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

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  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.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_1S
_audit_creation_date             2014-03-31
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C30 H30 N4 Ni4 O17'
_chemical_formula_sum            'C30 H30 N4 Ni4 O17'
_chemical_formula_weight         953.42
_chemical_melting_point          ?
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   12.8539(5)
_cell_length_b                   14.4578(8)
_cell_length_c                   30.4530(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.497(5)
_cell_angle_gamma                90.00
_cell_volume                     5623.0(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_exptl_absorpt_coefficient_mu    1.371
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.126
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             1944
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0591
_diffrn_reflns_av_unetI/netI     0.0888
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            28515
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.34
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                7861
_reflns_number_total             11013
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.628
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         11013
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0460
_refine_ls_restrained_S_all      0.977
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0511P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1183
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB)
2.b Ternary CH refined with riding coordinates:
 O13(H13), O14(H14)
2.c Me refined with riding coordinates:
 C9(H9A,H9B,H9C), C8(H8A,H8B,H8C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
2.d Aromatic/amide H refined with riding coordinates:
 C25(H25), C28(H28), C3(H3), C23(H23), C22(H22), C29(H29), C12(H12), C19(H19),
 C20(H20), C26(H26)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.87276(3) 0.78238(3) 0.066406(15) 0.01047(12) Uani 1 1 d . . .
Ni2 Ni 1.19672(3) 0.90705(3) 0.111829(15) 0.01148(12) Uani 1 1 d . . .
Ni3 Ni 1.12926(3) 0.70616(3) 0.119069(15) 0.00959(12) Uani 1 1 d . . .
Ni4 Ni 0.97333(3) 0.80990(3) 0.161134(15) 0.00921(12) Uani 1 1 d . . .
O1 O 1.14677(17) 0.79637(16) 0.06652(8) 0.0119(5) Uani 1 1 d . . .
O4 O 1.07542(16) 1.10210(16) -0.10777(8) 0.0106(5) Uani 1 1 d . . .
O13 O 0.97009(17) 0.71444(16) 0.11129(8) 0.0116(5) Uani 1 1 d . . .
H13 H 0.9387 0.6563 0.1198 0.014 Uiso 1 1 calc R . .
O6 O 1.28879(17) 0.69812(17) 0.13018(8) 0.0146(6) Uani 1 1 d . . .
O9 O 1.00766(17) 0.71096(16) 0.20889(8) 0.0124(5) Uani 1 1 d . . .
O10 O 1.11999(17) 0.62570(16) 0.17397(8) 0.0122(5) Uani 1 1 d . . .
O14 O 1.12734(16) 0.82823(15) 0.15373(8) 0.0100(5) Uani 1 1 d . . .
H14 H 1.1707 0.8235 0.1822 0.012 Uiso 1 1 calc R . .
O3 O 0.93606(17) 1.01960(16) -0.09172(8) 0.0136(6) Uani 1 1 d . . .
O11 O 1.16740(17) 0.33457(17) -0.02871(8) 0.0144(6) Uani 1 1 d . . .
O2 O 0.98763(17) 0.80313(16) 0.02689(8) 0.0132(5) Uani 1 1 d . . .
O8 O 1.81930(16) 0.78606(16) 0.16834(8) 0.0125(5) Uani 1 1 d . . .
O7 O 1.74457(17) 0.75890(17) 0.09889(8) 0.0145(6) Uani 1 1 d . . .
O5 O 1.33918(17) 0.84726(17) 0.13071(9) 0.0169(6) Uani 1 1 d . . .
O1W O 1.23834(18) 1.01501(17) 0.15509(9) 0.0212(6) Uani 1 1 d . . .
H1WA H 1.1952 1.0187 0.1748 0.032 Uiso 1 1 d R . .
H1WB H 1.2368 1.0666 0.1408 0.032 Uiso 1 1 d R . .
O2W O 1.26271(19) 0.97990(19) 0.06363(9) 0.0251(7) Uani 1 1 d . . .
H2WA H 1.2200 0.9822 0.0395 0.038 Uiso 1 1 d R . .
H2WB H 1.3199 0.9532 0.0579 0.038 Uiso 1 1 d R . .
N3 N 1.0313(2) 0.41444(19) 0.29302(10) 0.0108(6) Uani 1 1 d . . .
N1 N 1.2619(2) 0.8744(2) -0.05559(10) 0.0163(7) Uani 1 1 d . . .
O3W O 0.78382(17) 0.86828(17) 0.02117(9) 0.0180(6) Uani 1 1 d . . .
H3WA H 0.8150 0.9206 0.0190 0.027 Uiso 1 1 d R . .
H3WB H 0.7233 0.8782 0.0299 0.027 Uiso 1 1 d R . .
C13 C 1.6479(2) 0.7281(2) 0.15889(12) 0.0110(8) Uani 1 1 d . . .
N4 N 1.1417(2) 0.5865(2) 0.08277(10) 0.0144(7) Uani 1 1 d . . .
C25 C 1.1961(3) 0.5150(3) 0.10262(13) 0.0208(9) Uani 1 1 d . . .
H25 H 1.2228 0.5209 0.1322 0.025 Uiso 1 1 calc R . .
N2 N 1.5658(2) 0.6381(2) 0.21166(11) 0.0210(8) Uani 1 1 d . . .
O12 O 1.2167(2) 0.26460(19) 0.03623(10) 0.0312(7) Uani 1 1 d . . .
C4 C 1.1029(3) 0.9603(2) -0.06810(12) 0.0114(8) Uani 1 1 d . . .
C28 C 1.1246(3) 0.4982(3) 0.01592(13) 0.0180(8) Uani 1 1 d . . .
H28 H 1.1010 0.4952 -0.0141 0.022 Uiso 1 1 calc R . .
C11 C 1.4611(2) 0.7320(3) 0.15889(12) 0.0123(8) Uani 1 1 d . . .
C3 C 1.0662(3) 0.9153(2) -0.03339(12) 0.0113(8) Uani 1 1 d . . .
H3 H 0.9980 0.9259 -0.0273 0.014 Uiso 1 1 calc R . .
C23 C 0.9839(3) 0.4958(2) 0.29767(12) 0.0132(8) Uani 1 1 d . . .
H23 H 0.9423 0.5020 0.3206 0.016 Uiso 1 1 calc R . .
C6 C 1.0330(3) 1.0329(2) -0.09148(12) 0.0112(8) Uani 1 1 d . . .
C7 C 1.0846(3) 0.8139(2) 0.03197(12) 0.0120(8) Uani 1 1 d . . .
C16 C 1.3533(3) 0.7617(3) 0.13828(12) 0.0146(8) Uani 1 1 d . . .
C24 C 1.0613(2) 0.6388(2) 0.20368(12) 0.0118(8) Uani 1 1 d . . .
C22 C 0.9931(2) 0.5698(2) 0.27080(12) 0.0132(8) Uani 1 1 d . . .
H22 H 0.9597 0.6253 0.2758 0.016 Uiso 1 1 calc R . .
C1 C 1.2294(3) 0.8347(2) -0.01917(13) 0.0158(8) Uani 1 1 d . . .
C15 C 1.7449(2) 0.7601(2) 0.14061(13) 0.0132(8) Uani 1 1 d . . .
C2 C 1.1291(3) 0.8543(2) -0.00724(12) 0.0126(8) Uani 1 1 d . . .
C27 C 1.1770(3) 0.4237(3) 0.03682(13) 0.0174(8) Uani 1 1 d . . .
C21 C 1.0530(2) 0.5615(2) 0.23566(12) 0.0114(8) Uani 1 1 d . . .
C29 C 1.1077(3) 0.5774(3) 0.04003(13) 0.0191(9) Uani 1 1 d . . .
H29 H 1.0710 0.6262 0.0257 0.023 Uiso 1 1 calc R . .
C14 C 1.6521(3) 0.6660(3) 0.19423(13) 0.0184(9) Uani 1 1 d . . .
C5 C 1.2027(3) 0.9380(2) -0.07900(13) 0.0144(8) Uani 1 1 d . . .
C12 C 1.5499(2) 0.7609(2) 0.14154(12) 0.0129(8) Uani 1 1 d . . .
H12 H 1.5444 0.8024 0.1181 0.015 Uiso 1 1 calc R . .
C19 C 1.0896(3) 0.4057(3) 0.25931(13) 0.0199(9) Uani 1 1 d . . .
H19 H 1.1230 0.3497 0.2554 0.024 Uiso 1 1 calc R . .
C20 C 1.1017(3) 0.4770(3) 0.23028(13) 0.0215(9) Uani 1 1 d . . .
H20 H 1.1422 0.4687 0.2072 0.026 Uiso 1 1 calc R . .
C30 C 1.1885(3) 0.3334(3) 0.01260(13) 0.0174(8) Uani 1 1 d . . .
C9 C 1.2496(3) 0.9785(3) -0.11765(13) 0.0232(9) Uani 1 1 d . . .
H9A H 1.3174 0.9519 -0.1194 0.035 Uiso 1 1 calc R . .
H9B H 1.2564 1.0443 -0.1139 0.035 Uiso 1 1 calc R . .
H9C H 1.2050 0.9654 -0.1444 0.035 Uiso 1 1 calc R . .
C8 C 1.3041(3) 0.7697(3) 0.00583(14) 0.0228(9) Uani 1 1 d . . .
H8A H 1.3686 0.7688 -0.0073 0.034 Uiso 1 1 calc R . .
H8B H 1.2744 0.7087 0.0049 0.034 Uiso 1 1 calc R . .
H8C H 1.3174 0.7897 0.0360 0.034 Uiso 1 1 calc R . .
C17 C 1.7537(3) 0.6238(3) 0.21507(15) 0.0315(11) Uani 1 1 d . . .
H17A H 1.7398 0.5838 0.2389 0.047 Uiso 1 1 calc R . .
H17B H 1.8007 0.6721 0.2263 0.047 Uiso 1 1 calc R . .
H17C H 1.7851 0.5887 0.1933 0.047 Uiso 1 1 calc R . .
C26 C 1.2136(3) 0.4338(3) 0.08098(14) 0.0246(9) Uani 1 1 d . . .
H26 H 1.2501 0.3858 0.0961 0.029 Uiso 1 1 calc R . .
C10 C 1.4710(3) 0.6703(3) 0.19427(13) 0.0193(9) Uani 1 1 d . . .
C18 C 1.3796(3) 0.6396(3) 0.21753(15) 0.0331(11) Uani 1 1 d . . .
H18A H 1.4036 0.5978 0.2410 0.050 Uiso 1 1 calc R . .
H18B H 1.3291 0.6089 0.1969 0.050 Uiso 1 1 calc R . .
H18C H 1.3477 0.6926 0.2295 0.050 Uiso 1 1 calc R . .


_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 2.152(2) 3_775 ?
Ni1 O13 2.003(2) . ?
Ni1 O11 2.076(2) 3_765 ?
Ni1 O2 2.030(2) . ?
Ni1 O7 2.044(2) 1_455 ?
Ni1 O3W 2.095(3) . ?
Ni2 O1 2.162(2) . ?
Ni2 O14 1.995(2) . ?
Ni2 O3 2.044(2) 3_775 ?
Ni2 O5 2.048(2) . ?
Ni2 O1W 2.073(3) . ?
Ni2 O2W 2.065(3) . ?
Ni3 Ni4 2.9135(6) . ?
Ni3 O1 2.096(2) . ?
Ni3 O13 2.036(2) . ?
Ni3 O6 2.043(2) . ?
Ni3 O10 2.051(2) . ?
Ni3 O14 2.058(2) . ?
Ni3 N4 2.069(3) . ?
Ni4 O4 2.103(2) 3_775 ?
Ni4 O13 2.048(2) . ?
Ni4 O9 2.052(2) . ?
Ni4 O14 2.035(2) . ?
Ni4 O8 2.046(2) 1_455 ?
Ni4 N3 2.063(3) 2_755 ?
O1 C7 1.272(4) . ?
O4 Ni1 2.152(2) 3_775 ?
O4 Ni4 2.103(2) 3_775 ?
O4 C6 1.267(4) . ?
O6 C16 1.244(4) . ?
O9 C24 1.270(4) . ?
O10 C24 1.256(4) . ?
O3 Ni2 2.044(2) 3_775 ?
O3 C6 1.260(4) . ?
O11 Ni1 2.076(2) 3_765 ?
O11 C30 1.257(4) . ?
O2 C7 1.249(4) . ?
O8 Ni4 2.046(2) 1_655 ?
O8 C15 1.259(4) . ?
O7 Ni1 2.044(2) 1_655 ?
O7 C15 1.270(4) . ?
O5 C16 1.267(4) . ?
N3 Ni4 2.063(3) 2_745 ?
N3 C23 1.339(4) . ?
N3 C19 1.344(4) . ?
N1 C1 1.356(5) . ?
N1 C5 1.345(5) . ?
C13 C15 1.495(5) . ?
C13 C14 1.399(5) . ?
C13 C12 1.392(5) . ?
N4 C25 1.351(5) . ?
N4 C29 1.332(5) . ?
C25 C26 1.377(5) . ?
N2 C14 1.345(4) . ?
N2 C10 1.354(5) . ?
O12 C30 1.257(5) . ?
C4 C3 1.370(5) . ?
C4 C6 1.507(5) . ?
C4 C5 1.399(5) . ?
C28 C27 1.386(5) . ?
C28 C29 1.391(5) . ?
C11 C16 1.517(5) . ?
C11 C12 1.375(5) . ?
C11 C10 1.394(5) . ?
C3 C2 1.386(5) . ?
C23 C22 1.361(5) . ?
C7 C2 1.499(5) . ?
C24 C21 1.494(5) . ?
C22 C21 1.393(5) . ?
C1 C2 1.408(4) . ?
C1 C8 1.490(5) . ?
C27 C30 1.515(5) . ?
C27 C26 1.381(6) . ?
C21 C20 1.390(5) . ?
C14 C17 1.514(5) . ?
C5 C9 1.501(5) . ?
C19 C20 1.378(5) . ?
C10 C18 1.507(5) . ?

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
O13 Ni1 O4 81.55(9) . 3_775 ?
O13 Ni1 O11 94.30(10) . 3_765 ?
O13 Ni1 O2 92.12(9) . . ?
O13 Ni1 O7 93.65(10) . 1_455 ?
O13 Ni1 O3W 172.55(10) . . ?
O11 Ni1 O4 175.64(9) 3_765 3_775 ?
O11 Ni1 O3W 92.07(10) 3_765 . ?
O2 Ni1 O4 91.98(9) . 3_775 ?
O2 Ni1 O11 86.83(9) . 3_765 ?
O2 Ni1 O7 172.65(10) . 1_455 ?
O2 Ni1 O3W 84.37(9) . . ?
O7 Ni1 O4 93.36(9) 1_455 3_775 ?
O7 Ni1 O11 88.21(9) 1_455 3_765 ?
O7 Ni1 O3W 90.40(10) 1_455 . ?
O3W Ni1 O4 91.98(9) . 3_775 ?
O14 Ni2 O1 82.15(9) . . ?
O14 Ni2 O3 93.98(9) . 3_775 ?
O14 Ni2 O5 91.70(10) . . ?
O14 Ni2 O1W 97.21(10) . . ?
O14 Ni2 O2W 174.41(11) . . ?
O3 Ni2 O1 90.87(9) 3_775 . ?
O3 Ni2 O5 173.34(10) 3_775 . ?
O3 Ni2 O1W 86.93(10) 3_775 . ?
O3 Ni2 O2W 85.33(10) 3_775 . ?
O5 Ni2 O1 93.34(9) . . ?
O5 Ni2 O1W 88.92(10) . . ?
O5 Ni2 O2W 89.35(10) . . ?
O1W Ni2 O1 177.67(9) . . ?
O2W Ni2 O1 92.30(10) . . ?
O2W Ni2 O1W 88.30(11) . . ?
O1 Ni3 Ni4 98.86(6) . . ?
O13 Ni3 Ni4 44.66(7) . . ?
O13 Ni3 O1 93.90(9) . . ?
O13 Ni3 O6 177.17(10) . . ?
O13 Ni3 O10 88.73(9) . . ?
O13 Ni3 O14 86.51(9) . . ?
O13 Ni3 N4 97.14(10) . . ?
O6 Ni3 Ni4 133.15(7) . . ?
O6 Ni3 O1 88.24(9) . . ?
O6 Ni3 O10 89.00(9) . . ?
O6 Ni3 O14 91.95(9) . . ?
O6 Ni3 N4 84.50(10) . . ?
O10 Ni3 Ni4 80.05(6) . . ?
O10 Ni3 O1 175.02(10) . . ?
O10 Ni3 O14 93.62(9) . . ?
O10 Ni3 N4 88.64(11) . . ?
O14 Ni3 Ni4 44.30(6) . . ?
O14 Ni3 O1 82.33(9) . . ?
O14 Ni3 N4 175.76(10) . . ?
N4 Ni3 Ni4 139.80(8) . . ?
N4 Ni3 O1 95.23(11) . . ?
O4 Ni4 Ni3 97.55(6) 3_775 . ?
O13 Ni4 Ni3 44.33(6) . . ?
O13 Ni4 O4 81.71(9) . 3_775 ?
O13 Ni4 O9 92.30(10) . . ?
O13 Ni4 N3 174.47(11) . 2_755 ?
O9 Ni4 Ni3 81.33(6) . . ?
O9 Ni4 O4 172.26(9) . 3_775 ?
O9 Ni4 N3 92.95(11) . 2_755 ?
O14 Ni4 Ni3 44.93(6) . . ?
O14 Ni4 O4 92.52(9) . 3_775 ?
O14 Ni4 O13 86.80(9) . . ?
O14 Ni4 O9 92.03(9) . . ?
O14 Ni4 O8 177.78(9) . 1_455 ?
O14 Ni4 N3 94.74(10) . 2_755 ?
O8 Ni4 Ni3 133.06(7) 1_455 . ?
O8 Ni4 O4 88.71(9) 1_455 3_775 ?
O8 Ni4 O13 91.56(9) 1_455 . ?
O8 Ni4 O9 86.54(9) 1_455 . ?
O8 Ni4 N3 87.04(10) 1_455 2_755 ?
N3 Ni4 Ni3 138.48(7) 2_755 . ?
N3 Ni4 O4 92.91(10) 2_755 3_775 ?
Ni3 O1 Ni2 91.33(9) . . ?
C7 O1 Ni2 119.6(2) . . ?
C7 O1 Ni3 130.0(2) . . ?
Ni4 O4 Ni1 91.61(9) 3_775 3_775 ?
C6 O4 Ni1 120.1(2) . 3_775 ?
C6 O4 Ni4 132.6(2) . 3_775 ?
Ni1 O13 Ni3 130.54(12) . . ?
Ni1 O13 Ni4 97.70(10) . . ?
Ni3 O13 Ni4 91.00(9) . . ?
C16 O6 Ni3 128.7(2) . . ?
C24 O9 Ni4 124.1(2) . . ?
C24 O10 Ni3 126.6(2) . . ?
Ni2 O14 Ni3 97.45(10) . . ?
Ni2 O14 Ni4 131.01(12) . . ?
Ni4 O14 Ni3 90.77(9) . . ?
C6 O3 Ni2 135.6(2) . 3_775 ?
C30 O11 Ni1 123.7(2) . 3_765 ?
C7 O2 Ni1 136.7(2) . . ?
C15 O8 Ni4 130.5(2) . 1_655 ?
C15 O7 Ni1 124.8(2) . 1_655 ?
C16 O5 Ni2 124.6(2) . . ?
C23 N3 Ni4 121.5(2) . 2_745 ?
C23 N3 C19 117.6(3) . . ?
C19 N3 Ni4 120.6(2) . 2_745 ?
C5 N1 C1 121.0(3) . . ?
C14 C13 C15 121.6(3) . . ?
C12 C13 C15 120.7(3) . . ?
C12 C13 C14 117.8(3) . . ?
C25 N4 Ni3 117.9(3) . . ?
C29 N4 Ni3 124.6(3) . . ?
C29 N4 C25 117.2(3) . . ?
N4 C25 C26 122.8(4) . . ?
C10 N2 C14 119.2(3) . . ?
C3 C4 C6 117.2(3) . . ?
C3 C4 C5 118.6(3) . . ?
C5 C4 C6 124.2(3) . . ?
C27 C28 C29 119.6(4) . . ?
C12 C11 C16 120.9(3) . . ?
C12 C11 C10 118.9(3) . . ?
C10 C11 C16 120.0(3) . . ?
C4 C3 C2 121.1(3) . . ?
N3 C23 C22 123.8(3) . . ?
O4 C6 C4 118.3(3) . . ?
O3 C6 O4 126.0(3) . . ?
O3 C6 C4 115.6(3) . . ?
O1 C7 C2 118.4(3) . . ?
O2 C7 O1 127.0(3) . . ?
O2 C7 C2 114.5(3) . . ?
O6 C16 O5 127.3(3) . . ?
O6 C16 C11 115.5(3) . . ?
O5 C16 C11 117.2(3) . . ?
O9 C24 C21 117.0(3) . . ?
O10 C24 O9 126.3(3) . . ?
O10 C24 C21 116.7(3) . . ?
C23 C22 C21 119.1(3) . . ?
N1 C1 C2 120.1(3) . . ?
N1 C1 C8 116.4(3) . . ?
C2 C1 C8 123.5(3) . . ?
O8 C15 O7 126.2(3) . . ?
O8 C15 C13 116.4(3) . . ?
O7 C15 C13 117.4(3) . . ?
C3 C2 C7 117.2(3) . . ?
C3 C2 C1 118.1(3) . . ?
C1 C2 C7 124.7(3) . . ?
C28 C27 C30 121.0(4) . . ?
C26 C27 C28 117.3(4) . . ?
C26 C27 C30 121.6(3) . . ?
C22 C21 C24 121.5(3) . . ?
C22 C21 C20 117.5(3) . . ?
C20 C21 C24 121.0(3) . . ?
N4 C29 C28 122.9(4) . . ?
C13 C14 C17 122.6(3) . . ?
N2 C14 C13 122.2(3) . . ?
N2 C14 C17 115.2(3) . . ?
N1 C5 C4 120.7(3) . . ?
N1 C5 C9 115.4(3) . . ?
C4 C5 C9 123.8(3) . . ?
C11 C12 C13 120.3(3) . . ?
N3 C19 C20 122.2(3) . . ?
C19 C20 C21 119.8(3) . . ?
O11 C30 O12 126.9(4) . . ?
O11 C30 C27 117.0(3) . . ?
O12 C30 C27 116.2(3) . . ?
C25 C26 C27 120.0(4) . . ?
N2 C10 C11 121.5(3) . . ?
N2 C10 C18 115.5(3) . . ?
C11 C10 C18 123.0(3) . . ?

_platon_squeeze_details          
;
;
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 -0.145 0.376 0.092 2669 575 ' '

_database_code_depnum_ccdc_archive 'CCDC 994675'
