54651(8) 0.6203(2) -0.02700(18) 0.0600(9) Uani 1 1 d . . .
H36A H 0.5356 0.6102 0.0044 0.072 Uiso 1 1 calc R . .
H36B H 0.5366 0.5871 -0.0711 0.072 Uiso 1 1 calc R . .
C37 C 0.54759(11) 0.7277(3) -0.0416(2) 0.0789(12) Uani 1 1 d . . .
H37A H 0.5281 0.7515 -0.0649 0.095 Uiso 1 1 calc R . .
H37B H 0.5559 0.7617 0.0029 0.095 Uiso 1 1 calc R . .
C38 C 0.56566(10) 0.7468(3) -0.0885(2) 0.0758(12) Uani 1 1 d . . .
H38A H 0.5559 0.7198 -0.1351 0.091 Uiso 1 1 calc R . .
H38B H 0.5673 0.8153 -0.0939 0.091 Uiso 1 1 calc R . .
C39 C 0.59561(10) 0.7041(3) -0.0577(2) 0.0728(11) Uani 1 1 d . . .
H39A H 0.6064 0.7379 -0.0145 0.087 Uiso 1 1 calc R . .
H39B H 0.6057 0.7126 -0.0910 0.087 Uiso 1 1 calc R . .
C40 C 0.59473(8) 0.5977(2) -0.04130(17) 0.0549(8) Uani 1 1 d . . .
H40A H 0.6143 0.5744 -0.0182 0.066 Uiso 1 1 calc R . .
H40B H 0.5863 0.5625 -0.0852 0.066 Uiso 1 1 calc R . .
C41 C 0.66329(7) 0.3419(2) -0.10385(16) 0.0515(7) Uani 1 1 d . . .
H41 H 0.6747 0.3611 -0.0553 0.062 Uiso 1 1 calc R . .
C42 C 0.63735(8) 0.4094(2) -0.12657(19) 0.0593(8) Uani 1 1 d . . .
H42A H 0.6259 0.3994 -0.0964 0.071 Uiso 1 1 calc R . .
H42B H 0.6252 0.3947 -0.1749 0.071 Uiso 1 1 calc R . .
C43 C 0.64670(9) 0.5141(3) -0.1221(2) 0.0704(10) Uani 1 1 d . . .
H43A H 0.6296 0.5543 -0.1401 0.084 Uiso 1 1 calc R . .
H43B H 0.6567 0.5310 -0.0729 0.084 Uiso 1 1 calc R . .
C44 C 0.66642(9) 0.5337(3) -0.1639(2) 0.0722(10) Uani 1 1 d . . .
H44A H 0.6731 0.5995 -0.1564 0.087 Uiso 1 1 calc R . .
H44B H 0.6557 0.5253 -0.2140 0.087 Uiso 1 1 calc R . .
C45 C 0.69231(9) 0.4671(3) -0.1416(2) 0.0740(11) Uani 1 1 d . . .
H45A H 0.7043 0.4812 -0.0932 0.089 Uiso 1 1 calc R . .
H45B H 0.7038 0.4780 -0.1716 0.089 Uiso 1 1 calc R . .
C46 C 0.68299(8) 0.3620(3) -0.14713(19) 0.0640(9) Uani 1 1 d . . .
H46A H 0.7001 0.3217 -0.1300 0.077 Uiso 1 1 calc R . .
H46B H 0.6727 0.3460 -0.1964 0.077 Uiso 1 1 calc R . .
C47 C 0.62600(7) 0.1776(2) -0.18412(14) 0.0479(7) Uani 1 1 d . . .
H47 H 0.6269 0.1076 -0.1831 0.058 Uiso 1 1 calc R . .
C48 C 0.63306(9) 0.2065(3) -0.25018(16) 0.0617(9) Uani 1 1 d . . .
H48A H 0.6528 0.1883 -0.2442 0.074 Uiso 1 1 calc R . .
H48B H 0.6314 0.2754 -0.2565 0.074 Uiso 1 1 calc R . .
C49 C 0.61178(9) 0.1560(3) -0.31611(17) 0.0733(11) Uani 1 1 d . . .
H49A H 0.6157 0.1768 -0.3579 0.088 Uiso 1 1 calc R . .
H49B H 0.6150 0.0874 -0.3114 0.088 Uiso 1 1 calc R . .
C50 C 0.58085(9) 0.1768(3) -0.32576(18) 0.0744(11) Uani 1 1 d . . .
H50A H 0.5684 0.1402 -0.3656 0.089 Uiso 1 1 calc R . .
H50B H 0.5770 0.2442 -0.3366 0.089 Uiso 1 1 calc R . .
C51 C 0.57378(8) 0.1520(3) -0.25955(19) 0.0687(10) Uani 1 1 d . . .
H51A H 0.5541 0.1717 -0.2662 0.082 Uiso 1 1 calc R . .
H51B H 0.5750 0.0832 -0.2525 0.082 Uiso 1 1 calc R . .
C52 C 0.59455(7) 0.2012(2) -0.19435(16) 0.0560(8) Uani 1 1 d . . .
H52A H 0.5903 0.1810 -0.1528 0.067 Uiso 1 1 calc R . .
H52B H 0.5917 0.2699 -0.1992 0.067 Uiso 1 1 calc R . .
C53 C 0.68515(9) 0.1463(3) -0.0860(2) 0.0730(11) Uani 1 1 d . . .
H53A H 0.6932 0.1770 -0.1190 0.088 Uiso 0.678(12) 1 calc PR A 1
H53B H 0.6778 0.0883 -0.0705 0.088 Uiso 0.322(12) 1 calc PR A 2
C54 C 0.70757(9) 0.1642(3) -0.0144(2) 0.0757(11) Uani 1 1 d . A .
H54A H 0.7011 0.1362 0.0217 0.091 Uiso 0.678(12) 1 calc PR A 1
H54B H 0.7095 0.2327 -0.0060 0.091 Uiso 0.678(12) 1 calc PR A 1
H54C H 0.6979 0.1774 0.0193 0.091 Uiso 0.322(12) 1 calc PR A 2
H54D H 0.7188 0.2204 -0.0169 0.091 Uiso 0.322(12) 1 calc PR A 2
C56 C 0.73621(12) 0.0245(5) -0.0312(3) 0.129(2) Uani 1 1 d . . .
H56A H 0.7315 -0.0169 0.0019 0.155 Uiso 0.678(12) 1 calc PR A 1
H56B H 0.7552 0.0061 -0.0316 0.155 Uiso 0.678(12) 1 calc PR A 1
H56C H 0.7419 -0.0383 -0.0105 0.155 Uiso 0.322(12) 1 calc PR A 2
H56D H 0.7532 0.0535 -0.0366 0.155 Uiso 0.322(12) 1 calc PR A 2
C57 C 0.71433(11) 0.0106(4) -0.1036(3) 0.1084(18) Uani 1 1 d . A .
H57A H 0.7136 -0.0565 -0.1165 0.130 Uiso 0.678(12) 1 calc PR A 1
H57B H 0.7200 0.0470 -0.1378 0.130 Uiso 0.678(12) 1 calc PR A 1
H57C H 0.7027 -0.0449 -0.1023 0.130 Uiso 0.322(12) 1 calc PR A 2
H57D H 0.7246 -0.0042 -0.1358 0.130 Uiso 0.322(12) 1 calc PR A 2
C55A C 0.73720(18) 0.1221(7) -0.0079(5) 0.091(3) Uani 0.678(12) 1 d P A 1
H55A H 0.7457 0.1612 -0.0354 0.109 Uiso 0.678(12) 1 calc PR A 1
H55B H 0.7498 0.1257 0.0413 0.109 Uiso 0.678(12) 1 calc PR A 1
C58A C 0.68332(16) 0.0446(5) -0.1057(4) 0.084(3) Uani 0.678(12) 1 d P A 1
H58A H 0.6692 0.0357 -0.1528 0.100 Uiso 0.678(12) 1 calc PR A 1
H58B H 0.6772 0.0071 -0.0727 0.100 Uiso 0.678(12) 1 calc PR A 1
C55B C 0.7291(4) 0.0750(15) 0.0134(8) 0.081(5) Uani 0.322(12) 1 d P A 2
H55C H 0.7468 0.0992 0.0481 0.097 Uiso 0.322(12) 1 calc PR A 2
H55D H 0.7204 0.0323 0.0383 0.097 Uiso 0.322(12) 1 calc PR A 2
C58B C 0.6928(3) 0.0991(13) -0.1363(7) 0.082(6) Uani 0.322(12) 1 d P A 2
H58C H 0.7022 0.1436 -0.1585 0.099 Uiso 0.322(12) 1 calc PR A 2
H58D H 0.6754 0.0754 -0.1727 0.099 Uiso 0.322(12) 1 calc PR A 2
C61 C 0.7369(4) 0.7520(14) 0.0073(11) 0.337(9) Uiso 1 1 d . . .
C62 C 0.7056(5) 0.7307(13) -0.0216(9) 0.336(8) Uiso 1 1 d . . .
C63 C 0.6810(6) 0.7539(17) -0.0101(13) 0.237(10) Uiso 0.50 1 d P . .
C64 C 0.5000 -0.007(3) -0.2500 0.52(2) Uiso 1 2 d SD . .
C65 C 0.5013(5) -0.0426(16) -0.1801(8) 0.436(11) Uiso 1 1 d D . .
C66 C 0.4972(6) 0.0018(19) -0.1112(12) 0.553(16) Uiso 1 1 d D . .
O71 O 0.6695(5) 0.0391(19) -0.3804(12) 0.392(12) Uiso 0.666(12) 1 d PD B 3
C72 C 0.6946(7) -0.0153(17) -0.3271(18) 0.341(14) Uiso 0.666(12) 1 d PD B 3
C73 C 0.7177(5) 0.063(2) -0.311(2) 0.46(3) Uiso 0.666(12) 1 d PD B 3
C74 C 0.6943(5) 0.1406(14) -0.3175(11) 0.252(9) Uiso 0.666(12) 1 d PD B 3
C75 C 0.6788(5) 0.1326(18) -0.3949(12) 0.321(13) Uiso 0.666(12) 1 d PD B 3
O81 O 0.7219(5) 0.0371(18) -0.3533(13) 0.261(14) Uiso 0.334(12) 1 d PD B 4
C82 C 0.6952(6) 0.0456(17) -0.4148(10) 0.154(10) Uiso 0.334(12) 1 d PD B 4
C83 C 0.6819(7) -0.023(2) -0.3754(15) 0.206(14) Uiso 0.334(12) 1 d PD B 4
C84 C 0.6837(6) 0.045(2) -0.3101(13) 0.180(12) Uiso 0.334(12) 1 d PD B 4
C85 C 0.7154(5) 0.0637(19) -0.2901(12) 0.172(13) Uiso 0.334(12) 1 d PD B 4

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ni1 0.0481(2) 0.0392(2) 0.0365(2) -0.00303(14) 0.01383(16) -0.00108(16)
Ni2 0.0543(3) 0.0387(2) 0.0385(2) -0.00096(14) 0.01821(17) 0.00030(16)
P1 0.0505(5) 0.0406(4) 0.0350(4) -0.0015(3) 0.0163(3) 0.0019(3)
P2 0.0510(5) 0.0482(4) 0.0385(4) -0.0008(3) 0.0167(3) 0.0043(3)
O1 0.0481(13) 0.0562(13) 0.0562(12) -0.0150(10) 0.0157(10) -0.0006(10)
O2 0.0610(14) 0.0354(10) 0.0495(11) -0.0024(9) 0.0268(10) -0.0032(9)
C1 0.058(2) 0.0476(17) 0.0432(15) -0.0047(13) 0.0161(14) -0.0067(15)
C2 0.059(2) 0.0559(19) 0.0441(16) -0.0009(13) 0.0156(15) -0.0058(16)
C3 0.0457(18) 0.0597(19) 0.0450(16) -0.0068(13) 0.0148(13) -0.0046(14)
C4 0.067(2) 0.0391(16) 0.0480(16) -0.0010(12) 0.0211(15) 0.0002(14)
C5 0.070(2) 0.0402(15) 0.0439(16) 0.0021(12) 0.0183(15) -0.0053(15)
C6 0.0554(19) 0.0394(15) 0.0487(16) 0.0021(12) 0.0222(14) -0.0021(13)
C7 0.051(2) 0.063(2) 0.0525(18) -0.0066(15) 0.0120(15) 0.0008(16)
C8 0.070(3) 0.083(3) 0.062(2) 0.0090(19) 0.0233(19) 0.017(2)
C9 0.090(4) 0.120(4) 0.059(2) 0.013(2) 0.023(2) 0.022(3)
C10 0.099(4) 0.115(4) 0.073(3) 0.015(3) 0.011(3) 0.027(3)
C11 0.069(3) 0.125(4) 0.090(3) -0.001(3) 0.009(3) 0.036(3)
C12 0.062(3) 0.099(3) 0.067(2) -0.008(2) 0.017(2) 0.014(2)
C13 0.062(3) 0.075(3) 0.084(3) -0.014(2) 0.018(2) -0.020(2)
C14 0.064(2) 0.0533(19) 0.060(2) -0.0124(15) 0.0169(17) -0.0074(17)
C15 0.082(3) 0.0421(16) 0.0498(17) 0.0023(13) 0.0318(17) -0.0018(16)
C16 0.104(3) 0.053(2) 0.072(2) 0.0064(17) 0.049(2) -0.003(2)
C17 0.161(5) 0.063(2) 0.080(3) 0.009(2) 0.078(3) -0.009(3)
C18 0.178(6) 0.096(4) 0.055(2) 0.010(2) 0.044(3) -0.041(4)
C19 0.128(5) 0.149(5) 0.055(2) 0.022(3) 0.008(3) -0.035(4)
C20 0.095(3) 0.101(3) 0.053(2) 0.016(2) 0.020(2) -0.021(3)
C21 0.100(3) 0.050(2) 0.076(2) -0.0059(17) 0.041(2) -0.018(2)
C22 0.104(3) 0.0432(18) 0.077(2) -0.0101(17) 0.049(2) -0.0084(19)
C23 0.0488(18) 0.0445(15) 0.0364(14) -0.0027(11) 0.0142(12) 0.0019(13)
C24 0.0531(19) 0.0612(19) 0.0358(14) -0.0058(13) 0.0180(13) 0.0002(15)
C25 0.056(2) 0.074(2) 0.0462(17) -0.0158(15) 0.0171(15) 0.0014(17)
C26 0.053(2) 0.080(2) 0.0510(18) -0.0174(17) 0.0135(15) -0.0042(17)
C27 0.051(2) 0.077(2) 0.0552(19) -0.0151(17) 0.0191(15) -0.0090(17)
C28 0.051(2) 0.069(2) 0.0451(16) -0.0099(14) 0.0186(14) 0.0009(16)
C29 0.060(2) 0.0440(16) 0.0382(14) -0.0021(12) 0.0212(13) 0.0027(14)
C30 0.092(3) 0.0475(18) 0.0483(17) -0.0028(14) 0.0328(18) -0.0049(17)
C31 0.102(3) 0.063(2) 0.058(2) -0.0048(16) 0.045(2) -0.016(2)
C32 0.092(3) 0.079(2) 0.0419(17) -0.0033(16) 0.0304(18) -0.006(2)
C33 0.084(3) 0.072(2) 0.0435(17) -0.0177(16) 0.0283(17) -0.0081(19)
C34 0.071(2) 0.0547(19) 0.0439(16) -0.0049(14) 0.0234(15) -0.0004(16)
C35 0.062(2) 0.0450(16) 0.0416(15) -0.0007(12) 0.0206(14) 0.0027(14)
C36 0.068(2) 0.0546(19) 0.059(2) 0.0062(15) 0.0240(17) 0.0138(17)
C37 0.109(4) 0.054(2) 0.078(3) 0.0056(18) 0.038(2) 0.022(2)
C38 0.120(4) 0.0439(18) 0.066(2) 0.0090(16) 0.034(2) 0.007(2)
C39 0.106(3) 0.054(2) 0.070(2) 0.0049(17) 0.046(2) -0.008(2)
C40 0.071(2) 0.0472(17) 0.0530(18) 0.0041(14) 0.0302(16) 0.0021(16)
C41 0.058(2) 0.0524(18) 0.0447(16) -0.0014(13) 0.0184(14) -0.0033(15)
C42 0.067(2) 0.0507(18) 0.069(2) -0.0007(15) 0.0337(18) -0.0010(16)
C43 0.090(3) 0.054(2) 0.077(2) 0.0025(17) 0.042(2) -0.0013(19)
C44 0.082(3) 0.063(2) 0.076(2) 0.0089(18) 0.032(2) -0.013(2)
C45 0.068(3) 0.082(3) 0.077(2) 0.007(2) 0.030(2) -0.014(2)
C46 0.058(2) 0.073(2) 0.066(2) 0.0052(17) 0.0290(18) 0.0000(18)
C47 0.0572(19) 0.0455(16) 0.0393(14) -0.0022(12) 0.0144(13) 0.0044(14)
C48 0.074(3) 0.068(2) 0.0424(17) -0.0036(15) 0.0194(16) -0.0022(18)
C49 0.094(3) 0.080(3) 0.0429(18) -0.0116(17) 0.0199(19) -0.003(2)
C50 0.089(3) 0.068(2) 0.0492(19) -0.0106(17) 0.0028(19) 0.007(2)
C51 0.061(2) 0.059(2) 0.075(2) -0.0159(18) 0.0097(18) 0.0052(18)
C52 0.058(2) 0.0564(19) 0.0505(18) -0.0079(14) 0.0154(15) 0.0040(16)
C53 0.069(3) 0.079(3) 0.065(2) -0.0082(19) 0.0165(19) 0.022(2)
C54 0.064(3) 0.086(3) 0.068(2) -0.009(2) 0.0110(19) 0.014(2)
C56 0.092(4) 0.154(6) 0.115(4) -0.028(4) 0.003(3) 0.061(4)
C57 0.095(4) 0.113(4) 0.102(3) -0.028(3) 0.015(3) 0.052(3)
C55A 0.065(5) 0.095(6) 0.097(6) -0.003(4) 0.009(4) 0.019(4)
C58A 0.082(5) 0.070(4) 0.085(5) -0.012(3) 0.012(4) 0.019(4)
C55B 0.072(10) 0.100(13) 0.064(8) 0.011(8) 0.014(7) 0.020(9)
C58B 0.092(11) 0.093(12) 0.073(8) 0.006(7) 0.041(7) 0.054(9)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 O1 1.875(2) . ?
Ni1 C1 1.918(3) . ?
Ni1 O2 1.9638(19) . ?
Ni1 P1 2.2065(9) . ?
Ni1 Ni2 2.9101(5) . ?
Ni2 O2 1.888(2) . ?
Ni2 C4 1.907(3) . ?
Ni2 O1 1.973(2) . ?
Ni2 P2 2.2086(8) . ?
P1 C23 1.857(3) . ?
P1 C35 1.859(3) . ?
P1 C29 1.868(3) . ?
P2 C53 1.859(4) . ?
P2 C47 1.863(3) . ?
P2 C41 1.869(3) . ?
O1 C3 1.423(4) . ?
O2 C6 1.409(3) . ?
C1 C2 1.337(5) . ?
C1 C14 1.526(4) . ?
C2 C3 1.495(4) . ?
C2 C13 1.519(5) . ?
C3 C7 1.541(4) . ?
C3 H3 0.9800 . ?
C4 C5 1.332(4) . ?
C4 C22 1.511(4) . ?
C5 C21 1.513(4) . ?
C5 C6 1.516(4) . ?
C6 C15 1.530(4) . ?
C6 H6 0.9800 . ?
C7 C8 1.371(5) . ?
C7 C12 1.376(5) . ?
C8 C9 1.386(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.356(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.381(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.385(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
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 C20 1.362(5) . ?
C15 C16 1.393(5) . ?
C16 C17 1.395(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.347(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.345(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.410(5) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C28 1.532(4) . ?
C23 C24 1.544(4) . ?
C23 H23 0.9800 . ?
C24 C25 1.520(4) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.514(5) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.517(4) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.537(4) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C34 1.518(4) . ?
C29 C30 1.530(4) . ?
C29 H29 0.9800 . ?
C30 C31 1.522(4) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C32 1.521(5) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.510(5) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.525(4) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.525(5) . ?
C35 C40 1.534(4) . ?
C35 H35 0.9800 . ?
C36 C37 1.533(4) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.526(6) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C39 1.509(6) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.527(4) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.524(5) . ?
C41 C46 1.535(4) . ?
C41 H41 0.9800 . ?
C42 C43 1.526(5) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.511(5) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.514(6) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C46 1.530(5) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C47 C52 1.524(5) . ?
C47 C48 1.539(4) . ?
C47 H47 0.9800 . ?
C48 C49 1.547(5) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 C50 1.494(5) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C50 C51 1.528(5) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C51 C52 1.520(4) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C58B 1.364(11) . ?
C53 C58A 1.470(7) . ?
C53 C54 1.501(5) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C54 C55A 1.535(9) . ?
C54 C55B 1.606(17) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C54 H54C 0.9700 . ?
C54 H54D 0.9700 . ?
C56 C55B 1.282(16) . ?
C56 C55A 1.437(10) . ?
C56 C57 1.494(6) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C56 H56C 0.9700 . ?
C56 H56D 0.9700 . ?
C57 C58A 1.584(8) . ?
C57 C58B 1.614(14) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C57 H57C 0.9700 . ?
C57 H57D 0.9700 . ?
C55A H55A 0.9700 . ?
C55A H55B 0.9700 . ?
C58A H58A 0.9700 . ?
C58A H58B 0.9700 . ?
C55B H55C 0.9700 . ?
C55B H55D 0.9700 . ?
C58B H58C 0.9700 . ?
C58B H58D 0.9700 . ?
C61 C61 1.42(3) 7_665 ?
C61 C62 1.48(2) . ?
C62 C63 1.35(3) . ?
C64 C65 1.470(15) 2_654 ?
C64 C65 1.470(15) . ?
C65 C66 1.594(17) . ?
O71 C75 1.447(16) . ?
O71 C72 1.530(17) . ?
C72 C73 1.531(19) . ?
C73 C74 1.548(19) . ?
C74 C75 1.484(16) . ?
O81 C85 1.461(18) . ?
O81 C82 1.465(17) . ?
C82 C83 1.529(18) . ?
C83 C84 1.600(18) . ?
C84 C85 1.494(17) . ?

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
_geom_angle_publ_flag
O1 Ni1 C1 85.51(12) . . ?
O1 Ni1 O2 76.88(9) . . ?
C1 Ni1 O2 160.63(12) . . ?
O1 Ni1 P1 163.38(7) . . ?
C1 Ni1 P1 101.48(10) . . ?
O2 Ni1 P1 97.64(7) . . ?
O1 Ni1 Ni2 42.14(6) . . ?
C1 Ni1 Ni2 125.88(10) . . ?
O2 Ni1 Ni2 39.97(6) . . ?
P1 Ni1 Ni2 125.72(2) . . ?
O2 Ni2 C4 84.78(11) . . ?
O2 Ni2 O1 76.37(9) . . ?
C4 Ni2 O1 150.48(11) . . ?
O2 Ni2 P2 156.35(7) . . ?
C4 Ni2 P2 101.00(9) . . ?
O1 Ni2 P2 105.38(7) . . ?
O2 Ni2 Ni1 41.92(6) . . ?
C4 Ni2 Ni1 126.69(10) . . ?
O1 Ni2 Ni1 39.62(6) . . ?
P2 Ni2 Ni1 127.32(3) . . ?
C23 P1 C35 107.81(14) . . ?
C23 P1 C29 101.11(13) . . ?
C35 P1 C29 103.39(13) . . ?
C23 P1 Ni1 107.27(10) . . ?
C35 P1 Ni1 116.44(11) . . ?
C29 P1 Ni1 119.35(10) . . ?
C53 P2 C47 103.78(15) . . ?
C53 P2 C41 102.75(18) . . ?
C47 P2 C41 108.62(14) . . ?
C53 P2 Ni2 119.94(13) . . ?
C47 P2 Ni2 114.82(10) . . ?
C41 P2 Ni2 105.95(10) . . ?
C3 O1 Ni1 115.83(18) . . ?
C3 O1 Ni2 145.13(19) . . ?
Ni1 O1 Ni2 98.25(10) . . ?
C6 O2 Ni2 115.67(17) . . ?
C6 O2 Ni1 143.03(17) . . ?
Ni2 O2 Ni1 98.12(9) . . ?
C2 C1 C14 118.8(3) . . ?
C2 C1 Ni1 111.7(2) . . ?
C14 C1 Ni1 129.3(2) . . ?
C1 C2 C3 118.7(3) . . ?
C1 C2 C13 126.4(3) . . ?
C3 C2 C13 114.8(3) . . ?
O1 C3 C2 107.4(3) . . ?
O1 C3 C7 110.7(3) . . ?
C2 C3 C7 110.8(3) . . ?
O1 C3 H3 109.3 . . ?
C2 C3 H3 109.3 . . ?
C7 C3 H3 109.3 . . ?
C5 C4 C22 118.7(3) . . ?
C5 C4 Ni2 111.9(2) . . ?
C22 C4 Ni2 129.0(2) . . ?
C4 C5 C21 126.1(3) . . ?
C4 C5 C6 118.3(3) . . ?
C21 C5 C6 115.6(3) . . ?
O2 C6 C5 106.6(2) . . ?
O2 C6 C15 112.2(3) . . ?
C5 C6 C15 112.9(2) . . ?
O2 C6 H6 108.4 . . ?
C5 C6 H6 108.4 . . ?
C15 C6 H6 108.4 . . ?
C8 C7 C12 118.2(3) . . ?
C8 C7 C3 119.7(3) . . ?
C12 C7 C3 122.0(3) . . ?
C7 C8 C9 120.6(4) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 H8 119.7 . . ?
C10 C9 C8 121.4(4) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C11 118.5(4) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
C10 C11 C12 120.2(4) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 121.1(4) . . ?
C7 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C2 C13 H13A 109.5 . . ?
C2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C1 C14 H14A 109.5 . . ?
C1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 118.8(3) . . ?
C20 C15 C6 120.5(3) . . ?
C16 C15 C6 120.7(3) . . ?
C15 C16 C17 120.0(4) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C18 C17 C16 120.2(4) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C19 C18 C17 120.6(4) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C20 120.5(5) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C15 C20 C19 119.8(4) . . ?
C15 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C5 C21 H21A 109.5 . . ?
C5 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C5 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C4 C22 H22A 109.5 . . ?
C4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C28 C23 C24 109.1(2) . . ?
C28 C23 P1 119.9(2) . . ?
C24 C23 P1 114.1(2) . . ?
C28 C23 H23 103.9 . . ?
C24 C23 H23 103.9 . . ?
P1 C23 H23 103.9 . . ?
C25 C24 C23 109.8(3) . . ?
C25 C24 H24A 109.7 . . ?
C23 C24 H24A 109.7 . . ?
C25 C24 H24B 109.7 . . ?
C23 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
C26 C25 C24 112.1(3) . . ?
C26 C25 H25A 109.2 . . ?
C24 C25 H25A 109.2 . . ?
C26 C25 H25B 109.2 . . ?
C24 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C25 C26 C27 111.9(3) . . ?
C25 C26 H26A 109.2 . . ?
C27 C26 H26A 109.2 . . ?
C25 C26 H26B 109.2 . . ?
C27 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C26 C27 C28 110.0(3) . . ?
C26 C27 H27A 109.7 . . ?
C28 C27 H27A 109.7 . . ?
C26 C27 H27B 109.7 . . ?
C28 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C23 C28 C27 110.6(3) . . ?
C23 C28 H28A 109.5 . . ?
C27 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 108.1 . . ?
C34 C29 C30 108.4(2) . . ?
C34 C29 P1 115.5(2) . . ?
C30 C29 P1 111.09(19) . . ?
C34 C29 H29 107.2 . . ?
C30 C29 H29 107.2 . . ?
P1 C29 H29 107.2 . . ?
C31 C30 C29 111.8(3) . . ?
C31 C30 H30A 109.2 . . ?
C29 C30 H30A 109.2 . . ?
C31 C30 H30B 109.2 . . ?
C29 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
C32 C31 C30 110.6(3) . . ?
C32 C31 H31A 109.5 . . ?
C30 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 108.1 . . ?
C33 C32 C31 111.2(3) . . ?
C33 C32 H32A 109.4 . . ?
C31 C32 H32A 109.4 . . ?
C33 C32 H32B 109.4 . . ?
C31 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
C32 C33 C34 112.2(3) . . ?
C32 C33 H33A 109.2 . . ?
C34 C33 H33A 109.2 . . ?
C32 C33 H33B 109.2 . . ?
C34 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
C29 C34 C33 110.9(3) . . ?
C29 C34 H34A 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 108.0 . . ?
C36 C35 C40 110.0(3) . . ?
C36 C35 P1 117.0(2) . . ?
C40 C35 P1 113.4(2) . . ?
C36 C35 H35 105.0 . . ?
C40 C35 H35 105.0 . . ?
P1 C35 H35 105.0 . . ?
C35 C36 C37 111.1(3) . . ?
C35 C36 H36A 109.4 . . ?
C37 C36 H36A 109.4 . . ?
C35 C36 H36B 109.4 . . ?
C37 C36 H36B 109.4 . . ?
H36A C36 H36B 108.0 . . ?
C38 C37 C36 110.8(3) . . ?
C38 C37 H37A 109.5 . . ?
C36 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 108.1 . . ?
C39 C38 C37 111.8(3) . . ?
C39 C38 H38A 109.3 . . ?
C37 C38 H38A 109.2 . . ?
C39 C38 H38B 109.2 . . ?
C37 C38 H38B 109.2 . . ?
H38A C38 H38B 107.9 . . ?
C38 C39 C40 112.1(3) . . ?
C38 C39 H39A 109.2 . . ?
C40 C39 H39A 109.2 . . ?
C38 C39 H39B 109.2 . . ?
C40 C39 H39B 109.2 . . ?
H39A C39 H39B 107.9 . . ?
C39 C40 C35 111.4(3) . . ?
C39 C40 H40A 109.3 . . ?
C35 C40 H40A 109.3 . . ?
C39 C40 H40B 109.3 . . ?
C35 C40 H40B 109.3 . . ?
H40A C40 H40B 108.0 . . ?
C42 C41 C46 110.1(3) . . ?
C42 C41 P2 111.1(2) . . ?
C46 C41 P2 119.2(2) . . ?
C42 C41 H41 105.1 . . ?
C46 C41 H41 105.1 . . ?
P2 C41 H41 105.1 . . ?
C41 C42 C43 111.8(3) . . ?
C41 C42 H42A 109.3 . . ?
C43 C42 H42A 109.3 . . ?
C41 C42 H42B 109.3 . . ?
C43 C42 H42B 109.3 . . ?
H42A C42 H42B 107.9 . . ?
C44 C43 C42 112.3(3) . . ?
C44 C43 H43A 109.1 . . ?
C42 C43 H43A 109.1 . . ?
C44 C43 H43B 109.1 . . ?
C42 C43 H43B 109.1 . . ?
H43A C43 H43B 107.9 . . ?
C43 C44 C45 111.1(3) . . ?
C43 C44 H44A 109.4 . . ?
C45 C44 H44A 109.4 . . ?
C43 C44 H44B 109.4 . . ?
C45 C44 H44B 109.4 . . ?
H44A C44 H44B 108.0 . . ?
C44 C45 C46 111.6(3) . . ?
C44 C45 H45A 109.3 . . ?
C46 C45 H45A 109.3 . . ?
C44 C45 H45B 109.3 . . ?
C46 C45 H45B 109.3 . . ?
H45A C45 H45B 108.0 . . ?
C45 C46 C41 111.5(3) . . ?
C45 C46 H46A 109.3 . . ?
C41 C46 H46A 109.3 . . ?
C45 C46 H46B 109.3 . . ?
C41 C46 H46B 109.3 . . ?
H46A C46 H46B 108.0 . . ?
C52 C47 C48 110.4(3) . . ?
C52 C47 P2 113.0(2) . . ?
C48 C47 P2 117.5(2) . . ?
C52 C47 H47 104.9 . . ?
C48 C47 H47 104.9 . . ?
P2 C47 H47 104.9 . . ?
C47 C48 C49 109.4(3) . . ?
C47 C48 H48A 109.8 . . ?
C49 C48 H48A 109.8 . . ?
C47 C48 H48B 109.8 . . ?
C49 C48 H48B 109.8 . . ?
H48A C48 H48B 108.2 . . ?
C50 C49 C48 112.3(3) . . ?
C50 C49 H49A 109.1 . . ?
C48 C49 H49A 109.1 . . ?
C50 C49 H49B 109.1 . . ?
C48 C49 H49B 109.1 . . ?
H49A C49 H49B 107.9 . . ?
C49 C50 C51 111.8(3) . . ?
C49 C50 H50A 109.3 . . ?
C51 C50 H50A 109.3 . . ?
C49 C50 H50B 109.3 . . ?
C51 C50 H50B 109.3 . . ?
H50A C50 H50B 107.9 . . ?
C52 C51 C50 111.2(3) . . ?
C52 C51 H51A 109.4 . . ?
C50 C51 H51A 109.4 . . ?
C52 C51 H51B 109.4 . . ?
C50 C51 H51B 109.4 . . ?
H51A C51 H51B 108.0 . . ?
C51 C52 C47 111.5(3) . . ?
C51 C52 H52A 109.3 . . ?
C47 C52 H52A 109.3 . . ?
C51 C52 H52B 109.3 . . ?
C47 C52 H52B 109.3 . . ?
H52A C52 H52B 108.0 . . ?
C58B C53 C58A 48.7(7) . . ?
C58B C53 C54 119.6(7) . . ?
C58A C53 C54 112.0(4) . . ?
C58B C53 P2 129.1(6) . . ?
C58A C53 P2 120.5(4) . . ?
C54 C53 P2 110.2(2) . . ?
C58B C53 H53A 55.3 . . ?
C58A C53 H53A 104.1 . . ?
C54 C53 H53A 104.1 . . ?
P2 C53 H53A 104.1 . . ?
C58B C53 H53B 93.5 . . ?
C54 C53 H53B 93.5 . . ?
P2 C53 H53B 93.5 . . ?
H53A C53 H53B 148.7 . . ?
C53 C54 C55A 112.2(4) . . ?
C53 C54 C55B 112.4(7) . . ?
C53 C54 H54A 109.2 . . ?
C55A C54 H54A 109.2 . . ?
C55B C54 H54A 76.9 . . ?
C53 C54 H54B 109.2 . . ?
C55A C54 H54B 109.2 . . ?
C55B C54 H54B 133.6 . . ?
H54A C54 H54B 107.9 . . ?
C53 C54 H54C 109.1 . . ?
C55A C54 H54C 133.9 . . ?
C55B C54 H54C 109.1 . . ?
H54B C54 H54C 74.6 . . ?
C53 C54 H54D 109.1 . . ?
C55A C54 H54D 77.0 . . ?
C55B C54 H54D 109.1 . . ?
H54A C54 H54D 134.8 . . ?
H54C C54 H54D 107.8 . . ?
C55B C56 C57 118.4(8) . . ?
C55A C56 C57 112.0(5) . . ?
C55B C56 H56A 70.0 . . ?
C55A C56 H56A 109.2 . . ?
C57 C56 H56A 109.2 . . ?
C55B C56 H56B 130.3 . . ?
C55A C56 H56B 109.2 . . ?
C57 C56 H56B 109.2 . . ?
H56A C56 H56B 107.9 . . ?
C55B C56 H56C 107.7 . . ?
C55A C56 H56C 138.2 . . ?
C57 C56 H56C 107.7 . . ?
H56B C56 H56C 68.2 . . ?
C55B C56 H56D 107.7 . . ?
C55A C56 H56D 73.0 . . ?
C57 C56 H56D 107.7 . . ?
H56A C56 H56D 138.4 . . ?
H56C C56 H56D 107.1 . . ?
C56 C57 C58A 110.4(4) . . ?
C56 C57 C58B 116.6(6) . . ?
C56 C57 H57A 109.6 . . ?
C58A C57 H57A 109.6 . . ?
C58B C57 H57A 132.3 . . ?
C56 C57 H57B 109.6 . . ?
C58A C57 H57B 109.6 . . ?
C58B C57 H57B 67.6 . . ?
H57A C57 H57B 108.1 . . ?
C56 C57 H57C 108.1 . . ?
C58A C57 H57C 70.5 . . ?
C58B C57 H57C 108.1 . . ?
H57B C57 H57C 139.1 . . ?
C56 C57 H57D 108.1 . . ?
C58A C57 H57D 139.9 . . ?
C58B C57 H57D 108.1 . . ?
H57A C57 H57D 66.2 . . ?
H57B C57 H57D 45.3 . . ?
H57C C57 H57D 107.3 . . ?
C56 C55A C54 114.3(7) . . ?
C56 C55A H55A 108.7 . . ?
C54 C55A H55A 108.7 . . ?
C56 C55A H55B 108.7 . . ?
C54 C55A H55B 108.7 . . ?
H55A C55A H55B 107.6 . . ?
C53 C58A C57 108.3(6) . . ?
C53 C58A H58A 110.0 . . ?
C57 C58A H58A 110.0 . . ?
C53 C58A H58B 110.0 . . ?
C57 C58A H58B 110.0 . . ?
H58A C58A H58B 108.4 . . ?
C56 C55B C54 119.3(11) . . ?
C56 C55B H55C 107.5 . . ?
C54 C55B H55C 107.5 . . ?
C56 C55B H55D 107.5 . . ?
C54 C55B H55D 107.5 . . ?
H55C C55B H55D 107.0 . . ?
C53 C58B C57 112.2(10) . . ?
C53 C58B H58C 109.2 . . ?
C57 C58B H58C 109.2 . . ?
C53 C58B H58D 109.2 . . ?
C57 C58B H58D 109.2 . . ?
H58C C58B H58D 107.9 . . ?
C61 C61 C62 144(3) 7_665 . ?
C63 C62 C61 139(2) . . ?
C65 C64 C65 141(4) 2_654 . ?
C64 C65 C66 136(3) . . ?
C75 O71 C72 110.8(15) . . ?
O71 C72 C73 98.9(15) . . ?
C72 C73 C74 90.5(17) . . ?
C75 C74 C73 97.9(17) . . ?
O71 C75 C74 86.5(14) . . ?
C85 O81 C82 108.1(16) . . ?
O81 C82 C83 86.0(16) . . ?
C82 C83 C84 98.0(16) . . ?
C85 C84 C83 94.6(15) . . ?
O81 C85 C84 104.1(15) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Ni1 Ni2 O2 142.41(14) . . . . ?
C1 Ni1 Ni2 O2 161.73(15) . . . . ?
P1 Ni1 Ni2 O2 -52.92(10) . . . . ?
O1 Ni1 Ni2 C4 143.29(16) . . . . ?
C1 Ni1 Ni2 C4 162.61(16) . . . . ?
O2 Ni1 Ni2 C4 0.89(15) . . . . ?
P1 Ni1 Ni2 C4 -52.03(12) . . . . ?
C1 Ni1 Ni2 O1 19.32(15) . . . . ?
O2 Ni1 Ni2 O1 -142.41(14) . . . . ?
P1 Ni1 Ni2 O1 164.68(11) . . . . ?
O1 Ni1 Ni2 P2 -66.55(11) . . . . ?
C1 Ni1 Ni2 P2 -47.23(12) . . . . ?
O2 Ni1 Ni2 P2 151.04(10) . . . . ?
P1 Ni1 Ni2 P2 98.12(4) . . . . ?
O1 Ni1 P1 C23 44.0(3) . . . . ?
C1 Ni1 P1 C23 157.61(13) . . . . ?
O2 Ni1 P1 C23 -25.49(11) . . . . ?
Ni2 Ni1 P1 C23 5.64(10) . . . . ?
O1 Ni1 P1 C35 -76.9(3) . . . . ?
C1 Ni1 P1 C35 36.78(14) . . . . ?
O2 Ni1 P1 C35 -146.31(12) . . . . ?
Ni2 Ni1 P1 C35 -115.18(10) . . . . ?
O1 Ni1 P1 C29 157.9(3) . . . . ?
C1 Ni1 P1 C29 -88.42(14) . . . . ?
O2 Ni1 P1 C29 88.49(12) . . . . ?
Ni2 Ni1 P1 C29 119.62(11) . . . . ?
O2 Ni2 P2 C53 177.0(2) . . . . ?
C4 Ni2 P2 C53 -80.68(19) . . . . ?
O1 Ni2 P2 C53 85.95(17) . . . . ?
Ni1 Ni2 P2 C53 123.31(16) . . . . ?
O2 Ni2 P2 C47 -58.3(2) . . . . ?
C4 Ni2 P2 C47 44.01(15) . . . . ?
O1 Ni2 P2 C47 -149.36(13) . . . . ?
Ni1 Ni2 P2 C47 -112.00(11) . . . . ?
O2 Ni2 P2 C41 61.6(2) . . . . ?
C4 Ni2 P2 C41 163.88(15) . . . . ?
O1 Ni2 P2 C41 -29.49(13) . . . . ?
Ni1 Ni2 P2 C41 7.87(12) . . . . ?
C1 Ni1 O1 C3 8.0(2) . . . . ?
O2 Ni1 O1 C3 -163.9(2) . . . . ?
P1 Ni1 O1 C3 123.8(2) . . . . ?
Ni2 Ni1 O1 C3 172.4(3) . . . . ?
C1 Ni1 O1 Ni2 -164.40(12) . . . . ?
O2 Ni1 O1 Ni2 23.73(9) . . . . ?
P1 Ni1 O1 Ni2 -48.6(3) . . . . ?
O2 Ni2 O1 C3 167.3(4) . . . . ?
C4 Ni2 O1 C3 115.5(4) . . . . ?
P2 Ni2 O1 C3 -37.1(3) . . . . ?
Ni1 Ni2 O1 C3 -167.9(4) . . . . ?
O2 Ni2 O1 Ni1 -24.79(9) . . . . ?
C4 Ni2 O1 Ni1 -76.6(3) . . . . ?
P2 Ni2 O1 Ni1 130.83(7) . . . . ?
C4 Ni2 O2 C6 16.1(2) . . . . ?
O1 Ni2 O2 C6 -141.0(2) . . . . ?
P2 Ni2 O2 C6 121.7(2) . . . . ?
Ni1 Ni2 O2 C6 -164.6(2) . . . . ?
C4 Ni2 O2 Ni1 -179.29(12) . . . . ?
O1 Ni2 O2 Ni1 23.60(9) . . . . ?
P2 Ni2 O2 Ni1 -73.69(19) . . . . ?
O1 Ni1 O2 C6 131.7(3) . . . . ?
C1 Ni1 O2 C6 106.5(4) . . . . ?
P1 Ni1 O2 C6 -64.3(3) . . . . ?
Ni2 Ni1 O2 C6 156.5(4) . . . . ?
O1 Ni1 O2 Ni2 -24.85(9) . . . . ?
C1 Ni1 O2 Ni2 -50.0(3) . . . . ?
P1 Ni1 O2 Ni2 139.19(7) . . . . ?
O1 Ni1 C1 C2 -3.3(2) . . . . ?
O2 Ni1 C1 C2 21.2(5) . . . . ?
P1 Ni1 C1 C2 -168.1(2) . . . . ?
Ni2 Ni1 C1 C2 -16.2(3) . . . . ?
O1 Ni1 C1 C14 -177.8(3) . . . . ?
O2 Ni1 C1 C14 -153.3(3) . . . . ?
P1 Ni1 C1 C14 17.4(3) . . . . ?
Ni2 Ni1 C1 C14 169.3(2) . . . . ?
C14 C1 C2 C3 173.4(3) . . . . ?
Ni1 C1 C2 C3 -1.7(4) . . . . ?
C14 C1 C2 C13 -1.7(5) . . . . ?
Ni1 C1 C2 C13 -176.9(3) . . . . ?
Ni1 O1 C3 C2 -10.1(3) . . . . ?
Ni2 O1 C3 C2 156.7(3) . . . . ?
Ni1 O1 C3 C7 111.1(2) . . . . ?
Ni2 O1 C3 C7 -82.2(4) . . . . ?
C1 C2 C3 O1 7.6(4) . . . . ?
C13 C2 C3 O1 -176.7(3) . . . . ?
C1 C2 C3 C7 -113.5(3) . . . . ?
C13 C2 C3 C7 62.2(4) . . . . ?
O2 Ni2 C4 C5 -12.2(2) . . . . ?
O1 Ni2 C4 C5 37.8(4) . . . . ?
P2 Ni2 C4 C5 -169.1(2) . . . . ?
Ni1 Ni2 C4 C5 -12.8(3) . . . . ?
O2 Ni2 C4 C22 174.9(3) . . . . ?
O1 Ni2 C4 C22 -135.0(3) . . . . ?
P2 Ni2 C4 C22 18.1(3) . . . . ?
Ni1 Ni2 C4 C22 174.3(3) . . . . ?
C22 C4 C5 C21 1.0(5) . . . . ?
Ni2 C4 C5 C21 -172.7(3) . . . . ?
C22 C4 C5 C6 -179.5(3) . . . . ?
Ni2 C4 C5 C6 6.8(4) . . . . ?
Ni2 O2 C6 C5 -15.3(3) . . . . ?
Ni1 O2 C6 C5 -169.3(2) . . . . ?
Ni2 O2 C6 C15 108.7(2) . . . . ?
Ni1 O2 C6 C15 -45.3(5) . . . . ?
C4 C5 C6 O2 5.2(4) . . . . ?
C21 C5 C6 O2 -175.2(3) . . . . ?
C4 C5 C6 C15 -118.4(3) . . . . ?
C21 C5 C6 C15 61.2(4) . . . . ?
O1 C3 C7 C8 -68.6(4) . . . . ?
C2 C3 C7 C8 50.5(4) . . . . ?
O1 C3 C7 C12 114.7(4) . . . . ?
C2 C3 C7 C12 -126.2(4) . . . . ?
C12 C7 C8 C9 -0.7(6) . . . . ?
C3 C7 C8 C9 -177.5(4) . . . . ?
C7 C8 C9 C10 -0.9(8) . . . . ?
C8 C9 C10 C11 1.9(8) . . . . ?
C9 C10 C11 C12 -1.5(8) . . . . ?
C8 C7 C12 C11 1.1(6) . . . . ?
C3 C7 C12 C11 177.9(4) . . . . ?
C10 C11 C12 C7 0.0(8) . . . . ?
O2 C6 C15 C20 -38.1(4) . . . . ?
C5 C6 C15 C20 82.3(4) . . . . ?
O2 C6 C15 C16 140.6(3) . . . . ?
C5 C6 C15 C16 -98.9(4) . . . . ?
C20 C15 C16 C17 1.5(5) . . . . ?
C6 C15 C16 C17 -177.3(3) . . . . ?
C15 C16 C17 C18 -0.9(6) . . . . ?
C16 C17 C18 C19 -0.3(8) . . . . ?
C17 C18 C19 C20 0.7(9) . . . . ?
C16 C15 C20 C19 -1.1(6) . . . . ?
C6 C15 C20 C19 177.7(4) . . . . ?
C18 C19 C20 C15 0.0(8) . . . . ?
C35 P1 C23 C28 -68.9(3) . . . . ?
C29 P1 C23 C28 39.2(3) . . . . ?
Ni1 P1 C23 C28 165.0(2) . . . . ?
C35 P1 C23 C24 63.2(2) . . . . ?
C29 P1 C23 C24 171.3(2) . . . . ?
Ni1 P1 C23 C24 -63.0(2) . . . . ?
C28 C23 C24 C25 -58.4(3) . . . . ?
P1 C23 C24 C25 164.5(2) . . . . ?
C23 C24 C25 C26 56.4(4) . . . . ?
C24 C25 C26 C27 -55.0(4) . . . . ?
C25 C26 C27 C28 54.8(4) . . . . ?
C24 C23 C28 C27 59.8(3) . . . . ?
P1 C23 C28 C27 -166.0(2) . . . . ?
C26 C27 C28 C23 -57.9(4) . . . . ?
C23 P1 C29 C34 -178.3(2) . . . . ?
C35 P1 C29 C34 -66.8(3) . . . . ?
Ni1 P1 C29 C34 64.4(2) . . . . ?
C23 P1 C29 C30 57.7(3) . . . . ?
C35 P1 C29 C30 169.3(2) . . . . ?
Ni1 P1 C29 C30 -59.5(3) . . . . ?
C34 C29 C30 C31 58.8(4) . . . . ?
P1 C29 C30 C31 -173.3(3) . . . . ?
C29 C30 C31 C32 -57.1(4) . . . . ?
C30 C31 C32 C33 53.7(5) . . . . ?
C31 C32 C33 C34 -54.0(4) . . . . ?
C30 C29 C34 C33 -57.8(4) . . . . ?
P1 C29 C34 C33 176.9(2) . . . . ?
C32 C33 C34 C29 56.9(4) . . . . ?
C23 P1 C35 C36 44.5(3) . . . . ?
C29 P1 C35 C36 -62.1(3) . . . . ?
Ni1 P1 C35 C36 165.00(19) . . . . ?
C23 P1 C35 C40 -85.3(3) . . . . ?
C29 P1 C35 C40 168.2(2) . . . . ?
Ni1 P1 C35 C40 35.2(3) . . . . ?
C40 C35 C36 C37 -57.2(4) . . . . ?
P1 C35 C36 C37 171.4(2) . . . . ?
C35 C36 C37 C38 56.7(4) . . . . ?
C36 C37 C38 C39 -54.5(5) . . . . ?
C37 C38 C39 C40 53.6(4) . . . . ?
C38 C39 C40 C35 -54.4(4) . . . . ?
C36 C35 C40 C39 55.8(4) . . . . ?
P1 C35 C40 C39 -170.9(3) . . . . ?
C53 P2 C41 C42 169.3(2) . . . . ?
C47 P2 C41 C42 59.8(2) . . . . ?
Ni2 P2 C41 C42 -64.1(2) . . . . ?
C53 P2 C41 C46 39.7(3) . . . . ?
C47 P2 C41 C46 -69.8(3) . . . . ?
Ni2 P2 C41 C46 166.3(2) . . . . ?
C46 C41 C42 C43 -54.5(4) . . . . ?
P2 C41 C42 C43 171.2(2) . . . . ?
C41 C42 C43 C44 54.9(4) . . . . ?
C42 C43 C44 C45 -54.4(5) . . . . ?
C43 C44 C45 C46 54.8(4) . . . . ?
C44 C45 C46 C41 -55.9(4) . . . . ?
C42 C41 C46 C45 55.2(4) . . . . ?
P2 C41 C46 C45 -174.8(3) . . . . ?
C53 P2 C47 C52 162.3(3) . . . . ?
C41 P2 C47 C52 -88.9(2) . . . . ?
Ni2 P2 C47 C52 29.5(3) . . . . ?
C53 P2 C47 C48 -67.4(3) . . . . ?
C41 P2 C47 C48 41.4(3) . . . . ?
Ni2 P2 C47 C48 159.8(2) . . . . ?
C52 C47 C48 C49 -56.6(4) . . . . ?
P2 C47 C48 C49 171.9(3) . . . . ?
C47 C48 C49 C50 56.1(4) . . . . ?
C48 C49 C50 C51 -55.0(4) . . . . ?
C49 C50 C51 C52 54.0(4) . . . . ?
C50 C51 C52 C47 -55.4(4) . . . . ?
C48 C47 C52 C51 57.5(4) . . . . ?
P2 C47 C52 C51 -168.7(2) . . . . ?
C47 P2 C53 C58B 16.7(13) . . . . ?
C41 P2 C53 C58B -96.5(13) . . . . ?
Ni2 P2 C53 C58B 146.4(12) . . . . ?
C47 P2 C53 C58A -42.8(5) . . . . ?
C41 P2 C53 C58A -156.0(5) . . . . ?
Ni2 P2 C53 C58A 86.9(5) . . . . ?
C47 P2 C53 C54 -175.8(3) . . . . ?
C41 P2 C53 C54 71.1(3) . . . . ?
Ni2 P2 C53 C54 -46.0(4) . . . . ?
C58B C53 C54 C55A -1.4(14) . . . . ?
C58A C53 C54 C55A 52.5(9) . . . . ?
P2 C53 C54 C55A -170.3(5) . . . . ?
C58B C53 C54 C55B -39.3(17) . . . . ?
C58A C53 C54 C55B 14.7(12) . . . . ?
P2 C53 C54 C55B 151.8(9) . . . . ?
C55B C56 C57 C58A -12.2(17) . . . . ?
C55A C56 C57 C58A -56.3(10) . . . . ?
C55B C56 C57 C58B 34.4(19) . . . . ?
C55A C56 C57 C58B -9.6(13) . . . . ?
C55B C56 C55A C54 -57.4(13) . . . . ?
C57 C56 C55A C54 51.2(11) . . . . ?
C53 C54 C55A C56 -48.5(11) . . . . ?
C55B C54 C55A C56 49.2(12) . . . . ?
C58B C53 C58A C57 53.2(9) . . . . ?
C54 C53 C58A C57 -57.5(7) . . . . ?
P2 C53 C58A C57 170.3(4) . . . . ?
C56 C57 C58A C53 59.3(8) . . . . ?
C58B C57 C58A C53 -48.2(8) . . . . ?
C55A C56 C55B C54 57.2(14) . . . . ?
C57 C56 C55B C54 -34(2) . . . . ?
C53 C54 C55B C56 35(2) . . . . ?
C55A C54 C55B C56 -62.5(15) . . . . ?
C58A C53 C58B C57 -53.7(10) . . . . ?
C54 C53 C58B C57 40.7(17) . . . . ?
P2 C53 C58B C57 -152.8(6) . . . . ?
C56 C57 C58B C53 -36.5(17) . . . . ?
C58A C57 C58B C53 55.5(10) . . . . ?
C61 C61 C62 C63 -162(3) 7_665 . . . ?
C65 C64 C65 C66 -167(3) 2_654 . . . ?
C75 O71 C72 C73 4(4) . . . . ?
O71 C72 C73 C74 35(3) . . . . ?
C72 C73 C74 C75 -69(2) . . . . ?
C72 O71 C75 C74 -44(3) . . . . ?
C73 C74 C75 O71 68.5(19) . . . . ?
C85 O81 C82 C83 -56(2) . . . . ?
O81 C82 C83 C84 65(2) . . . . ?
C82 C83 C84 C85 -54(3) . . . . ?
C82 O81 C85 C84 25(3) . . . . ?
C83 C84 C85 O81 18(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.650
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.077