# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_bluegreen_data1_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2211568'
loop_
_audit_author_name
_audit_author_address
'Dr Rajesh G Gonnade'
;CSIR NATIONAL CHEMICAL LABORATORY PUNE INDIA
India
;
_audit_update_record             
;
2022-10-07 deposited with the CCDC.	2023-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H16 Cl2 N4 Ni O2, C H2 Cl2'
_chemical_formula_sum            'C21 H18 Cl4 N4 Ni O2'
_chemical_formula_weight         558.90

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'
Cl Cl 0.1484 0.1585 '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'
Ni Ni 0.3393 1.1124 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'

_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, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   19.3515(14)
_cell_length_b                   10.4522(8)
_cell_length_c                   11.3070(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2287.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9981
_cell_measurement_theta_min      2.77
_cell_measurement_theta_max      30.54

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.623
_exptl_crystal_F_000             1136
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    1.343
_shelx_estimated_absorpt_T_min   0.673
_shelx_estimated_absorpt_T_max   0.766
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6474
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   'SADABS (BRUKER, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro-focus sealed tube'
_diffrn_radiation_monochromator  'multilayer mirrors'
_diffrn_source_type              'Incoatech I\mS HB'
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo PHOTON II CPAD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector                 'Photon II CPAD Area Detector'
_diffrn_detector_area_resol_mean 7.39
_diffrn_reflns_number            92687
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_av_R_equivalents  0.0621
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.771
_diffrn_reflns_theta_max         30.585
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             6985
_reflns_number_gt                6522
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.912
_reflns_Friedel_fraction_max     0.996
_reflns_Friedel_fraction_full    0.998

_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       'APEX3 (Bruker, 2016)'
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_reduction        'SAINT (Bruker, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL, Mercury 2020.20'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0258P)²+0.8814P] 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     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2946 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.010(4)
_chemical_absolute_configuration .
_refine_ls_number_reflns         6985
_refine_ls_number_parameters     297
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0246
_refine_ls_wR_factor_ref         0.0610
_refine_ls_wR_factor_gt          0.0575
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.001
_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 0.36102(2) 0.83167(3) 0.64947(3) 0.00988(6) Uani 1 1 d . . . . .
Cl1 Cl 0.35879(3) 1.05998(5) 0.68995(5) 0.01547(11) Uani 1 1 d . . . . .
Cl2 Cl 0.24147(3) 0.80671(6) 0.71106(5) 0.01560(11) Uani 1 1 d . . . . .
O1 O 0.31613(10) 0.7813(2) 0.93731(18) 0.0262(4) Uani 1 1 d D . . . .
H1 H 0.293(2) 0.782(5) 0.874(3) 0.056(14) Uiso 1 1 d D . . . .
O2 O 0.31133(11) 1.05090(18) 0.44520(18) 0.0231(4) Uani 1 1 d D . . . .
H20 H 0.3208(19) 1.044(4) 0.518(2) 0.030(10) Uiso 1 1 d D . . . .
N1 N 0.41140(10) 0.81246(19) 0.81656(19) 0.0130(4) Uani 1 1 d . . . . .
N2 N 0.46357(10) 0.84591(19) 0.5996(2) 0.0137(4) Uani 1 1 d . . . . .
N3 N 0.36272(10) 0.63904(19) 0.61150(18) 0.0125(4) Uani 1 1 d . . . . .
N4 N 0.32330(10) 0.83246(19) 0.47267(19) 0.0131(4) Uani 1 1 d . . . . .
C1 C 0.38382(13) 0.8010(2) 0.9246(2) 0.0164(5) Uani 1 1 d . . . . .
C2 C 0.42268(14) 0.8067(3) 1.0289(2) 0.0204(5) Uani 1 1 d . . . . .
H2 H 0.4010 0.7999 1.1040 0.024 Uiso 1 1 calc R U . . .
C3 C 0.49283(15) 0.8222(3) 1.0200(3) 0.0228(5) Uani 1 1 d . . . . .
H3 H 0.5206 0.8258 1.0892 0.027 Uiso 1 1 calc R U . . .
C4 C 0.52297(14) 0.8328(3) 0.9089(3) 0.0204(5) Uani 1 1 d . . . . .
H4 H 0.5716 0.8428 0.9014 0.024 Uiso 1 1 calc R U . . .
C5 C 0.48159(13) 0.8287(2) 0.8097(2) 0.0140(5) Uani 1 1 d . . . . .
C6 C 0.51007(12) 0.8414(2) 0.6886(2) 0.0155(4) Uani 1 1 d . . . . .
C7 C 0.58100(12) 0.8475(3) 0.6670(3) 0.0213(6) Uani 1 1 d . . . . .
H7 H 0.6131 0.8434 0.7305 0.026 Uiso 1 1 calc R U . . .
C8 C 0.60389(14) 0.8598(3) 0.5510(3) 0.0265(6) Uani 1 1 d . . . . .
H8 H 0.6519 0.8653 0.5344 0.032 Uiso 1 1 calc R U . . .
C9 C 0.55640(14) 0.8638(3) 0.4602(3) 0.0230(5) Uani 1 1 d . . . . .
H9 H 0.5710 0.8716 0.3803 0.028 Uiso 1 1 calc R U . . .
C10 C 0.48657(14) 0.8562(3) 0.4884(2) 0.0185(5) Uani 1 1 d . . . . .
H10 H 0.4537 0.8583 0.4259 0.022 Uiso 1 1 calc R U . . .
C11 C 0.38483(12) 0.5476(2) 0.6854(2) 0.0165(4) Uani 1 1 d . . . . .
H11 H 0.4036 0.5721 0.7596 0.020 Uiso 1 1 calc R U . . .
C12 C 0.38134(12) 0.4183(2) 0.6575(3) 0.0201(5) Uani 1 1 d . . . . .
H12 H 0.3974 0.3555 0.7116 0.024 Uiso 1 1 calc R U . . .
C13 C 0.35398(14) 0.3831(2) 0.5492(3) 0.0218(5) Uani 1 1 d . . . . .
H13 H 0.3508 0.2954 0.5279 0.026 Uiso 1 1 calc R U . . .
C14 C 0.33133(13) 0.4774(2) 0.4721(3) 0.0198(5) Uani 1 1 d . . . . .
H14 H 0.3123 0.4549 0.3975 0.024 Uiso 1 1 calc R U . . .
C15 C 0.33679(12) 0.6057(2) 0.5052(2) 0.0145(4) Uani 1 1 d . . . . .
C16 C 0.31542(12) 0.7123(2) 0.4271(2) 0.0151(4) Uani 1 1 d . . . . .
C17 C 0.29064(14) 0.6910(3) 0.3142(2) 0.0219(5) Uani 1 1 d . . . . .
H17 H 0.2848 0.6063 0.2854 0.026 Uiso 1 1 calc R U . . .
C18 C 0.27437(14) 0.7955(3) 0.2435(3) 0.0250(6) Uani 1 1 d . . . . .
H18 H 0.2582 0.7829 0.1651 0.030 Uiso 1 1 calc R U . . .
C19 C 0.28188(14) 0.9173(3) 0.2878(2) 0.0220(5) Uani 1 1 d . . . . .
H19 H 0.2712 0.9898 0.2406 0.026 Uiso 1 1 calc R U . . .
C20 C 0.30571(12) 0.9317(3) 0.4041(2) 0.0168(5) Uani 1 1 d . . . . .
Cl3 Cl 0.43401(4) 0.50440(9) 0.22159(8) 0.03767(18) Uani 1 1 d . . . . .
Cl4 Cl 0.46087(4) 0.47371(8) -0.02973(7) 0.03200(16) Uani 1 1 d . . . . .
C21 C 0.39616(16) 0.4859(3) 0.0811(3) 0.0285(6) Uani 1 1 d . . . . .
H21A H 0.3660 0.5602 0.0640 0.034 Uiso 1 1 calc R U . . .
H21B H 0.3672 0.4079 0.0803 0.034 Uiso 1 1 calc R U . . .


_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 N3 2.059(2) . ?
Ni1 N2 2.069(2) . ?
Ni1 N4 2.128(2) . ?
Ni1 N1 2.135(2) . ?
Ni1 Cl2 2.4300(6) . ?
Ni1 Cl1 2.4302(6) . ?
O1 C1 1.334(3) . ?
O1 H1 0.85(2) . ?
O2 C20 1.334(3) . ?
O2 H20 0.84(2) . ?
N1 C1 1.339(3) . ?
N1 C5 1.371(3) . ?
N2 C10 1.338(3) . ?
N2 C6 1.351(3) . ?
N3 C11 1.339(3) . ?
N3 C15 1.349(3) . ?
N4 C20 1.339(3) . ?
N4 C16 1.366(3) . ?
C1 C2 1.400(3) . ?
C2 C3 1.371(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.390(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.482(4) . ?
C6 C7 1.396(3) . ?
C7 C8 1.390(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.379(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.391(4) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.389(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.384(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.386(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.396(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.481(4) . ?
C16 C17 1.382(4) . ?
C17 C18 1.390(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.375(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.402(4) . ?
C19 H19 0.9500 . ?
Cl3 C21 1.760(3) . ?
Cl4 C21 1.776(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?

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
N3 Ni1 N2 89.89(8) . . ?
N3 Ni1 N4 79.25(8) . . ?
N2 Ni1 N4 94.15(8) . . ?
N3 Ni1 N1 94.89(8) . . ?
N2 Ni1 N1 79.06(8) . . ?
N4 Ni1 N1 171.11(8) . . ?
N3 Ni1 Cl2 88.28(6) . . ?
N2 Ni1 Cl2 177.78(6) . . ?
N4 Ni1 Cl2 86.74(6) . . ?
N1 Ni1 Cl2 99.85(6) . . ?
N3 Ni1 Cl1 178.81(6) . . ?
N2 Ni1 Cl1 89.87(6) . . ?
N4 Ni1 Cl1 99.61(6) . . ?
N1 Ni1 Cl1 86.21(6) . . ?
Cl2 Ni1 Cl1 91.98(2) . . ?
C1 O1 H1 116(3) . . ?
C20 O2 H20 106(3) . . ?
C1 N1 C5 117.2(2) . . ?
C1 N1 Ni1 129.35(17) . . ?
C5 N1 Ni1 112.97(17) . . ?
C10 N2 C6 118.8(2) . . ?
C10 N2 Ni1 125.54(18) . . ?
C6 N2 Ni1 115.68(17) . . ?
C11 N3 C15 119.4(2) . . ?
C11 N3 Ni1 124.94(17) . . ?
C15 N3 Ni1 115.65(16) . . ?
C20 N4 C16 117.7(2) . . ?
C20 N4 Ni1 129.35(17) . . ?
C16 N4 Ni1 112.89(16) . . ?
O1 C1 N1 120.2(2) . . ?
O1 C1 C2 116.3(2) . . ?
N1 C1 C2 123.4(2) . . ?
C3 C2 C1 118.4(3) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C2 C3 C4 119.4(2) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 119.3(2) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
N1 C5 C4 122.2(2) . . ?
N1 C5 C6 115.6(2) . . ?
C4 C5 C6 122.2(2) . . ?
N2 C6 C7 121.6(2) . . ?
N2 C6 C5 116.3(2) . . ?
C7 C6 C5 122.1(2) . . ?
C8 C7 C6 118.8(3) . . ?
C8 C7 H7 120.6 . . ?
C6 C7 H7 120.6 . . ?
C9 C8 C7 119.6(2) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C8 C9 C10 118.4(3) . . ?
C8 C9 H9 120.8 . . ?
C10 C9 H9 120.8 . . ?
N2 C10 C9 122.9(3) . . ?
N2 C10 H10 118.5 . . ?
C9 C10 H10 118.5 . . ?
N3 C11 C12 122.5(2) . . ?
N3 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
C13 C12 C11 118.6(3) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
C12 C13 C14 119.2(2) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C13 C14 C15 119.4(3) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
N3 C15 C14 121.0(2) . . ?
N3 C15 C16 116.2(2) . . ?
C14 C15 C16 122.8(2) . . ?
N4 C16 C17 122.4(2) . . ?
N4 C16 C15 115.8(2) . . ?
C17 C16 C15 121.8(2) . . ?
C16 C17 C18 118.9(3) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
C19 C18 C17 119.6(3) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C20 118.4(3) . . ?
C18 C19 H19 120.8 . . ?
C20 C19 H19 120.8 . . ?
O2 C20 N4 120.1(2) . . ?
O2 C20 C19 117.0(2) . . ?
N4 C20 C19 122.9(2) . . ?
Cl3 C21 Cl4 110.56(17) . . ?
Cl3 C21 H21A 109.5 . . ?
Cl4 C21 H21A 109.5 . . ?
Cl3 C21 H21B 109.5 . . ?
Cl4 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?

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
C5 N1 C1 O1 -178.1(2) . . . . ?
Ni1 N1 C1 O1 10.1(4) . . . . ?
C5 N1 C1 C2 0.9(4) . . . . ?
Ni1 N1 C1 C2 -170.91(19) . . . . ?
O1 C1 C2 C3 177.7(2) . . . . ?
N1 C1 C2 C3 -1.3(4) . . . . ?
C1 C2 C3 C4 0.5(4) . . . . ?
C2 C3 C4 C5 0.6(4) . . . . ?
C1 N1 C5 C4 0.3(3) . . . . ?
Ni1 N1 C5 C4 173.4(2) . . . . ?
C1 N1 C5 C6 -179.8(2) . . . . ?
Ni1 N1 C5 C6 -6.7(3) . . . . ?
C3 C4 C5 N1 -1.0(4) . . . . ?
C3 C4 C5 C6 179.0(2) . . . . ?
C10 N2 C6 C7 0.2(3) . . . . ?
Ni1 N2 C6 C7 178.77(18) . . . . ?
C10 N2 C6 C5 -179.4(2) . . . . ?
Ni1 N2 C6 C5 -0.8(3) . . . . ?
N1 C5 C6 N2 5.1(3) . . . . ?
C4 C5 C6 N2 -175.0(2) . . . . ?
N1 C5 C6 C7 -174.4(2) . . . . ?
C4 C5 C6 C7 5.5(4) . . . . ?
N2 C6 C7 C8 0.6(4) . . . . ?
C5 C6 C7 C8 -179.8(2) . . . . ?
C6 C7 C8 C9 -0.9(4) . . . . ?
C7 C8 C9 C10 0.3(4) . . . . ?
C6 N2 C10 C9 -0.7(4) . . . . ?
Ni1 N2 C10 C9 -179.2(2) . . . . ?
C8 C9 C10 N2 0.4(4) . . . . ?
C15 N3 C11 C12 -0.9(3) . . . . ?
Ni1 N3 C11 C12 176.43(18) . . . . ?
N3 C11 C12 C13 0.0(4) . . . . ?
C11 C12 C13 C14 0.3(4) . . . . ?
C12 C13 C14 C15 0.2(4) . . . . ?
C11 N3 C15 C14 1.4(3) . . . . ?
Ni1 N3 C15 C14 -176.17(18) . . . . ?
C11 N3 C15 C16 -178.2(2) . . . . ?
Ni1 N3 C15 C16 4.3(3) . . . . ?
C13 C14 C15 N3 -1.0(4) . . . . ?
C13 C14 C15 C16 178.5(2) . . . . ?
C20 N4 C16 C17 0.3(4) . . . . ?
Ni1 N4 C16 C17 179.1(2) . . . . ?
C20 N4 C16 C15 178.9(2) . . . . ?
Ni1 N4 C16 C15 -2.4(3) . . . . ?
N3 C15 C16 N4 -1.1(3) . . . . ?
C14 C15 C16 N4 179.3(2) . . . . ?
N3 C15 C16 C17 177.4(2) . . . . ?
C14 C15 C16 C17 -2.2(4) . . . . ?
N4 C16 C17 C18 1.3(4) . . . . ?
C15 C16 C17 C18 -177.1(2) . . . . ?
C16 C17 C18 C19 -1.3(4) . . . . ?
C17 C18 C19 C20 -0.2(4) . . . . ?
C16 N4 C20 O2 178.9(2) . . . . ?
Ni1 N4 C20 O2 0.4(3) . . . . ?
C16 N4 C20 C19 -2.0(4) . . . . ?
Ni1 N4 C20 C19 179.52(18) . . . . ?
C18 C19 C20 O2 -178.9(2) . . . . ?
C18 C19 C20 N4 2.0(4) . . . . ?

_refine_diff_density_max         0.352
_refine_diff_density_min         -0.645
_refine_diff_density_rms         0.064

