# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 2368873'
_audit_update_record             
;
2024-07-08 deposited with the CCDC.	2025-05-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            'Nickel-Organic Compound'
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H21 N5 Ni2 O10'
_chemical_formula_weight         680.90

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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   10.0638(8)
_cell_length_b                   20.4928(17)
_cell_length_c                   29.083(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5997.9(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    6613
_cell_measurement_theta_min      1.988
_cell_measurement_theta_max      27.118

_exptl_crystal_description       Block-shaped
_exptl_crystal_colour            Green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_F_000             2784
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.317
_shelx_estimated_absorpt_T_min   0.858
_shelx_estimated_absorpt_T_max   0.902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.908
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            79370
_diffrn_reflns_av_unetI/netI     0.0649
_diffrn_reflns_av_R_equivalents  0.1287
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         1.988
_diffrn_reflns_theta_max         27.118
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6613
_reflns_number_gt                4533
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    
'Ortep-3 for Windows (Farrugia, 1999) and CAMERON (Watkin et al., 1993)'
_computing_publication_material  'PLATON (Spek, 2003)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0039P)²+13.6432P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6613
_refine_ls_number_parameters     408
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1130
_refine_ls_R_factor_gt           0.0670
_refine_ls_wR_factor_ref         0.0986
_refine_ls_wR_factor_gt          0.0856
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_restrained_S_all      1.188
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.13043(5) 0.07456(3) 0.63527(2) 0.02357(13) Uani 1 1 d . . . . .
Ni2 Ni -0.06786(5) 0.19669(3) 0.58281(2) 0.02409(13) Uani 1 1 d . . . . .
O6 O 0.0196(3) 0.24156(14) 0.63606(10) 0.0298(7) Uani 1 1 d . . . . .
O7 O 0.1543(3) 0.16519(15) 0.66622(10) 0.0333(8) Uani 1 1 d . . . . .
O1 O 0.3519(3) 0.08920(18) 0.80459(10) 0.0457(9) Uani 1 1 d . . . . .
O4 O 0.1350(4) -0.04951(16) 0.46497(10) 0.0450(9) Uani 1 1 d . . . . .
O3 O 0.1451(3) -0.15731(15) 0.47566(9) 0.0353(8) Uani 1 1 d . . . . .
O2 O 0.5505(3) 0.04119(15) 0.80510(9) 0.0310(7) Uani 1 1 d . . . . .
N5 N 0.2429(3) 0.20236(18) 0.88444(12) 0.0282(8) Uani 1 1 d . . . . .
N4 N 0.1853(4) 0.2500(2) 0.74220(13) 0.0330(10) Uani 1 1 d . . . . .
O5 O -0.0317(3) 0.2465(2) 0.75517(12) 0.0608(12) Uani 1 1 d . . . . .
N1 N 0.3108(3) 0.04914(18) 0.66543(11) 0.0287(9) Uani 1 1 d . . . . .
N3 N -0.0901(3) 0.28705(17) 0.54985(11) 0.0277(9) Uani 1 1 d . . . . .
C2 C 0.4364(4) 0.0444(2) 0.73490(14) 0.0324(11) Uani 1 1 d . . . . .
C23 C -0.1932(4) 0.3501(2) 0.49015(14) 0.0268(10) Uani 1 1 d . . . . .
C3 C 0.5365(5) 0.0116(3) 0.71232(17) 0.0567(17) Uani 1 1 d . . . . .
H3 H 0.613001 -0.000825 0.727960 0.068 Uiso 1 1 calc R U . . .
C11 C 0.1164(4) -0.0915(2) 0.54095(14) 0.0310(11) Uani 1 1 d . . . . .
C8 C 0.0850(5) -0.0720(2) 0.63238(15) 0.0488(14) Uani 1 1 d . . . . .
H8 H 0.075531 -0.065773 0.663879 0.059 Uiso 1 1 calc R U . . .
C16 C 0.1045(4) 0.2166(2) 0.81785(15) 0.0307(11) Uani 1 1 d . . . . .
C20 C -0.0023(5) 0.1920(2) 0.84152(16) 0.0385(12) Uani 1 1 d . . . . .
H20 H -0.084736 0.188597 0.827286 0.046 Uiso 1 1 calc R U . . .
C7 C 0.1237(4) -0.0308(2) 0.56073(14) 0.0284(10) Uani 1 1 d . . . . .
H7 H 0.139548 0.004852 0.541699 0.034 Uiso 1 1 calc R U . . .
C12 C 0.1342(4) -0.0992(2) 0.48957(14) 0.0302(10) Uani 1 1 d . . . . .
C1 C 0.3271(4) 0.0630(2) 0.71016(13) 0.0279(11) Uani 1 1 d . . . . .
H1 H 0.260846 0.086538 0.725094 0.033 Uiso 1 1 calc R U . . .
C14 C 0.1629(5) 0.2734(3) 0.69598(15) 0.0317(11) Uani 1 1 d . . . . .
C21 C -0.0025(5) 0.3349(2) 0.55558(17) 0.0461(14) Uani 1 1 d . . . . .
H21 H 0.063598 0.329799 0.577642 0.055 Uiso 1 1 calc R U . . .
C4 C 0.5218(5) -0.0025(3) 0.66610(17) 0.065(2) Uani 1 1 d . . . . .
H4 H 0.587995 -0.024661 0.650148 0.078 Uiso 1 1 calc R U . . .
C22 C -0.1838(4) 0.2955(2) 0.51751(13) 0.0264(10) Uani 1 1 d . . . . .
H22 H -0.246103 0.262544 0.513367 0.032 Uiso 1 1 calc R U . . .
N2 N 0.1092(4) -0.01984(17) 0.60610(11) 0.0279(9) Uani 1 1 d . . . . .
C17 C 0.2259(4) 0.2211(2) 0.84052(14) 0.0295(11) Uani 1 1 d . . . . .
H17 H 0.298424 0.237843 0.824605 0.035 Uiso 1 1 calc R U . . .
C19 C 0.0133(5) 0.1724(3) 0.88615(17) 0.0432(13) Uani 1 1 d . . . . .
H19 H -0.057913 0.155114 0.902503 0.052 Uiso 1 1 calc R U . . .
C25 C -0.0052(6) 0.3918(3) 0.53026(19) 0.0623(18) Uani 1 1 d . . . . .
H25 H 0.056539 0.424726 0.535610 0.075 Uiso 1 1 calc R U . . .
C15 C 0.0820(4) 0.2387(2) 0.76896(15) 0.0355(12) Uani 1 1 d . . . . .
C5 C 0.4080(5) 0.0167(3) 0.64435(15) 0.0442(14) Uani 1 1 d . . . . .
H5 H 0.397895 0.006628 0.613365 0.053 Uiso 1 1 calc R U . . .
C6 C 0.4456(5) 0.0601(2) 0.78589(14) 0.0301(11) Uani 1 1 d . . . . .
C18 C 0.1364(5) 0.1787(2) 0.90646(16) 0.0401(12) Uani 1 1 d . . . . .
H18 H 0.145906 0.165865 0.936961 0.048 Uiso 1 1 calc R U . . .
C24 C -0.1015(5) 0.3990(2) 0.49680(17) 0.0478(14) Uani 1 1 d . . . . .
H24 H -0.104412 0.436572 0.478907 0.057 Uiso 1 1 calc R U . . .
C10 C 0.0916(6) -0.1445(2) 0.56865(16) 0.0531(16) Uani 1 1 d . . . . .
H10 H 0.087061 -0.186309 0.556309 0.064 Uiso 1 1 calc R U . . .
C13 C 0.1076(4) 0.2214(2) 0.66364(14) 0.0258(10) Uani 1 1 d . . . . .
C9 C 0.0733(7) -0.1343(3) 0.61555(17) 0.068(2) Uani 1 1 d . . . . .
H9 H 0.053581 -0.168903 0.635045 0.082 Uiso 1 1 calc R U . . .
C26 C -0.2954(4) 0.3536(2) 0.45195(14) 0.0256(10) Uani 1 1 d . . . . .
O8 O -0.2761(3) 0.39875(14) 0.42327(9) 0.0277(7) Uani 1 1 d . . . . .
O9 O -0.3855(3) 0.31203(16) 0.45184(10) 0.0371(8) Uani 1 1 d . . . . .
O10 O -0.0567(3) 0.10271(16) 0.61192(11) 0.0269(7) Uani 1 1 d . . . . .
H4N H 0.262(4) 0.243(2) 0.7493(14) 0.025(13) Uiso 1 1 d . . . . .
H14B H 0.101(4) 0.310(2) 0.6971(14) 0.037(13) Uiso 1 1 d . . . . .
H14A H 0.251(5) 0.287(2) 0.6822(14) 0.039(13) Uiso 1 1 d . . . . .
H10A H -0.095(5) 0.077(3) 0.5921(18) 0.062(18) Uiso 1 1 d . . . . .
H10B H -0.100(5) 0.096(2) 0.6363(18) 0.057(18) Uiso 1 1 d . . . . .


_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 O8 2.021(3) 3_556 ?
Ni1 O2 2.030(3) 6_557 ?
Ni1 O7 2.078(3) . ?
Ni1 N1 2.082(3) . ?
Ni1 O10 2.084(3) . ?
Ni1 N2 2.123(4) . ?
Ni2 O6 2.005(3) . ?
Ni2 O3 2.036(3) 5_556 ?
Ni2 N3 2.097(3) . ?
Ni2 O9 2.101(3) 3_556 ?
Ni2 O10 2.107(3) . ?
Ni2 N5 2.132(3) 6_557 ?
O6 C13 1.264(5) . ?
O7 C13 1.247(5) . ?
O1 C6 1.241(5) . ?
O4 C12 1.245(5) . ?
O3 C12 1.262(5) . ?
O2 C6 1.256(5) . ?
N5 C18 1.340(5) . ?
N5 C17 1.345(5) . ?
N4 C15 1.320(6) . ?
N4 C14 1.445(6) . ?
O5 C15 1.223(5) . ?
N1 C5 1.332(5) . ?
N1 C1 1.342(5) . ?
N3 C21 1.329(6) . ?
N3 C22 1.343(5) . ?
C2 C1 1.369(6) . ?
C2 C3 1.377(6) . ?
C2 C6 1.520(6) . ?
C23 C24 1.375(6) . ?
C23 C22 1.376(6) . ?
C23 C26 1.516(5) . ?
C3 C4 1.383(6) . ?
C11 C7 1.373(6) . ?
C11 C10 1.375(6) . ?
C11 C12 1.513(6) . ?
C8 N2 1.337(5) . ?
C8 C9 1.371(7) . ?
C16 C20 1.372(6) . ?
C16 C17 1.391(6) . ?
C16 C15 1.509(6) . ?
C20 C19 1.368(6) . ?
C7 N2 1.346(5) . ?
C14 C13 1.526(6) . ?
C21 C25 1.380(7) . ?
C4 C5 1.366(6) . ?
C19 C18 1.378(6) . ?
C25 C24 1.381(6) . ?
C10 C9 1.392(6) . ?
C26 O9 1.245(5) . ?
C26 O8 1.260(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
O8 Ni1 O2 174.46(12) 3_556 6_557 ?
O8 Ni1 O7 93.96(12) 3_556 . ?
O2 Ni1 O7 88.67(12) 6_557 . ?
O8 Ni1 N1 90.97(12) 3_556 . ?
O2 Ni1 N1 84.32(12) 6_557 . ?
O7 Ni1 N1 86.57(13) . . ?
O8 Ni1 O10 94.09(12) 3_556 . ?
O2 Ni1 O10 90.78(12) 6_557 . ?
O7 Ni1 O10 89.90(13) . . ?
N1 Ni1 O10 174.03(13) . . ?
O8 Ni1 N2 87.53(12) 3_556 . ?
O2 Ni1 N2 89.69(13) 6_557 . ?
O7 Ni1 N2 177.67(13) . . ?
N1 Ni1 N2 91.62(14) . . ?
O10 Ni1 N2 91.77(14) . . ?
O6 Ni2 O3 173.97(13) . 5_556 ?
O6 Ni2 N3 89.72(13) . . ?
O3 Ni2 N3 85.84(13) 5_556 . ?
O6 Ni2 O9 91.49(12) . 3_556 ?
O3 Ni2 O9 84.22(13) 5_556 3_556 ?
N3 Ni2 O9 87.09(13) . 3_556 ?
O6 Ni2 O10 94.90(12) . . ?
O3 Ni2 O10 89.63(13) 5_556 . ?
N3 Ni2 O10 175.24(13) . . ?
O9 Ni2 O10 93.92(12) 3_556 . ?
O6 Ni2 N5 91.26(13) . 6_557 ?
O3 Ni2 N5 93.07(13) 5_556 6_557 ?
N3 Ni2 N5 93.48(14) . 6_557 ?
O9 Ni2 N5 177.19(14) 3_556 6_557 ?
O10 Ni2 N5 85.28(13) . 6_557 ?
C13 O6 Ni2 130.4(3) . . ?
C13 O7 Ni1 139.1(3) . . ?
C12 O3 Ni2 127.5(3) . 5_556 ?
C6 O2 Ni1 127.5(3) . 6_657 ?
C18 N5 C17 117.1(4) . . ?
C18 N5 Ni2 118.8(3) . 6_657 ?
C17 N5 Ni2 123.6(3) . 6_657 ?
C15 N4 C14 119.0(4) . . ?
C5 N1 C1 117.5(4) . . ?
C5 N1 Ni1 124.8(3) . . ?
C1 N1 Ni1 117.5(3) . . ?
C21 N3 C22 117.2(4) . . ?
C21 N3 Ni2 121.6(3) . . ?
C22 N3 Ni2 120.6(3) . . ?
C1 C2 C3 118.2(4) . . ?
C1 C2 C6 120.2(4) . . ?
C3 C2 C6 121.6(4) . . ?
C24 C23 C22 117.7(4) . . ?
C24 C23 C26 121.6(4) . . ?
C22 C23 C26 120.6(4) . . ?
C2 C3 C4 119.2(5) . . ?
C7 C11 C10 118.7(4) . . ?
C7 C11 C12 120.1(4) . . ?
C10 C11 C12 121.2(4) . . ?
N2 C8 C9 123.8(4) . . ?
C20 C16 C17 118.3(4) . . ?
C20 C16 C15 117.7(4) . . ?
C17 C16 C15 123.9(4) . . ?
C19 C20 C16 119.6(4) . . ?
N2 C7 C11 123.8(4) . . ?
O4 C12 O3 126.0(4) . . ?
O4 C12 C11 118.9(4) . . ?
O3 C12 C11 115.1(4) . . ?
N1 C1 C2 123.3(4) . . ?
N4 C14 C13 113.5(4) . . ?
N3 C21 C25 122.9(4) . . ?
C5 C4 C3 118.6(5) . . ?
N3 C22 C23 124.0(4) . . ?
C8 N2 C7 116.5(4) . . ?
C8 N2 Ni1 121.3(3) . . ?
C7 N2 Ni1 122.2(3) . . ?
N5 C17 C16 122.9(4) . . ?
C20 C19 C18 118.8(5) . . ?
C21 C25 C24 118.7(5) . . ?
O5 C15 N4 121.4(4) . . ?
O5 C15 C16 119.2(4) . . ?
N4 C15 C16 119.4(4) . . ?
N1 C5 C4 123.1(4) . . ?
O1 C6 O2 126.3(4) . . ?
O1 C6 C2 118.9(4) . . ?
O2 C6 C2 114.9(4) . . ?
N5 C18 C19 123.2(4) . . ?
C23 C24 C25 119.5(5) . . ?
C11 C10 C9 118.6(5) . . ?
O7 C13 O6 127.2(4) . . ?
O7 C13 C14 118.0(4) . . ?
O6 C13 C14 114.8(4) . . ?
C8 C9 C10 118.6(5) . . ?
O9 C26 O8 127.8(4) . . ?
O9 C26 C23 117.6(4) . . ?
O8 C26 C23 114.6(4) . . ?
C26 O8 Ni1 133.2(3) . 3_456 ?
C26 O9 Ni2 134.1(3) . 3_456 ?
Ni1 O10 Ni2 115.61(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
C1 C2 C3 C4 -1.5(9) . . . . ?
C6 C2 C3 C4 178.7(5) . . . . ?
C17 C16 C20 C19 -0.3(7) . . . . ?
C15 C16 C20 C19 -179.0(5) . . . . ?
C10 C11 C7 N2 0.7(7) . . . . ?
C12 C11 C7 N2 -179.9(4) . . . . ?
Ni2 O3 C12 O4 -37.4(7) 5_556 . . . ?
Ni2 O3 C12 C11 141.5(3) 5_556 . . . ?
C7 C11 C12 O4 -10.9(7) . . . . ?
C10 C11 C12 O4 168.5(5) . . . . ?
C7 C11 C12 O3 170.1(4) . . . . ?
C10 C11 C12 O3 -10.5(7) . . . . ?
C5 N1 C1 C2 -1.4(7) . . . . ?
Ni1 N1 C1 C2 174.7(4) . . . . ?
C3 C2 C1 N1 2.3(8) . . . . ?
C6 C2 C1 N1 -178.0(4) . . . . ?
C15 N4 C14 C13 -72.6(6) . . . . ?
C22 N3 C21 C25 0.5(8) . . . . ?
Ni2 N3 C21 C25 171.9(4) . . . . ?
C2 C3 C4 C5 0.1(10) . . . . ?
C21 N3 C22 C23 0.5(6) . . . . ?
Ni2 N3 C22 C23 -171.0(3) . . . . ?
C24 C23 C22 N3 -0.7(7) . . . . ?
C26 C23 C22 N3 175.2(4) . . . . ?
C9 C8 N2 C7 -0.7(8) . . . . ?
C9 C8 N2 Ni1 -178.5(5) . . . . ?
C11 C7 N2 C8 -0.7(7) . . . . ?
C11 C7 N2 Ni1 177.0(3) . . . . ?
C18 N5 C17 C16 -0.2(7) . . . . ?
Ni2 N5 C17 C16 171.5(3) 6_657 . . . ?
C20 C16 C17 N5 0.1(7) . . . . ?
C15 C16 C17 N5 178.6(4) . . . . ?
C16 C20 C19 C18 0.8(8) . . . . ?
N3 C21 C25 C24 -1.3(9) . . . . ?
C14 N4 C15 O5 1.2(8) . . . . ?
C14 N4 C15 C16 -177.8(4) . . . . ?
C20 C16 C15 O5 14.7(7) . . . . ?
C17 C16 C15 O5 -163.9(5) . . . . ?
C20 C16 C15 N4 -166.3(5) . . . . ?
C17 C16 C15 N4 15.2(7) . . . . ?
C1 N1 C5 C4 -0.1(8) . . . . ?
Ni1 N1 C5 C4 -176.0(5) . . . . ?
C3 C4 C5 N1 0.8(10) . . . . ?
Ni1 O2 C6 O1 -21.2(7) 6_657 . . . ?
Ni1 O2 C6 C2 159.2(3) 6_657 . . . ?
C1 C2 C6 O1 0.9(7) . . . . ?
C3 C2 C6 O1 -179.4(5) . . . . ?
C1 C2 C6 O2 -179.4(4) . . . . ?
C3 C2 C6 O2 0.3(7) . . . . ?
C17 N5 C18 C19 0.6(7) . . . . ?
Ni2 N5 C18 C19 -171.5(4) 6_657 . . . ?
C20 C19 C18 N5 -0.9(8) . . . . ?
C22 C23 C24 C25 -0.2(8) . . . . ?
C26 C23 C24 C25 -176.1(5) . . . . ?
C21 C25 C24 C23 1.2(9) . . . . ?
C7 C11 C10 C9 0.7(8) . . . . ?
C12 C11 C10 C9 -178.6(5) . . . . ?
Ni1 O7 C13 O6 -1.6(7) . . . . ?
Ni1 O7 C13 C14 -179.9(3) . . . . ?
Ni2 O6 C13 O7 -6.2(6) . . . . ?
Ni2 O6 C13 C14 172.1(3) . . . . ?
N4 C14 C13 O7 -41.2(6) . . . . ?
N4 C14 C13 O6 140.3(4) . . . . ?
N2 C8 C9 C10 2.1(10) . . . . ?
C11 C10 C9 C8 -2.0(10) . . . . ?
C24 C23 C26 O9 -170.8(4) . . . . ?
C22 C23 C26 O9 13.5(6) . . . . ?
C24 C23 C26 O8 10.5(6) . . . . ?
C22 C23 C26 O8 -165.2(4) . . . . ?
O9 C26 O8 Ni1 -1.9(7) . . . 3_456 ?
C23 C26 O8 Ni1 176.7(3) . . . 3_456 ?
O8 C26 O9 Ni2 -15.4(7) . . . 3_456 ?
C23 C26 O9 Ni2 166.0(3) . . . 3_456 ?

_refine_diff_density_max         0.492
_refine_diff_density_min         -0.501
_refine_diff_density_rms         0.096



# start Validation Reply Form
_vrf_PLAT430_shelx               
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PROBLEM: Short Inter D...A Contact O3 ..O9 . 2.78 Ang.
RESPONSE: Due to steric crowding around metal ions
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_vrf_PLAT601_shelx               
;
PROBLEM: Unit Cell Contains Solvent Accessible VOIDS of . 199 Ang**3
RESPONSE: This is common for extended metal-organic solids 
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# end Validation Reply Form
