# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_shelxl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C29 H16 Ni2 O12, 2(O)'
_chemical_formula_sum            'C29 H16 Ni2 O14'
_chemical_formula_weight         705.80

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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n n m'
_symmetry_space_group_name_Hall  '-P 2 2n'

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

_cell_length_a                   14.9927(17)
_cell_length_b                   17.2321(16)
_cell_length_c                   24.798(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6406.7(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    2525
_cell_measurement_theta_min      3.0462
_cell_measurement_theta_max      29.1328

_exptl_crystal_description       plate
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.5523
_exptl_crystal_size_mid          0.1435
_exptl_crystal_size_min          0.1245
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.732
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1432
_exptl_absorpt_coefficient_mu    0.621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.899
_exptl_absorpt_correction_T_max  0.926
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      170(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean 8.3438
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17541
_diffrn_reflns_av_R_equivalents  0.0837
_diffrn_reflns_av_sigmaI/netI    0.1523
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         26.50
_reflns_number_total             6782
_reflns_number_gt                3242
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Diamond (Crystal Impact, 2009)'
_computing_publication_material  SHELXL-97

_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. 
;

_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^)+(0.1350P)^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         6782
_refine_ls_number_parameters     212
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1365
_refine_ls_R_factor_gt           0.0863
_refine_ls_wR_factor_ref         0.2556
_refine_ls_wR_factor_gt          0.2356
_refine_ls_goodness_of_fit_ref   0.899
_refine_ls_restrained_S_all      0.899
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.013 0.002 -0.006 4085 991 ' '
_platon_squeeze_details          
;
;

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 0.30544(6) 0.21086(5) 0.0000 0.0297(3) Uani 1 2 d S . .
Ni2 Ni 0.39507(7) 0.02422(6) 0.0000 0.0387(3) Uani 1 2 d S . .
O7 O 0.1916(4) 0.2826(3) 0.0000 0.0526(15) Uani 1 2 d S . .
O5 O 0.3571(3) 0.2833(2) 0.05826(15) 0.0466(10) Uani 1 1 d . . .
O1 O 0.4207(3) 0.1406(3) 0.0000 0.0330(11) Uani 1 2 d S . .
C6 C 0.0000 0.0000 0.2459(3) 0.0308(16) Uani 1 2 d S . .
O3 O 0.3092(3) 0.0327(2) 0.06131(17) 0.0546(11) Uani 1 1 d . . .
O4 O 0.2465(3) 0.1485(2) 0.05876(17) 0.0617(12) Uani 1 1 d . . .
C5 C 0.0756(3) 0.0231(3) 0.20663(18) 0.0277(11) Uani 1 1 d . . .
C13 C 0.4761(3) 0.4332(3) 0.21496(18) 0.0306(11) Uani 1 1 d . . .
O2 O 0.5000 0.0000 0.0562(2) 0.0527(15) Uani 1 2 d S . .
C2 C 0.1932(4) 0.0622(3) 0.1229(2) 0.0410(13) Uani 1 1 d . . .
C4 C 0.1487(4) -0.0227(3) 0.1956(2) 0.0407(13) Uani 1 1 d . . .
H4 H 0.1592 -0.0666 0.2165 0.049 Uiso 1 1 calc R . .
C8 C 0.1235(4) 0.1087(3) 0.1350(2) 0.0435(14) Uani 1 1 d . . .
H8 H 0.1157 0.1548 0.1161 0.052 Uiso 1 1 calc R . .
C3 C 0.2069(4) -0.0047(3) 0.1539(2) 0.0466(15) Uani 1 1 d . . .
H3 H 0.2550 -0.0370 0.1466 0.056 Uiso 1 1 calc R . .
C7 C 0.0633(4) 0.0888(3) 0.1750(2) 0.0394(13) Uani 1 1 d . . .
H7 H 0.0137 0.1201 0.1809 0.047 Uiso 1 1 calc R . .
O6 O 0.4726(4) 0.2116(3) 0.0841(2) 0.095(2) Uani 1 1 d . . .
C12 C 0.3981(4) 0.4401(3) 0.1837(2) 0.0451(14) Uani 1 1 d . . .
H12 H 0.3579 0.4801 0.1904 0.054 Uiso 1 1 calc R . .
C11 C 0.3814(4) 0.3868(3) 0.1428(2) 0.0503(16) Uani 1 1 d . . .
H11 H 0.3301 0.3914 0.1219 0.060 Uiso 1 1 calc R . .
C1 C 0.2561(4) 0.0832(3) 0.0775(2) 0.0391(13) Uani 1 1 d . . .
C10 C 0.4406(4) 0.3272(3) 0.1330(2) 0.0449(14) Uani 1 1 d . . .
C14 C 0.5318(4) 0.3724(3) 0.2052(2) 0.0476(15) Uani 1 1 d . . .
H14 H 0.5826 0.3660 0.2263 0.057 Uiso 1 1 calc R . .
C15 C 0.5138(4) 0.3206(4) 0.1648(2) 0.0505(16) Uani 1 1 d . . .
H15 H 0.5530 0.2796 0.1590 0.061 Uiso 1 1 calc R . .
C9 C 0.4199(5) 0.2706(4) 0.0877(3) 0.0577(17) Uani 1 1 d . . .
O8 O 0.3743(4) -0.0956(3) 0.0000 0.071(2) Uani 1 2 d S . .
O1W O 0.5602(5) 0.1010(4) 0.1322(3) 0.151(3) Uani 1 1 d . . .

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 0.0370(5) 0.0319(5) 0.0203(4) 0.000 0.000 0.0015(4)
Ni2 0.0453(6) 0.0404(6) 0.0304(5) 0.000 0.000 0.0039(5)
O7 0.049(3) 0.055(4) 0.054(3) 0.000 0.000 -0.002(3)
O5 0.055(2) 0.047(2) 0.039(2) -0.0173(18) -0.018(2) 0.014(2)
O1 0.043(3) 0.036(3) 0.020(2) 0.000 0.000 0.011(2)
C6 0.039(4) 0.031(4) 0.022(3) 0.000 0.000 0.002(3)
O3 0.050(2) 0.053(3) 0.060(3) 0.014(2) 0.023(2) 0.009(2)
O4 0.075(3) 0.051(3) 0.059(2) 0.018(2) 0.031(2) 0.013(2)
C5 0.033(3) 0.030(3) 0.020(2) -0.005(2) -0.007(2) -0.001(2)
C13 0.035(3) 0.036(3) 0.021(2) -0.001(2) 0.000(2) 0.002(2)
O2 0.058(4) 0.053(3) 0.047(3) 0.000 0.000 0.022(3)
C2 0.042(3) 0.045(3) 0.036(3) 0.003(3) 0.003(3) 0.001(3)
C4 0.046(3) 0.043(3) 0.033(3) 0.014(3) 0.005(3) 0.010(3)
C8 0.051(4) 0.042(3) 0.038(3) 0.016(3) 0.009(3) 0.015(3)
C3 0.045(4) 0.048(3) 0.047(3) 0.009(3) 0.010(3) 0.011(3)
C7 0.047(3) 0.041(3) 0.031(3) 0.006(2) 0.008(3) 0.009(3)
O6 0.127(5) 0.083(3) 0.076(3) -0.041(3) -0.059(3) 0.056(3)
C12 0.058(4) 0.045(3) 0.032(3) -0.007(3) -0.007(3) 0.008(3)
C11 0.051(4) 0.059(4) 0.041(3) -0.005(3) -0.021(3) 0.006(3)
C1 0.046(3) 0.036(3) 0.035(3) 0.004(3) 0.008(3) 0.000(3)
C10 0.051(4) 0.046(3) 0.038(3) -0.021(3) -0.004(3) 0.011(3)
C14 0.058(4) 0.048(3) 0.037(3) -0.009(3) -0.017(3) 0.009(3)
C15 0.055(4) 0.051(3) 0.046(3) -0.019(3) -0.013(3) 0.014(3)
C9 0.062(4) 0.058(4) 0.053(4) -0.020(3) -0.004(4) 0.014(4)
O8 0.065(4) 0.046(4) 0.102(5) 0.000 0.000 0.020(3)
O1W 0.214(8) 0.124(5) 0.116(5) -0.027(5) -0.070(6) 0.071(6)

_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 O4 2.015(4) 6 ?
Ni1 O4 2.015(4) . ?
Ni1 O5 2.060(4) . ?
Ni1 O5 2.060(4) 6 ?
Ni1 O7 2.108(6) . ?
Ni1 O1 2.110(5) . ?
Ni2 O3 1.997(4) 6 ?
Ni2 O3 1.997(4) . ?
Ni2 O1 2.042(5) . ?
Ni2 O8 2.088(6) . ?
Ni2 O2 2.143(4) . ?
Ni2 O2 2.143(4) 5_655 ?
O5 C9 1.211(7) . ?
C6 C13 1.548(6) 3_455 ?
C6 C13 1.548(6) 4_545 ?
C6 C5 1.546(6) 2 ?
C6 C5 1.546(6) . ?
O3 C1 1.246(6) . ?
O4 C1 1.225(6) . ?
C5 C4 1.378(7) . ?
C5 C7 1.391(7) . ?
C13 C14 1.361(7) . ?
C13 C12 1.409(7) . ?
C13 C6 1.548(6) 3 ?
O2 Ni2 2.143(4) 5_655 ?
C2 C8 1.352(7) . ?
C2 C3 1.400(8) . ?
C2 C1 1.513(7) . ?
C4 C3 1.387(7) . ?
C4 H4 0.9300 . ?
C8 C7 1.384(7) . ?
C8 H8 0.9300 . ?
C3 H3 0.9300 . ?
C7 H7 0.9300 . ?
O6 C9 1.290(7) . ?
C12 C11 1.391(8) . ?
C12 H12 0.9300 . ?
C11 C10 1.381(8) . ?
C11 H11 0.9300 . ?
C10 C15 1.357(8) . ?
C10 C9 1.520(8) . ?
C14 C15 1.368(7) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?

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
O4 Ni1 O4 92.6(3) 6 . ?
O4 Ni1 O5 174.41(16) 6 . ?
O4 Ni1 O5 88.91(18) . . ?
O4 Ni1 O5 88.91(18) 6 6 ?
O4 Ni1 O5 174.41(16) . 6 ?
O5 Ni1 O5 89.1(2) . 6 ?
O4 Ni1 O7 87.60(16) 6 . ?
O4 Ni1 O7 87.60(16) . . ?
O5 Ni1 O7 87.09(15) . . ?
O5 Ni1 O7 87.09(15) 6 . ?
O4 Ni1 O1 93.02(15) 6 . ?
O4 Ni1 O1 93.02(15) . . ?
O5 Ni1 O1 92.26(14) . . ?
O5 Ni1 O1 92.26(14) 6 . ?
O7 Ni1 O1 179.1(2) . . ?
O3 Ni2 O3 99.1(2) 6 . ?
O3 Ni2 O1 92.82(15) 6 . ?
O3 Ni2 O1 92.82(15) . . ?
O3 Ni2 O8 88.67(16) 6 . ?
O3 Ni2 O8 88.67(16) . . ?
O1 Ni2 O8 177.7(2) . . ?
O3 Ni2 O2 169.27(15) 6 . ?
O3 Ni2 O2 89.54(17) . . ?
O1 Ni2 O2 93.04(11) . . ?
O8 Ni2 O2 85.23(13) . . ?
O3 Ni2 O2 89.54(17) 6 5_655 ?
O3 Ni2 O2 169.27(15) . 5_655 ?
O1 Ni2 O2 93.04(11) . 5_655 ?
O8 Ni2 O2 85.23(13) . 5_655 ?
O2 Ni2 O2 81.2(2) . 5_655 ?
C9 O5 Ni1 127.2(4) . . ?
Ni2 O1 Ni1 114.2(2) . . ?
C13 C6 C13 102.4(5) 3_455 4_545 ?
C13 C6 C5 114.6(2) 3_455 2 ?
C13 C6 C5 111.9(2) 4_545 2 ?
C13 C6 C5 111.9(2) 3_455 . ?
C13 C6 C5 114.6(2) 4_545 . ?
C5 C6 C5 101.9(5) 2 . ?
C1 O3 Ni2 135.1(4) . . ?
C1 O4 Ni1 135.5(4) . . ?
C4 C5 C7 117.3(5) . . ?
C4 C5 C6 124.2(4) . . ?
C7 C5 C6 117.9(4) . . ?
C14 C13 C12 118.5(5) . . ?
C14 C13 C6 122.8(4) . 3 ?
C12 C13 C6 118.3(4) . 3 ?
Ni2 O2 Ni2 98.8(2) . 5_655 ?
C8 C2 C3 118.7(5) . . ?
C8 C2 C1 120.3(5) . . ?
C3 C2 C1 121.0(5) . . ?
C5 C4 C3 121.4(5) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C2 C8 C7 121.0(5) . . ?
C2 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C4 C3 C2 120.1(5) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C8 C7 C5 121.4(5) . . ?
C8 C7 H7 119.3 . . ?
C5 C7 H7 119.3 . . ?
C11 C12 C13 119.7(5) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C10 C11 C12 120.3(5) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
O4 C1 O3 126.4(5) . . ?
O4 C1 C2 115.4(5) . . ?
O3 C1 C2 118.1(5) . . ?
C15 C10 C11 118.7(5) . . ?
C15 C10 C9 122.8(5) . . ?
C11 C10 C9 118.4(5) . . ?
C13 C14 C15 120.7(5) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C10 C15 C14 122.1(6) . . ?
C10 C15 H15 119.0 . . ?
C14 C15 H15 119.0 . . ?
O5 C9 O6 125.2(6) . . ?
O5 C9 C10 119.2(5) . . ?
O6 C9 C10 115.5(6) . . ?

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
O4 Ni1 O5 C9 76.9(5) . . . . ?
O5 Ni1 O5 C9 -108.3(5) 6 . . . ?
O7 Ni1 O5 C9 164.6(5) . . . . ?
O1 Ni1 O5 C9 -16.1(5) . . . . ?
O3 Ni2 O1 Ni1 49.66(12) 6 . . . ?
O3 Ni2 O1 Ni1 -49.66(12) . . . . ?
O2 Ni2 O1 Ni1 -139.34(11) . . . . ?
O2 Ni2 O1 Ni1 139.34(11) 5_655 . . . ?
O4 Ni1 O1 Ni2 -46.40(13) 6 . . . ?
O4 Ni1 O1 Ni2 46.40(13) . . . . ?
O5 Ni1 O1 Ni2 135.43(12) . . . . ?
O5 Ni1 O1 Ni2 -135.43(12) 6 . . . ?
O3 Ni2 O3 C1 -61.6(6) 6 . . . ?
O1 Ni2 O3 C1 31.7(6) . . . . ?
O8 Ni2 O3 C1 -150.1(6) . . . . ?
O2 Ni2 O3 C1 124.7(5) . . . . ?
O2 Ni2 O3 C1 154.7(6) 5_655 . . . ?
O4 Ni1 O4 C1 73.6(6) 6 . . . ?
O5 Ni1 O4 C1 -111.8(6) . . . . ?
O7 Ni1 O4 C1 161.1(6) . . . . ?
O1 Ni1 O4 C1 -19.6(6) . . . . ?
C13 C6 C5 C4 133.1(4) 3_455 . . . ?
C13 C6 C5 C4 17.1(6) 4_545 . . . ?
C5 C6 C5 C4 -103.9(5) 2 . . . ?
C13 C6 C5 C7 -56.0(5) 3_455 . . . ?
C13 C6 C5 C7 -172.0(4) 4_545 . . . ?
C5 C6 C5 C7 66.9(4) 2 . . . ?
O3 Ni2 O2 Ni2 30.4(8) 6 . . 5_655 ?
O3 Ni2 O2 Ni2 174.60(13) . . . 5_655 ?
O1 Ni2 O2 Ni2 -92.61(9) . . . 5_655 ?
O8 Ni2 O2 Ni2 85.90(11) . . . 5_655 ?
O2 Ni2 O2 Ni2 0.0 5_655 . . 5_655 ?
C7 C5 C4 C3 -1.1(8) . . . . ?
C6 C5 C4 C3 169.7(5) . . . . ?
C3 C2 C8 C7 -3.7(9) . . . . ?
C1 C2 C8 C7 177.4(5) . . . . ?
C5 C4 C3 C2 1.5(9) . . . . ?
C8 C2 C3 C4 0.9(9) . . . . ?
C1 C2 C3 C4 179.7(5) . . . . ?
C2 C8 C7 C5 4.2(9) . . . . ?
C4 C5 C7 C8 -1.7(8) . . . . ?
C6 C5 C7 C8 -173.2(5) . . . . ?
C14 C13 C12 C11 -2.2(8) . . . . ?
C6 C13 C12 C11 170.8(5) 3 . . . ?
C13 C12 C11 C10 0.4(9) . . . . ?
Ni1 O4 C1 O3 -3.0(10) . . . . ?
Ni1 O4 C1 C2 -179.9(4) . . . . ?
Ni2 O3 C1 O4 -4.5(10) . . . . ?
Ni2 O3 C1 C2 172.3(4) . . . . ?
C8 C2 C1 O4 10.0(8) . . . . ?
C3 C2 C1 O4 -168.8(6) . . . . ?
C8 C2 C1 O3 -167.2(5) . . . . ?
C3 C2 C1 O3 14.0(8) . . . . ?
C12 C11 C10 C15 1.6(9) . . . . ?
C12 C11 C10 C9 -179.7(6) . . . . ?
C12 C13 C14 C15 2.1(8) . . . . ?
C6 C13 C14 C15 -170.6(5) 3 . . . ?
C11 C10 C15 C14 -1.8(10) . . . . ?
C9 C10 C15 C14 179.6(6) . . . . ?
C13 C14 C15 C10 -0.1(9) . . . . ?
Ni1 O5 C9 O6 7.7(10) . . . . ?
Ni1 O5 C9 C10 -172.3(4) . . . . ?
C15 C10 C9 O5 -174.4(6) . . . . ?
C11 C10 C9 O5 7.0(9) . . . . ?
C15 C10 C9 O6 5.6(10) . . . . ?
C11 C10 C9 O6 -173.0(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.297
_refine_diff_density_min         -0.778
_refine_diff_density_rms         0.111
_database_code_depnum_ccdc_archive 'CCDC 963547'