# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_p21c_b
_database_code_depnum_ccdc_archive 'CCDC 1915840'
loop_
_audit_author_name
_audit_author_address
'Qingheng Lai'
;TAMU
United States of America
;
_audit_update_record             
;
2019-05-13 deposited with the CCDC.	2020-11-03 downloaded from the CCDC.
;
_audit_creation_date             2017-11-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H51 Al N3 Ni P3'
_chemical_formula_sum            'C30 H51 Al N3 Ni P3'
_chemical_formula_weight         632.33
_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'
Al Al 0.0645 0.0514 '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'
P P 0.1023 0.0942 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.290(9)
_cell_length_b                   17.502(13)
_cell_length_c                   16.876(13)
_cell_angle_alpha                90
_cell_angle_beta                 96.935(9)
_cell_angle_gamma                90
_cell_volume                     3310(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9840
_cell_measurement_temperature    110
_cell_measurement_theta_max      27.486
_cell_measurement_theta_min      2.305
_shelx_estimated_absorpt_T_max   0.940
_shelx_estimated_absorpt_T_min   0.556
_exptl_absorpt_coefficient_mu    0.781
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1002 before and 0.0464 after correction. The Ratio of minimum to maximum transmission is 0.7772. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.85
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_unetI/netI     0.0219
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            37302
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.504
_diffrn_reflns_theta_min         2.327
_diffrn_ambient_temperature      110
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6851
_reflns_number_total             7553
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.353
_refine_diff_density_min         -0.270
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         7553
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0267
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0300P)²+1.8481P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0700
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H00A(0.025) H00B(0.022) H00C(0.025) H00D(0.027) H00E(0.042)
 H00F(0.042) H00G(0.042) H00H(0.025) H00I(0.028) H00J(0.035) H00K(0.035)
 H00L(0.035) H00M(0.033) H00N(0.043) H00O(0.043) H00P(0.043) H00Q(0.043)
 H00R(0.043) H00S(0.043) H00T(0.034) H00U(0.033) H00V(0.046) H00W(0.046)
 H00X(0.046) H00Y(0.035) H(0.035) HA(0.035) H00Z(0.036) H00(0.043) HB(0.043)
 HC(0.043) H0AA(0.046) HD(0.046) HE(0.046) H1AA(0.037) H2AA(0.042) HF(0.042)
 HG(0.042) H3AA(0.036) H4AA(0.048) HH(0.048) HI(0.048) H5AA(0.035) H6AA(0.048)
 HJ(0.048) HK(0.048) H010(0.043) H01A(0.044) H01B(0.044) H01C(0.044) H012(0.045)
 Fixed X: H00A(0.984393) H00B(0.36752) H00C(0.57999) H00D(0.971707)
 H00E(0.590929) H00F(0.501797) H00G(0.449762) H00H(0.526968) H00I(0.842914)
 H00J(0.487623) H00K(0.365319) H00L(0.486598) H00M(0.684231) H00N(0.331768)
 H00O(0.390437) H00P(0.40197) H00Q(0.563711) H00R(0.485671) H00S(0.624568)
 H00T(1.160537) H00U(0.771177) H00V(0.659965) H00W(0.519152) H00X(0.609998)
 H00Y(0.325402) H(0.272895) HA(0.393896) H00Z(0.479849) H00(1.023793)
 HB(1.086489) HC(1.11519) H0AA(0.79008) HD(0.889814) HE(0.822178) H1AA(0.71451)
 H2AA(0.767319) HF(0.852671) HG(0.903184) H3AA(0.786309) H4AA(0.845512)
 HH(0.822679) HI(0.730646) H5AA(1.051319) H6AA(0.796232) HJ(0.936592)
 HK(0.885909) H010(1.228665) H01A(0.990475) H01B(1.038961) H01C(0.964273)
 H012(0.616277)
 Fixed Y: H00A(0.74856) H00B(0.784105) H00C(0.924101) H00D(0.938765)
 H00E(0.853388) H00F(0.924272) H00G(0.839868) H00H(0.589243) H00I(0.511258)
 H00J(0.640375) H00K(0.656909) H00L(0.695879) H00M(0.459501) H00N(0.890811)
 H00O(0.973465) H00P(0.930051) H00Q(0.686587) H00R(0.618642) H00S(0.625218)
 H00T(0.833907) H00U(0.596412) H00V(0.488888) H00W(0.484227) H00X(0.467548)
 H00Y(0.768187) H(0.697111) HA(0.687962) H00Z(0.892806) H00(0.906176)
 HB(0.836607) HC(0.851871) H0AA(0.764295) HD(0.780217) HE(0.850202)
 H1AA(0.463907) H2AA(0.924081) HF(0.997379) HG(0.91657) H3AA(0.799351)
 H4AA(0.959864) HH(1.024251) HI(0.954944) H5AA(0.697781) H6AA(0.564964)
 HJ(0.549372) HK(0.634294) H010(0.76306) H01A(0.641825) H01B(0.556946)
 H01C(0.576369) H012(0.881858)
 Fixed Z: H00A(0.350234) H00B(0.522978) H00C(0.447852) H00D(0.454926)
 H00E(0.331024) H00F(0.31464) H00G(0.3221) H00H(0.397179) H00I(0.399497)
 H00J(0.527618) H00K(0.563572) H00L(0.602892) H00M(0.518421) H00N(0.430585)
 H00O(0.42407) H00P(0.508109) H00Q(0.306728) H00R(0.263802) H00S(0.254124)
 H00T(0.506242) H00U(0.70941) H00V(0.309268) H00W(0.312839) H00X(0.391264)
 H00Y(0.38508) H(0.429245) HA(0.389576) H00Z(0.635574) H00(0.322044)
 HB(0.281794) HC(0.375648) H0AA(0.284015) HD(0.226248) HE(0.2621)
 H1AA(0.669681) H2AA(0.538043) HF(0.543996) HG(0.577124) H3AA(0.74196)
 H4AA(0.336875) HH(0.400635) HI(0.383693) H5AA(0.676946) H6AA(0.271941)
 HJ(0.28973) HK(0.295797) H010(0.634657) H01A(0.439256) H01B(0.428789)
 H01C(0.501027) H012(0.766309)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Ni01 Ni 0.71846(2) 0.74545(2) 0.43795(2) 0.01261(5) Uani 1 1 d . . . . .
P002 P 0.56120(3) 0.79633(2) 0.48557(2) 0.01437(8) Uani 1 1 d . . . . .
P003 P 0.88006(3) 0.81796(2) 0.43782(2) 0.01496(8) Uani 1 1 d . . . . .
P004 P 0.72955(3) 0.61931(2) 0.42726(2) 0.01574(8) Uani 1 1 d . . . . .
Al00 Al 0.79104(4) 0.72299(3) 0.56719(2) 0.01698(9) Uani 1 1 d . . . . .
N006 N 0.95383(11) 0.74298(7) 0.57621(7) 0.0201(3) Uani 1 1 d . . . . .
N007 N 0.70889(11) 0.79060(7) 0.62523(7) 0.0201(3) Uani 1 1 d . . . . .
N008 N 0.75680(11) 0.62251(7) 0.58932(7) 0.0211(3) Uani 1 1 d . . . . .
C009 C 0.60428(13) 0.82324(8) 0.58846(9) 0.0191(3) Uani 1 1 d . . . . .
C00A C 0.95000(13) 0.80123(9) 0.34511(9) 0.0205(3) Uani 1 1 d . . . . .
H00A H 0.984393 0.748560 0.350234 0.025 Uiso 1 1 calc R . . . .
C00B C 0.41792(13) 0.74722(8) 0.49659(9) 0.0182(3) Uani 1 1 d . . . . .
H00B H 0.367520 0.784105 0.522978 0.022 Uiso 1 1 calc R . . . .
C00C C 0.51530(13) 0.88622(8) 0.43159(9) 0.0205(3) Uani 1 1 d . . . . .
H00C H 0.579990 0.924101 0.447852 0.025 Uiso 1 1 calc R . . . .
C00D C 0.88629(13) 0.92318(8) 0.45369(10) 0.0228(3) Uani 1 1 d . . . . .
H00D H 0.971707 0.938765 0.454926 0.027 Uiso 1 1 calc R . . . .
C00E C 0.51436(15) 0.87492(10) 0.34180(10) 0.0280(3) Uani 1 1 d . . . . .
H00E H 0.590929 0.853388 0.331024 0.042 Uiso 1 1 calc GR . . . .
H00F H 0.501797 0.924272 0.314640 0.042 Uiso 1 1 calc GR . . . .
H00G H 0.449762 0.839868 0.322100 0.042 Uiso 1 1 calc GR . . . .
C00F C 0.59457(13) 0.58280(8) 0.36455(9) 0.0205(3) Uani 1 1 d . . . . .
H00H H 0.526968 0.589243 0.397179 0.025 Uiso 1 1 calc R . . . .
C00G C 0.99185(13) 0.78904(8) 0.51754(8) 0.0184(3) Uani 1 1 d . . . . .
C00H C 0.72658(13) 0.57549(8) 0.52394(9) 0.0190(3) Uani 1 1 d . . . . .
C00I C 0.85739(14) 0.56708(9) 0.39244(10) 0.0234(3) Uani 1 1 d . . . . .
H00I H 0.842914 0.511258 0.399497 0.028 Uiso 1 1 calc R . . . .
C00J C 0.44148(14) 0.67898(9) 0.55269(9) 0.0236(3) Uani 1 1 d . . . . .
H00J H 0.487623 0.640375 0.527618 0.035 Uiso 1 1 calc GR . . . .
H00K H 0.365319 0.656909 0.563572 0.035 Uiso 1 1 calc GR . . . .
H00L H 0.486598 0.695879 0.602892 0.035 Uiso 1 1 calc GR . . . .
C00K C 0.70593(15) 0.50300(9) 0.55061(10) 0.0274(3) Uani 1 1 d . . . . .
H00M H 0.684231 0.459501 0.518421 0.033 Uiso 1 1 calc R . . . .
C00L C 0.39949(14) 0.92347(9) 0.45026(11) 0.0289(4) Uani 1 1 d . . . . .
H00N H 0.331768 0.890811 0.430585 0.043 Uiso 1 1 calc GR . . . .
H00O H 0.390437 0.973465 0.424070 0.043 Uiso 1 1 calc GR . . . .
H00P H 0.401970 0.930051 0.508109 0.043 Uiso 1 1 calc GR . . . .
C00M C 0.56443(16) 0.63279(10) 0.29068(9) 0.0289(3) Uani 1 1 d . . . . .
H00Q H 0.563711 0.686587 0.306728 0.043 Uiso 1 1 calc GR . . . .
H00R H 0.485671 0.618642 0.263802 0.043 Uiso 1 1 calc GR . . . .
H00S H 0.624568 0.625218 0.254124 0.043 Uiso 1 1 calc GR . . . .
C00N C 1.11227(14) 0.80338(11) 0.53609(9) 0.0284(4) Uani 1 1 d . . . . .
H00T H 1.160537 0.833907 0.506242 0.034 Uiso 1 1 calc R . . . .
C00O C 0.75406(14) 0.57865(10) 0.65606(10) 0.0272(3) Uani 1 1 d . . . . .
H00U H 0.771177 0.596412 0.709410 0.033 Uiso 1 1 calc R . . . .
C00P C 0.59605(16) 0.49832(9) 0.34251(11) 0.0303(4) Uani 1 1 d . . . . .
H00V H 0.659965 0.488888 0.309268 0.046 Uiso 1 1 calc GR . . . .
H00W H 0.519152 0.484227 0.312839 0.046 Uiso 1 1 calc GR . . . .
H00X H 0.609998 0.467548 0.391264 0.046 Uiso 1 1 calc GR . . . .
C00Q C 0.34609(13) 0.72294(9) 0.41809(9) 0.0235(3) Uani 1 1 d . . . . .
H00Y H 0.325402 0.768187 0.385080 0.035 Uiso 1 1 calc GR . . . .
H H 0.272895 0.697111 0.429245 0.035 Uiso 1 1 calc GR . . . .
HA H 0.393896 0.687962 0.389576 0.035 Uiso 1 1 calc GR . . . .
C00R C 0.55256(15) 0.86504(10) 0.64429(10) 0.0298(4) Uani 1 1 d . . . . .
H00Z H 0.479849 0.892806 0.635574 0.036 Uiso 1 1 calc R . . . .
C00S C 1.05313(14) 0.85368(10) 0.32977(10) 0.0285(3) Uani 1 1 d . . . . .
H00 H 1.023793 0.906176 0.322044 0.043 Uiso 1 1 calc GR . . . .
HB H 1.086489 0.836607 0.281794 0.043 Uiso 1 1 calc GR . . . .
HC H 1.115190 0.851871 0.375648 0.043 Uiso 1 1 calc GR . . . .
C00T C 0.85446(15) 0.79877(11) 0.27290(9) 0.0304(4) Uani 1 1 d . . . . .
H0AA H 0.790080 0.764295 0.284015 0.046 Uiso 1 1 calc GR . . . .
HD H 0.889814 0.780217 0.226248 0.046 Uiso 1 1 calc GR . . . .
HE H 0.822178 0.850202 0.262100 0.046 Uiso 1 1 calc GR . . . .
C00U C 0.72300(15) 0.50542(10) 0.63454(10) 0.0305(4) Uani 1 1 d . . . . .
H1AA H 0.714510 0.463907 0.669681 0.037 Uiso 1 1 calc R . . . .
C00V C 0.84903(15) 0.94199(9) 0.53555(11) 0.0283(3) Uani 1 1 d . . . . .
H2AA H 0.767319 0.924081 0.538043 0.042 Uiso 1 1 calc GR . . . .
HF H 0.852671 0.997379 0.543996 0.042 Uiso 1 1 calc GR . . . .
HG H 0.903184 0.916570 0.577124 0.042 Uiso 1 1 calc GR . . . .
C00W C 0.72185(15) 0.81320(11) 0.70313(9) 0.0296(4) Uani 1 1 d . . . . .
H3AA H 0.786309 0.799351 0.741960 0.036 Uiso 1 1 calc R . . . .
C00X C 0.81488(15) 0.96973(9) 0.38782(11) 0.0318(4) Uani 1 1 d . . . . .
H4AA H 0.845512 0.959864 0.336875 0.048 Uiso 1 1 calc GR . . . .
HH H 0.822679 1.024251 0.400635 0.048 Uiso 1 1 calc GR . . . .
HI H 0.730646 0.954944 0.383693 0.048 Uiso 1 1 calc GR . . . .
C00Y C 1.05157(15) 0.72831(11) 0.63042(9) 0.0294(4) Uani 1 1 d . . . . .
H5AA H 1.051319 0.697781 0.676946 0.035 Uiso 1 1 calc R . . . .
C00Z C 0.87017(16) 0.58009(10) 0.30465(10) 0.0318(4) Uani 1 1 d . . . . .
H6AA H 0.796232 0.564964 0.271941 0.048 Uiso 1 1 calc GR . . . .
HJ H 0.936592 0.549372 0.289730 0.048 Uiso 1 1 calc GR . . . .
HK H 0.885909 0.634294 0.295797 0.048 Uiso 1 1 calc GR . . . .
C010 C 1.14996(15) 0.76432(12) 0.60745(10) 0.0360(4) Uani 1 1 d . . . . .
H010 H 1.228665 0.763060 0.634657 0.043 Uiso 1 1 calc R . . . .
C011 C 0.97320(14) 0.58738(10) 0.44512(11) 0.0292(4) Uani 1 1 d . . . . .
H01A H 0.990475 0.641825 0.439256 0.044 Uiso 1 1 calc GR . . . .
H01B H 1.038961 0.556946 0.428789 0.044 Uiso 1 1 calc GR . . . .
H01C H 0.964273 0.576369 0.501027 0.044 Uiso 1 1 calc GR . . . .
C012 C 0.62823(16) 0.85874(12) 0.71697(11) 0.0373(4) Uani 1 1 d . . . . .
H012 H 0.616277 0.881858 0.766309 0.045 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
Ni01 P002 2.2217(13) . ?
Ni01 P003 2.2227(13) . ?
Ni01 P004 2.2197(17) . ?
Ni01 Al00 2.2695(16) . ?
P002 C009 1.8081(19) . ?
P002 C00B 1.8609(18) . ?
P002 C00C 1.8598(18) . ?
P003 C00A 1.8589(19) . ?
P003 C00D 1.861(2) . ?
P003 C00G 1.8026(17) . ?
P004 C00F 1.8606(18) . ?
P004 C00H 1.8068(19) . ?
P004 C00I 1.8626(18) . ?
Al00 N006 1.8591(19) . ?
Al00 N007 1.8545(16) . ?
Al00 N008 1.8483(19) . ?
N006 C00G 1.385(2) . ?
N006 C00Y 1.370(2) . ?
N007 C009 1.389(2) . ?
N007 C00W 1.364(2) . ?
N008 C00H 1.386(2) . ?
N008 C00O 1.366(2) . ?
C009 C00R 1.377(2) . ?
C00A H00A 1.0000 . ?
C00A C00S 1.529(2) . ?
C00A C00T 1.527(2) . ?
C00B H00B 1.0000 . ?
C00B C00J 1.527(2) . ?
C00B C00Q 1.528(2) . ?
C00C H00C 1.0000 . ?
C00C C00E 1.527(2) . ?
C00C C00L 1.528(2) . ?
C00D H00D 1.0000 . ?
C00D C00V 1.528(2) . ?
C00D C00X 1.527(2) . ?
C00E H00E 0.9800 . ?
C00E H00F 0.9800 . ?
C00E H00G 0.9800 . ?
C00F H00H 1.0000 . ?
C00F C00M 1.527(2) . ?
C00F C00P 1.525(2) . ?
C00G C00N 1.381(2) . ?
C00H C00K 1.375(2) . ?
C00I H00I 1.0000 . ?
C00I C00Z 1.523(3) . ?
C00I C011 1.532(2) . ?
C00J H00J 0.9800 . ?
C00J H00K 0.9800 . ?
C00J H00L 0.9800 . ?
C00K H00M 0.9500 . ?
C00K C00U 1.407(3) . ?
C00L H00N 0.9800 . ?
C00L H00O 0.9800 . ?
C00L H00P 0.9800 . ?
C00M H00Q 0.9800 . ?
C00M H00R 0.9800 . ?
C00M H00S 0.9800 . ?
C00N H00T 0.9500 . ?
C00N C010 1.405(3) . ?
C00O H00U 0.9500 . ?
C00O C00U 1.366(3) . ?
C00P H00V 0.9800 . ?
C00P H00W 0.9800 . ?
C00P H00X 0.9800 . ?
C00Q H00Y 0.9800 . ?
C00Q H 0.9800 . ?
C00Q HA 0.9800 . ?
C00R H00Z 0.9500 . ?
C00R C012 1.412(3) . ?
C00S H00 0.9800 . ?
C00S HB 0.9800 . ?
C00S HC 0.9800 . ?
C00T H0AA 0.9800 . ?
C00T HD 0.9800 . ?
C00T HE 0.9800 . ?
C00U H1AA 0.9500 . ?
C00V H2AA 0.9800 . ?
C00V HF 0.9800 . ?
C00V HG 0.9800 . ?
C00W H3AA 0.9500 . ?
C00W C012 1.366(3) . ?
C00X H4AA 0.9800 . ?
C00X HH 0.9800 . ?
C00X HI 0.9800 . ?
C00Y H5AA 0.9500 . ?
C00Y C010 1.373(3) . ?
C00Z H6AA 0.9800 . ?
C00Z HJ 0.9800 . ?
C00Z HK 0.9800 . ?
C010 H010 0.9500 . ?
C011 H01A 0.9800 . ?
C011 H01B 0.9800 . ?
C011 H01C 0.9800 . ?
C012 H012 0.9500 . ?

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
P002 Ni01 P003 117.61(5) . . ?
P002 Ni01 Al00 86.18(4) . . ?
P003 Ni01 Al00 84.18(3) . . ?
P004 Ni01 P002 118.91(2) . . ?
P004 Ni01 P003 120.89(4) . . ?
P004 Ni01 Al00 83.60(2) . . ?
C009 P002 Ni01 108.52(6) . . ?
C009 P002 C00B 99.24(7) . . ?
C009 P002 C00C 106.06(8) . . ?
C00B P002 Ni01 126.40(7) . . ?
C00C P002 Ni01 110.46(6) . . ?
C00C P002 C00B 104.21(8) . . ?
C00A P003 Ni01 110.07(6) . . ?
C00A P003 C00D 105.33(7) . . ?
C00D P003 Ni01 125.56(6) . . ?
C00G P003 Ni01 109.87(6) . . ?
C00G P003 C00A 104.69(9) . . ?
C00G P003 C00D 99.18(7) . . ?
C00F P004 Ni01 109.72(5) . . ?
C00F P004 C00I 105.35(9) . . ?
C00H P004 Ni01 109.96(6) . . ?
C00H P004 C00F 105.35(8) . . ?
C00H P004 C00I 100.15(8) . . ?
C00I P004 Ni01 124.56(5) . . ?
N006 Al00 Ni01 106.55(5) . . ?
N007 Al00 Ni01 104.57(6) . . ?
N007 Al00 N006 112.91(7) . . ?
N008 Al00 Ni01 107.39(4) . . ?
N008 Al00 N006 113.03(6) . . ?
N008 Al00 N007 111.73(7) . . ?
C00G N006 Al00 116.09(10) . . ?
C00Y N006 Al00 136.73(12) . . ?
C00Y N006 C00G 107.00(14) . . ?
C009 N007 Al00 118.62(10) . . ?
C00W N007 Al00 133.78(12) . . ?
C00W N007 C009 107.33(13) . . ?
C00H N008 Al00 116.20(10) . . ?
C00O N008 Al00 136.65(12) . . ?
C00O N008 C00H 107.15(14) . . ?
N007 C009 P002 115.94(11) . . ?
C00R C009 P002 135.09(13) . . ?
C00R C009 N007 108.71(14) . . ?
P003 C00A H00A 105.8 . . ?
C00S C00A P003 117.23(11) . . ?
C00S C00A H00A 105.8 . . ?
C00T C00A P003 110.19(12) . . ?
C00T C00A H00A 105.8 . . ?
C00T C00A C00S 111.15(13) . . ?
P002 C00B H00B 107.1 . . ?
C00J C00B P002 109.56(11) . . ?
C00J C00B H00B 107.1 . . ?
C00J C00B C00Q 110.77(13) . . ?
C00Q C00B P002 114.75(11) . . ?
C00Q C00B H00B 107.1 . . ?
P002 C00C H00C 106.0 . . ?
C00E C00C P002 110.16(11) . . ?
C00E C00C H00C 106.0 . . ?
C00E C00C C00L 110.88(13) . . ?
C00L C00C P002 117.06(11) . . ?
C00L C00C H00C 106.0 . . ?
P003 C00D H00D 107.0 . . ?
C00V C00D P003 109.49(11) . . ?
C00V C00D H00D 107.0 . . ?
C00V C00D C00X 111.37(14) . . ?
C00X C00D P003 114.56(12) . . ?
C00X C00D H00D 107.0 . . ?
C00C C00E H00E 109.5 . . ?
C00C C00E H00F 109.5 . . ?
C00C C00E H00G 109.5 . . ?
H00E C00E H00F 109.5 . . ?
H00E C00E H00G 109.5 . . ?
H00F C00E H00G 109.5 . . ?
P004 C00F H00H 106.0 . . ?
C00M C00F P004 110.73(11) . . ?
C00M C00F H00H 106.0 . . ?
C00P C00F P004 116.06(12) . . ?
C00P C00F H00H 106.0 . . ?
C00P C00F C00M 111.36(14) . . ?
N006 C00G P003 116.59(11) . . ?
C00N C00G P003 134.41(12) . . ?
C00N C00G N006 109.00(13) . . ?
N008 C00H P004 115.93(12) . . ?
C00K C00H P004 135.18(13) . . ?
C00K C00H N008 108.81(14) . . ?
P004 C00I H00I 107.3 . . ?
C00Z C00I P004 113.68(12) . . ?
C00Z C00I H00I 107.3 . . ?
C00Z C00I C011 110.82(14) . . ?
C011 C00I P004 110.05(12) . . ?
C011 C00I H00I 107.3 . . ?
C00B C00J H00J 109.5 . . ?
C00B C00J H00K 109.5 . . ?
C00B C00J H00L 109.5 . . ?
H00J C00J H00K 109.5 . . ?
H00J C00J H00L 109.5 . . ?
H00K C00J H00L 109.5 . . ?
C00H C00K H00M 126.5 . . ?
C00H C00K C00U 107.07(15) . . ?
C00U C00K H00M 126.5 . . ?
C00C C00L H00N 109.5 . . ?
C00C C00L H00O 109.5 . . ?
C00C C00L H00P 109.5 . . ?
H00N C00L H00O 109.5 . . ?
H00N C00L H00P 109.5 . . ?
H00O C00L H00P 109.5 . . ?
C00F C00M H00Q 109.5 . . ?
C00F C00M H00R 109.5 . . ?
C00F C00M H00S 109.5 . . ?
H00Q C00M H00R 109.5 . . ?
H00Q C00M H00S 109.5 . . ?
H00R C00M H00S 109.5 . . ?
C00G C00N H00T 126.5 . . ?
C00G C00N C010 107.09(15) . . ?
C010 C00N H00T 126.5 . . ?
N008 C00O H00U 125.1 . . ?
C00U C00O N008 109.79(15) . . ?
C00U C00O H00U 125.1 . . ?
C00F C00P H00V 109.5 . . ?
C00F C00P H00W 109.5 . . ?
C00F C00P H00X 109.5 . . ?
H00V C00P H00W 109.5 . . ?
H00V C00P H00X 109.5 . . ?
H00W C00P H00X 109.5 . . ?
C00B C00Q H00Y 109.5 . . ?
C00B C00Q H 109.5 . . ?
C00B C00Q HA 109.5 . . ?
H00Y C00Q H 109.5 . . ?
H00Y C00Q HA 109.5 . . ?
H C00Q HA 109.5 . . ?
C009 C00R H00Z 126.6 . . ?
C009 C00R C012 106.90(16) . . ?
C012 C00R H00Z 126.6 . . ?
C00A C00S H00 109.5 . . ?
C00A C00S HB 109.5 . . ?
C00A C00S HC 109.5 . . ?
H00 C00S HB 109.5 . . ?
H00 C00S HC 109.5 . . ?
HB C00S HC 109.5 . . ?
C00A C00T H0AA 109.5 . . ?
C00A C00T HD 109.5 . . ?
C00A C00T HE 109.5 . . ?
H0AA C00T HD 109.5 . . ?
H0AA C00T HE 109.5 . . ?
HD C00T HE 109.5 . . ?
C00K C00U H1AA 126.4 . . ?
C00O C00U C00K 107.18(14) . . ?
C00O C00U H1AA 126.4 . . ?
C00D C00V H2AA 109.5 . . ?
C00D C00V HF 109.5 . . ?
C00D C00V HG 109.5 . . ?
H2AA C00V HF 109.5 . . ?
H2AA C00V HG 109.5 . . ?
HF C00V HG 109.5 . . ?
N007 C00W H3AA 125.1 . . ?
N007 C00W C012 109.80(15) . . ?
C012 C00W H3AA 125.1 . . ?
C00D C00X H4AA 109.5 . . ?
C00D C00X HH 109.5 . . ?
C00D C00X HI 109.5 . . ?
H4AA C00X HH 109.5 . . ?
H4AA C00X HI 109.5 . . ?
HH C00X HI 109.5 . . ?
N006 C00Y H5AA 125.1 . . ?
N006 C00Y C010 109.83(15) . . ?
C010 C00Y H5AA 125.1 . . ?
C00I C00Z H6AA 109.5 . . ?
C00I C00Z HJ 109.5 . . ?
C00I C00Z HK 109.5 . . ?
H6AA C00Z HJ 109.5 . . ?
H6AA C00Z HK 109.5 . . ?
HJ C00Z HK 109.5 . . ?
C00N C010 H010 126.5 . . ?
C00Y C010 C00N 107.08(15) . . ?
C00Y C010 H010 126.5 . . ?
C00I C011 H01A 109.5 . . ?
C00I C011 H01B 109.5 . . ?
C00I C011 H01C 109.5 . . ?
H01A C011 H01B 109.5 . . ?
H01A C011 H01C 109.5 . . ?
H01B C011 H01C 109.5 . . ?
C00R C012 H012 126.4 . . ?
C00W C012 C00R 107.26(15) . . ?
C00W C012 H012 126.4 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Vapour deposition'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
