# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_xstr0754
_database_code_depnum_ccdc_archive 'CCDC 1978578'
loop_
_audit_author_name
_audit_author_address
'Caroline Knapp'
;University College London
United Kingdom
;
_audit_update_record             
;
2020-01-17 deposited with the CCDC.	2021-06-15 downloaded from the CCDC.
;
_audit_creation_date             2020-01-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        'Nickel bisdimetylaminopropanoto'
_chemical_formula_moiety         'C12 H28 N2 Ni O2'
_chemical_formula_sum            'C12 H28 N2 Ni O2'
_chemical_formula_weight         291.07
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Ni N2 C12 O2'
_chemical_oxdiff_usercomment     'Ni(dmamp)2 RW15 in THF'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   7.29170(10)
_cell_length_b                   10.68490(10)
_cell_length_c                   17.7929(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1386.26(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11656
_cell_measurement_temperature    150.5(7)
_cell_measurement_theta_max      74.1190
_cell_measurement_theta_min      7.8320
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.965
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.746
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.57a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             632
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 6 4 0.0534
-3 5 -3 0.0577
4 -3 4 0.0649
1 -7 0 0.0558
-2 -6 -4 0.0649
-1 1 11 0.0353
0 -1 -11 0.0279
1 0 -11 0.0299
1 1 11 0.0452
5 1 2 0.0680
-4 -1 7 0.0609
-2 -1 -10 0.0423
-5 -1 -2 0.0664
3 4 -6 0.0469
-2 2 -10 0.0361
-3 3 8 0.0493
1 4 10 0.0446
1 -4 -9 0.0418

_exptl_crystal_preparation       
'reaction of nickel chloride with Na salt of DMAP'
_exptl_crystal_recrystallization_method 'crystallised from THF'
_exptl_crystal_size_max          0.141
_exptl_crystal_size_mid          0.128
_exptl_crystal_size_min          0.064
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2.2434 5.6292 3.9333 -0.2918 -0.6168 0.7310
-3.2958 4.6944 -2.7696 -0.3526 -0.7381 -0.5752
3.8056 -3.4992 3.6438 0.2913 0.6086 0.7380
1.0456 -6.7610 -0.3449 0.4296 0.9028 -0.0203
-2.0832 -5.7957 -3.7844 0.3053 0.6449 -0.7007
-0.5155 0.5863 11.4389 0.7779 -0.5130 0.3628
0.0064 -0.7223 -11.4862 -0.7403 0.4879 -0.4624
1.4934 -0.2999 -10.9483 -0.8244 0.5442 -0.1553
1.4648 1.0659 10.8372 0.5810 -0.3821 0.7186
4.5454 1.3348 2.3328 -0.2127 0.1429 0.9666
-3.6706 -0.5024 7.2454 0.7598 -0.5029 -0.4120
-2.0658 -1.1829 -10.2019 -0.4921 0.3231 -0.8083
-4.5520 -1.3319 -2.2591 0.2180 -0.1464 -0.9649
2.7761 4.4883 -5.6242 -0.8982 -0.1023 0.4274
-1.7280 2.4601 -9.9433 -0.7725 -0.0900 -0.6286
-2.5892 3.4508 7.7756 0.4299 -0.8997 -0.0757
0.5377 3.7198 9.6560 0.3522 -0.7339 0.5807
1.4709 -3.7671 -9.0073 -0.4241 0.8861 -0.1871

_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_av_unetI/netI     0.0078
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19513
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.487
_diffrn_reflns_theta_min         7.857
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.5(7)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2031
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -41.00 -14.00   1.00    1.00    --  -42.62 -57.00  30.00   27
  2  ω    -60.00 -26.00   1.00    1.00    --  -42.62 -38.00 120.00   34
  3  ω    -71.00 -10.00   1.00    1.00    --  -42.62 -77.00 120.00   61
  4  ω    -85.00 -58.00   1.00    1.00    --  -42.62 -57.00  30.00   27
  5  ω   -111.00 -10.00   1.00    1.00    --  -42.62 -77.00 -60.00  101
  6  ω    -43.00 -18.00   1.00    1.00    --  -42.62 -38.00-120.00   25
  7  ω    -69.00 -10.00   1.00    1.00    --  -42.62 -77.00-150.00   59
  8  ω      1.00  63.00   1.00    1.00    --   42.62 -99.00-120.00   62
  9  ω     36.00 136.00   1.00    1.88    --  107.94 -61.00 -30.00  100
 10  ω     78.00 104.00   1.00    1.88    --  107.94 -95.00  30.00   26
 11  ω     26.00 106.00   1.00    1.88    --  107.94 -95.00 -60.00   80
 12  ω     35.00 114.00   1.00    1.88    --  107.94-125.00-180.00   79
 13  ω     34.00 106.00   1.00    1.88    --  107.94 -95.00-150.00   72
 14  ω     24.00  84.00   1.00    1.00    --   42.62-125.00  30.00   60
 15  ω      1.00  57.00   1.00    1.00    --   42.62 -99.00 150.00   56
 16  ω     79.00 105.00   1.00    1.88    --  107.94  61.00 120.00   26
 17  ω     77.00 172.00   1.00    1.88    --  107.94  74.00 170.25   95
 18  ω    132.00 173.00   1.00    1.88    --  107.94  77.00  30.00   41
 19  ω    147.00 176.00   1.00    1.88    --  107.94  61.00 -60.00   29
 20  ω    153.00 178.00   1.00    1.88    --  107.94  61.00-120.00   25
 21  ω     79.00 164.00   1.00    1.88    --  107.94  61.00 -90.00   85
 22  ω     79.00 106.00   1.00    1.88    --  107.94  61.00-120.00   27
 23  ω     79.00 173.00   1.00    1.88    --  107.94  61.00-141.85   94
 24  ω     79.00 105.00   1.00    1.88    --  107.94  61.00   0.00   26
 25  ω     80.00 105.00   1.00    1.88    --  107.94  61.00  30.00   25
 26  ω     79.00 128.00   1.00    1.88    --  107.94  61.00  60.00   49
 27  ω     75.00 176.00   1.00    1.88    --  107.94  77.00   0.00  101
 28  ω     82.00 109.00   1.00    1.88    --  107.94  61.00 -60.00   27
 29  ω     75.00 101.00   1.00    1.88    --  107.94  77.00 -90.00   26
 30  ω     76.00 157.00   1.00    1.88    --  107.94  73.00 -36.61   81
 31  ω     78.00 105.00   1.00    1.88    --  107.94  77.00-180.00   27
 32  ω     75.00 101.00   1.00    1.88    --  107.94  77.00-150.00   26
 33  ω     75.00 101.00   1.00    1.88    --  107.94  77.00-120.00   26
 34  ω     75.00 126.00   1.00    1.88    --  107.94  77.00 -60.00   51
 35  ω     79.00 105.00   1.00    1.88    --  107.94  62.00  11.05   26
 36  ω     75.00 101.00   1.00    1.88    --  107.94  77.00  30.00   26
 37  ω     75.00 102.00   1.00    1.88    --  107.94  77.00  60.00   27
 38  ω     79.00 139.00   1.00    1.88    --  107.94  61.00  90.00   60
 39  ω     80.00 178.00   1.00    1.88    --  107.94  62.00 105.87   98
 40  ω     79.00 114.00   1.00    1.88    --  107.94  61.00 150.00   35
 41  ω     76.00 140.00   1.00    1.88    --  107.94  77.00 150.00   64
 42  ω     76.00 102.00   1.00    1.88    --  107.94  77.00 120.00   26
 43  ω     76.00 101.00   1.00    1.88    --  107.94  77.00 -30.00   25
 44  ω    -65.00  31.00   1.00    1.00    --  -42.62  38.00  60.00   96
 45  ω   -106.00 -61.00   1.00    1.00    --  -42.62 -38.00-120.00   45
 46  ω   -118.00 -10.00   1.00    1.00    --  -42.62 -77.00  30.00  108
 47  ω   -111.00 -79.00   1.00    1.00    --  -42.62 -38.00 120.00   32
 48  ω   -119.00 -88.00   1.00    1.00    --  -42.62 -77.00 120.00   31
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0599122000
_diffrn_orient_matrix_UB_12      -0.0763341000
_diffrn_orient_matrix_UB_13      0.0692205000
_diffrn_orient_matrix_UB_21      0.0842476000
_diffrn_orient_matrix_UB_22      -0.1187191000
_diffrn_orient_matrix_UB_23      -0.0349657000
_diffrn_orient_matrix_UB_31      0.1842223000
_diffrn_orient_matrix_UB_32      0.0295340000
_diffrn_orient_matrix_UB_33      0.0385066000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1314
_reflns_number_total             1410
_reflns_odcompleteness_completeness 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.353
_refine_diff_density_min         -0.195
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     135
_refine_ls_number_reflns         1410
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0224
_refine_ls_R_factor_gt           0.0209
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0313P)²+0.3982P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0566
_refine_ls_wR_factor_ref         0.0582
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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 0.5000 0.5000 0.5000 0.01341(11) Uani 1 2 d S T P . .
O1 O 0.42286(11) 0.33909(6) 0.51972(4) 0.02096(17) Uani 1 1 d . . . . .
N1 N 0.54181(12) 0.44988(8) 0.39575(4) 0.01500(18) Uani 1 1 d . . . . .
C1 C 0.41816(14) 0.33640(9) 0.38464(5) 0.0171(2) Uani 1 1 d . . . . .
C2 C 0.44161(16) 0.26084(9) 0.45713(6) 0.0201(2) Uani 1 1 d . . . . .
H2A H 0.5625(19) 0.2186(13) 0.4564(7) 0.022(3) Uiso 1 1 d . . . . .
H2B H 0.3469(19) 0.1932(13) 0.4570(7) 0.025(3) Uiso 1 1 d . . . . .
C3 C 0.21874(15) 0.38052(11) 0.37904(6) 0.0238(2) Uani 1 1 d . . . . .
H3A H 0.189(2) 0.4413(13) 0.4180(8) 0.028(3) Uiso 1 1 d . . . . .
H3B H 0.1928(19) 0.4182(13) 0.3304(8) 0.030(3) Uiso 1 1 d . . . . .
H3C H 0.142(2) 0.3093(14) 0.3868(8) 0.035(4) Uiso 1 1 d . . . . .
C4 C 0.46966(16) 0.25846(11) 0.31558(7) 0.0235(2) Uani 1 1 d . . . . .
H4A H 0.591(2) 0.2208(14) 0.3196(8) 0.038(4) Uiso 1 1 d . . . . .
H4B H 0.384(2) 0.1906(14) 0.3101(8) 0.032(3) Uiso 1 1 d . . . . .
H4C H 0.470(2) 0.3056(15) 0.2697(9) 0.033(4) Uiso 1 1 d . . . . .
C5 C 0.50666(15) 0.55043(11) 0.34048(6) 0.0214(2) Uani 1 1 d . . . . .
H5A H 0.5203(17) 0.5191(14) 0.2890(10) 0.026(4) Uiso 1 1 d . . . . .
H5B H 0.593(2) 0.6166(13) 0.3489(8) 0.029(3) Uiso 1 1 d . . . . .
H5C H 0.384(2) 0.5829(12) 0.3472(7) 0.026(3) Uiso 1 1 d . . . . .
C6 C 0.74024(14) 0.41801(10) 0.39035(6) 0.0213(2) Uani 1 1 d . . . . .
H6A H 0.809(2) 0.4872(13) 0.4088(8) 0.028(4) Uiso 1 1 d . . . . .
H6B H 0.7734(19) 0.4043(12) 0.3368(8) 0.027(3) Uiso 1 1 d . . . . .
H6C H 0.768(2) 0.3453(13) 0.4202(7) 0.027(3) 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 O1 1.8427(7) . ?
Ni1 O1 1.8427(7) 5_666 ?
Ni1 N1 1.9545(8) 5_666 ?
Ni1 N1 1.9546(8) . ?
O1 C2 1.3992(12) . ?
N1 C1 1.5239(12) . ?
N1 C5 1.4788(13) . ?
N1 C6 1.4896(13) . ?
C1 C2 1.5313(14) . ?
C1 C3 1.5319(14) . ?
C1 C4 1.5311(14) . ?
C2 H2A 0.990(14) . ?
C2 H2B 1.000(14) . ?
C3 H3A 0.975(14) . ?
C3 H3B 0.974(14) . ?
C3 H3C 0.956(16) . ?
C4 H4A 0.974(16) . ?
C4 H4B 0.961(15) . ?
C4 H4C 0.960(16) . ?
C5 H5A 0.980(18) . ?
C5 H5B 0.960(15) . ?
C5 H5C 0.966(14) . ?
C6 H6A 0.950(15) . ?
C6 H6B 0.994(13) . ?
C6 H6C 0.964(14) . ?

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 O1 180.0 . 5_666 ?
O1 Ni1 N1 88.43(3) 5_666 5_666 ?
O1 Ni1 N1 91.57(3) . 5_666 ?
O1 Ni1 N1 91.57(3) 5_666 . ?
O1 Ni1 N1 88.43(3) . . ?
N1 Ni1 N1 180.00(5) 5_666 . ?
C2 O1 Ni1 112.10(6) . . ?
C1 N1 Ni1 104.41(6) . . ?
C5 N1 Ni1 113.89(7) . . ?
C5 N1 C1 112.91(8) . . ?
C5 N1 C6 106.95(8) . . ?
C6 N1 Ni1 105.98(6) . . ?
C6 N1 C1 112.61(8) . . ?
N1 C1 C2 104.13(8) . . ?
N1 C1 C3 108.98(8) . . ?
N1 C1 C4 113.07(8) . . ?
C2 C1 C3 108.84(8) . . ?
C4 C1 C2 111.22(8) . . ?
C4 C1 C3 110.37(9) . . ?
O1 C2 C1 110.15(8) . . ?
O1 C2 H2A 111.7(8) . . ?
O1 C2 H2B 111.5(8) . . ?
C1 C2 H2A 109.2(8) . . ?
C1 C2 H2B 107.6(8) . . ?
H2A C2 H2B 106.6(11) . . ?
C1 C3 H3A 111.8(9) . . ?
C1 C3 H3B 111.7(8) . . ?
C1 C3 H3C 107.7(9) . . ?
H3A C3 H3B 108.2(11) . . ?
H3A C3 H3C 107.2(12) . . ?
H3B C3 H3C 110.0(12) . . ?
C1 C4 H4A 112.8(9) . . ?
C1 C4 H4B 109.4(9) . . ?
C1 C4 H4C 113.4(9) . . ?
H4A C4 H4B 106.5(13) . . ?
H4A C4 H4C 106.2(12) . . ?
H4B C4 H4C 108.1(12) . . ?
N1 C5 H5A 110.8(9) . . ?
N1 C5 H5B 108.4(8) . . ?
N1 C5 H5C 109.8(8) . . ?
H5A C5 H5B 109.3(12) . . ?
H5A C5 H5C 109.4(11) . . ?
H5B C5 H5C 109.0(11) . . ?
N1 C6 H6A 108.0(9) . . ?
N1 C6 H6B 109.4(8) . . ?
N1 C6 H6C 110.8(9) . . ?
H6A C6 H6B 108.6(11) . . ?
H6A C6 H6C 109.0(11) . . ?
H6B C6 H6C 111.0(11) . . ?

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
Ni1 O1 C2 C1 -30.72(10) . . . . ?
Ni1 N1 C1 C2 -41.97(8) . . . . ?
Ni1 N1 C1 C3 74.06(8) . . . . ?
Ni1 N1 C1 C4 -162.82(7) . . . . ?
N1 Ni1 O1 C2 4.00(7) . . . . ?
N1 Ni1 O1 C2 -176.00(7) 5_666 . . . ?
N1 C1 C2 O1 48.35(10) . . . . ?
C3 C1 C2 O1 -67.77(10) . . . . ?
C4 C1 C2 O1 170.43(9) . . . . ?
C5 N1 C1 C2 -166.20(8) . . . . ?
C5 N1 C1 C3 -50.18(11) . . . . ?
C5 N1 C1 C4 72.95(11) . . . . ?
C6 N1 C1 C2 72.54(10) . . . . ?
C6 N1 C1 C3 -171.43(8) . . . . ?
C6 N1 C1 C4 -48.31(11) . . . . ?

_olex2_exptl_crystal_mounting_method 'mounted on a nylon loop'
_olex2_submission_original_sample_id xstr0754
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.239
_oxdiff_exptl_absorpt_empirical_full_min 0.879
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
