# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1942418'
loop_
_audit_author_name
_audit_author_address
'Gengwen Tan'
;Nanjing University
China
;
_audit_update_record             
;
2019-07-23 deposited with the CCDC.	2019-09-27 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         ?
_chemical_formula_sum            'C32 H34 Cl Ge N2 P'
_chemical_formula_weight         585.62

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'
P P 0.1023 0.0942 '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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   8.2747(12)
_cell_length_b                   9.0970(11)
_cell_length_c                   20.186(3)
_cell_angle_alpha                86.729(4)
_cell_angle_beta                 79.820(5)
_cell_angle_gamma                79.365(4)
_cell_volume                     1469.4(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    3849
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      27.36

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_F_000             608
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    1.211
_shelx_estimated_absorpt_T_min   0.812
_shelx_estimated_absorpt_T_max   0.839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5737
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12133
_diffrn_reflns_av_unetI/netI     0.0834
_diffrn_reflns_av_R_equivalents  0.0530
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.475
_diffrn_reflns_theta_max         27.520
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             6698
_reflns_number_gt                4898
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0857P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6698
_refine_ls_number_parameters     340
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0863
_refine_ls_R_factor_gt           0.0567
_refine_ls_wR_factor_ref         0.1578
_refine_ls_wR_factor_gt          0.1416
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_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
Ge1 Ge 0.58089(4) 0.50624(4) 0.71341(2) 0.02496(14) Uani 1 1 d . . . . .
P1 P 0.67971(10) 0.70448(10) 0.87082(4) 0.0215(2) Uani 1 1 d . . . . .
Cl1 Cl 0.32399(12) 0.46604(11) 0.70043(5) 0.0392(2) Uani 1 1 d . . . . .
N1 N 0.4897(3) 0.7049(3) 0.75862(14) 0.0227(6) Uani 1 1 d . . . . .
N2 N 0.5851(3) 0.6900(3) 0.65205(14) 0.0243(6) Uani 1 1 d . . . . .
C1 C 0.5216(4) 0.7855(4) 0.70131(17) 0.0225(7) Uani 1 1 d . . . . .
C2 C 0.4841(5) 0.9567(4) 0.69509(18) 0.0302(8) Uani 1 1 d . . . . .
C3 C 0.5173(8) 1.0263(4) 0.7569(2) 0.0609(15) Uani 1 1 d . . . . .
H3A H 0.4374 1.0031 0.7963 0.091 Uiso 1 1 calc R U . . .
H3B H 0.5048 1.1350 0.7499 0.091 Uiso 1 1 calc R U . . .
H3C H 0.6310 0.9856 0.7644 0.091 Uiso 1 1 calc R U . . .
C4 C 0.2995(5) 1.0037(5) 0.6873(3) 0.0521(12) Uani 1 1 d . . . . .
H4A H 0.2280 0.9823 0.7295 0.078 Uiso 1 1 calc R U . . .
H4B H 0.2768 0.9476 0.6509 0.078 Uiso 1 1 calc R U . . .
H4C H 0.2765 1.1111 0.6764 0.078 Uiso 1 1 calc R U . . .
C5 C 0.5888(6) 1.0185(4) 0.6330(2) 0.0459(11) Uani 1 1 d . . . . .
H5A H 0.5614 1.1281 0.6320 0.069 Uiso 1 1 calc R U . . .
H5B H 0.5642 0.9802 0.5922 0.069 Uiso 1 1 calc R U . . .
H5C H 0.7076 0.9869 0.6351 0.069 Uiso 1 1 calc R U . . .
C6 C 0.6920(4) 0.7056(4) 0.58908(17) 0.0256(7) Uani 1 1 d . . . . .
C7 C 0.6308(4) 0.7004(4) 0.52936(18) 0.0283(8) Uani 1 1 d . . . . .
C8 C 0.7414(5) 0.7036(4) 0.46879(19) 0.0368(9) Uani 1 1 d . . . . .
H8 H 0.7008 0.7012 0.4278 0.044 Uiso 1 1 calc R U . . .
C9 C 0.9070(5) 0.7103(5) 0.4663(2) 0.0396(10) Uani 1 1 d . . . . .
C10 C 0.9641(5) 0.7126(5) 0.5263(2) 0.0406(10) Uani 1 1 d . . . . .
H10 H 1.0785 0.7167 0.5251 0.049 Uiso 1 1 calc R U . . .
C11 C 0.8609(4) 0.7092(4) 0.58836(19) 0.0319(8) Uani 1 1 d . . . . .
C12 C 0.9310(5) 0.7084(6) 0.6527(2) 0.0492(12) Uani 1 1 d . . . . .
H12A H 0.8889 0.8045 0.6748 0.074 Uiso 1 1 calc R U . . .
H12B H 1.0531 0.6928 0.6422 0.074 Uiso 1 1 calc R U . . .
H12C H 0.8964 0.6275 0.6829 0.074 Uiso 1 1 calc R U . . .
C13 C 0.4478(5) 0.6970(5) 0.5306(2) 0.0409(10) Uani 1 1 d . . . . .
H13A H 0.4121 0.6216 0.5639 0.061 Uiso 1 1 calc R U . . .
H13B H 0.4315 0.6718 0.4860 0.061 Uiso 1 1 calc R U . . .
H13C H 0.3815 0.7955 0.5428 0.061 Uiso 1 1 calc R U . . .
C14 C 1.0249(6) 0.7115(6) 0.4000(2) 0.0640(15) Uani 1 1 d . . . . .
H14A H 1.0180 0.8142 0.3817 0.096 Uiso 1 1 calc R U . . .
H14B H 0.9940 0.6486 0.3681 0.096 Uiso 1 1 calc R U . . .
H14C H 1.1393 0.6725 0.4071 0.096 Uiso 1 1 calc R U . . .
C15 C 0.3825(4) 0.7405(3) 0.82031(17) 0.0210(7) Uani 1 1 d . . . . .
C16 C 0.2099(4) 0.7720(4) 0.82366(18) 0.0260(7) Uani 1 1 d . . . . .
H16 H 0.1641 0.7730 0.7836 0.031 Uiso 1 1 calc R U . . .
C17 C 0.1043(4) 0.8019(4) 0.88442(19) 0.0296(8) Uani 1 1 d . . . . .
H17 H -0.0128 0.8285 0.8859 0.036 Uiso 1 1 calc R U . . .
C18 C 0.1712(4) 0.7927(4) 0.94348(18) 0.0280(8) Uani 1 1 d . . . . .
H18 H 0.0995 0.8130 0.9854 0.034 Uiso 1 1 calc R U . . .
C19 C 0.3414(4) 0.7542(3) 0.94128(17) 0.0227(7) Uani 1 1 d . . . . .
H19 H 0.3851 0.7436 0.9821 0.027 Uiso 1 1 calc R U . . .
C20 C 0.4506(4) 0.7305(3) 0.88007(16) 0.0204(7) Uani 1 1 d . . . . .
C21 C 0.7448(4) 0.5059(4) 0.85155(16) 0.0225(7) Uani 1 1 d . . . . .
C22 C 0.6466(4) 0.3986(4) 0.87334(18) 0.0270(8) Uani 1 1 d . . . . .
H22 H 0.5400 0.4270 0.9003 0.032 Uiso 1 1 calc R U . . .
C23 C 0.7022(5) 0.2505(4) 0.85624(19) 0.0323(8) Uani 1 1 d . . . . .
H23 H 0.6348 0.1775 0.8717 0.039 Uiso 1 1 calc R U . . .
C24 C 0.8574(5) 0.2094(4) 0.8163(2) 0.0355(9) Uani 1 1 d . . . . .
H24 H 0.8956 0.1078 0.8044 0.043 Uiso 1 1 calc R U . . .
C25 C 0.9566(5) 0.3145(4) 0.79400(19) 0.0321(8) Uani 1 1 d . . . . .
H25 H 1.0624 0.2857 0.7665 0.039 Uiso 1 1 calc R U . . .
C26 C 0.9009(4) 0.4624(4) 0.81187(17) 0.0259(7) Uani 1 1 d . . . . .
H26 H 0.9695 0.5349 0.7970 0.031 Uiso 1 1 calc R U . . .
C27 C 0.7106(4) 0.7068(4) 0.95835(17) 0.0219(7) Uani 1 1 d . . . . .
C28 C 0.6780(4) 0.8461(4) 0.98935(18) 0.0266(7) Uani 1 1 d . . . . .
H28 H 0.6387 0.9338 0.9649 0.032 Uiso 1 1 calc R U . . .
C29 C 0.7018(5) 0.8578(4) 1.05423(19) 0.0325(8) Uani 1 1 d . . . . .
H29 H 0.6764 0.9527 1.0746 0.039 Uiso 1 1 calc R U . . .
C30 C 0.7626(5) 0.7318(4) 1.08993(19) 0.0301(8) Uani 1 1 d . . . . .
H30 H 0.7783 0.7399 1.1350 0.036 Uiso 1 1 calc R U . . .
C31 C 0.8004(5) 0.5954(4) 1.06031(19) 0.0300(8) Uani 1 1 d . . . . .
H31 H 0.8448 0.5091 1.0845 0.036 Uiso 1 1 calc R U . . .
C32 C 0.7739(4) 0.5822(4) 0.99468(17) 0.0254(7) Uani 1 1 d . . . . .
H32 H 0.7996 0.4868 0.9747 0.031 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
Ge1 N2 2.025(3) . ?
Ge1 N1 2.027(3) . ?
Ge1 Cl1 2.2839(10) . ?
P1 C21 1.830(3) . ?
P1 C27 1.832(3) . ?
P1 C20 1.844(3) . ?
N1 C1 1.346(4) . ?
N1 C15 1.411(4) . ?
N2 C1 1.328(4) . ?
N2 C6 1.431(4) . ?
C1 C2 1.533(5) . ?
C2 C3 1.519(5) . ?
C2 C5 1.534(5) . ?
C2 C4 1.542(5) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.394(5) . ?
C6 C11 1.402(5) . ?
C7 C8 1.394(5) . ?
C7 C13 1.516(5) . ?
C8 C9 1.375(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.377(6) . ?
C9 C14 1.512(6) . ?
C10 C11 1.389(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.513(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.394(5) . ?
C15 C20 1.411(5) . ?
C16 C17 1.383(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.393(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.381(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.398(4) . ?
C19 H19 0.9500 . ?
C21 C22 1.388(5) . ?
C21 C26 1.395(5) . ?
C22 C23 1.383(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.378(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(5) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.385(5) . ?
C27 C28 1.405(5) . ?
C28 C29 1.371(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.381(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.368(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.396(5) . ?
C31 H31 0.9500 . ?
C32 H32 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
N2 Ge1 N1 64.40(11) . . ?
N2 Ge1 Cl1 96.89(8) . . ?
N1 Ge1 Cl1 93.81(8) . . ?
C21 P1 C27 102.11(15) . . ?
C21 P1 C20 102.70(15) . . ?
C27 P1 C20 102.06(15) . . ?
C1 N1 C15 132.0(3) . . ?
C1 N1 Ge1 93.6(2) . . ?
C15 N1 Ge1 131.2(2) . . ?
C1 N2 C6 131.5(3) . . ?
C1 N2 Ge1 94.3(2) . . ?
C6 N2 Ge1 128.0(2) . . ?
N2 C1 N1 107.7(3) . . ?
N2 C1 C2 127.1(3) . . ?
N1 C1 C2 125.2(3) . . ?
C3 C2 C1 110.6(3) . . ?
C3 C2 C5 107.9(3) . . ?
C1 C2 C5 112.9(3) . . ?
C3 C2 C4 110.5(4) . . ?
C1 C2 C4 107.8(3) . . ?
C5 C2 C4 107.1(3) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C11 121.0(3) . . ?
C7 C6 N2 119.3(3) . . ?
C11 C6 N2 119.3(3) . . ?
C6 C7 C8 118.1(3) . . ?
C6 C7 C13 120.6(3) . . ?
C8 C7 C13 121.3(3) . . ?
C9 C8 C7 122.4(4) . . ?
C9 C8 H8 118.8 . . ?
C7 C8 H8 118.8 . . ?
C8 C9 C10 118.1(4) . . ?
C8 C9 C14 121.3(4) . . ?
C10 C9 C14 120.5(4) . . ?
C9 C10 C11 122.5(4) . . ?
C9 C10 H10 118.7 . . ?
C11 C10 H10 118.7 . . ?
C10 C11 C6 117.9(3) . . ?
C10 C11 C12 120.3(4) . . ?
C6 C11 C12 121.7(3) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 C13 H13A 109.5 . . ?
C7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 119.7(3) . . ?
C16 C15 N1 120.8(3) . . ?
C20 C15 N1 119.2(3) . . ?
C17 C16 C15 121.0(3) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C16 C17 C18 119.4(3) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C19 C18 C17 120.2(3) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C20 121.2(3) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C19 C20 C15 118.4(3) . . ?
C19 C20 P1 124.4(3) . . ?
C15 C20 P1 116.9(2) . . ?
C22 C21 C26 119.0(3) . . ?
C22 C21 P1 123.5(3) . . ?
C26 C21 P1 117.5(3) . . ?
C23 C22 C21 120.7(3) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 119.6(3) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C25 C24 C23 120.6(3) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C24 C25 C26 119.5(3) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C25 C26 C21 120.6(3) . . ?
C25 C26 H26 119.7 . . ?
C21 C26 H26 119.7 . . ?
C32 C27 C28 117.7(3) . . ?
C32 C27 P1 124.5(3) . . ?
C28 C27 P1 117.7(3) . . ?
C29 C28 C27 121.3(3) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C28 C29 C30 120.1(3) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C31 C30 C29 119.9(3) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C32 120.3(3) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C27 C32 C31 120.7(3) . . ?
C27 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?

_refine_diff_density_max         1.405
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.114

####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1942420'
loop_
_audit_author_name
_audit_author_address
'Gengwen Tan'
;Nanjing University
China
;
_audit_update_record             
;
2019-07-23 deposited with the CCDC.	2019-09-27 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         ?
_chemical_formula_sum            'C64 H68 Ge N4 Ni P2'
_chemical_formula_weight         1086.46

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   11.2674(13)
_cell_length_b                   13.6982(15)
_cell_length_c                   19.294(2)
_cell_angle_alpha                89.501(2)
_cell_angle_beta                 76.818(2)
_cell_angle_gamma                74.009(2)
_cell_volume                     2782.5(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6004
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      27.17

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_F_000             1140
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.979
_shelx_estimated_absorpt_T_min   0.843
_shelx_estimated_absorpt_T_max   0.867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5655
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22727
_diffrn_reflns_av_unetI/netI     0.0638
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.549
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             10781
_reflns_number_gt                8280
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0547P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10781
_refine_ls_number_parameters     689
_refine_ls_number_restraints     93
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0402
_refine_ls_wR_factor_ref         0.1070
_refine_ls_wR_factor_gt          0.0992
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_restrained_S_all      1.006
_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
C1 C 0.8322(3) 0.06300(19) 0.38949(14) 0.0263(6) Uani 1 1 d . . . . .
C2 C 0.8622(3) -0.0342(2) 0.41505(16) 0.0351(7) Uani 1 1 d . . . . .
H2 H 0.9420 -0.0612 0.4266 0.042 Uiso 1 1 calc R U . . .
C3 C 0.7759(3) -0.0921(2) 0.42382(17) 0.0432(8) Uani 1 1 d . . . . .
H3 H 0.7962 -0.1581 0.4416 0.052 Uiso 1 1 calc R U . . .
C4 C 0.6604(3) -0.0520(2) 0.40618(17) 0.0409(8) Uani 1 1 d . . . . .
H4 H 0.6022 -0.0917 0.4106 0.049 Uiso 1 1 calc R U . . .
C5 C 0.6282(3) 0.0454(2) 0.38208(16) 0.0343(7) Uani 1 1 d . . . . .
H5 H 0.5490 0.0714 0.3696 0.041 Uiso 1 1 calc R U . . .
C6 C 0.7122(3) 0.10526(19) 0.37608(14) 0.0259(6) Uani 1 1 d . . . . .
C7 C 0.9317(3) 0.22735(19) 0.42570(15) 0.0316(6) Uani 1 1 d D U . . .
C8 C 0.982(2) 0.3075(13) 0.4062(7) 0.038(2) Uani 0.19(2) 1 d D U P A 1
H8 H 1.0065 0.3205 0.3573 0.045 Uiso 0.19(2) 1 calc R U P A 1
C9 C 0.998(3) 0.3686(16) 0.4582(10) 0.043(2) Uani 0.19(2) 1 d D U P A 1
H9 H 1.0432 0.4177 0.4451 0.051 Uiso 0.19(2) 1 calc R U P A 1
C10 C 0.948(2) 0.3578(12) 0.5294(9) 0.048(2) Uani 0.19(2) 1 d D U P A 1
H10 H 0.9538 0.4025 0.5650 0.057 Uiso 0.19(2) 1 calc R U P A 1
C11 C 0.8884(3) 0.2810(2) 0.54894(18) 0.0482(8) Uani 1 1 d . U . . .
H11 H 0.8442 0.2782 0.5968 0.058 Uiso 1 1 calc R U . A 1
C12 C 0.8954(3) 0.2095(2) 0.49688(16) 0.0365(7) Uani 1 1 d D U . . .
H12 H 0.8752 0.1480 0.5101 0.044 Uiso 1 1 calc R U . . .
C13 C 1.0988(2) 0.0415(2) 0.35249(14) 0.0271(6) Uani 1 1 d . . . . .
C14 C 1.1796(3) 0.0533(2) 0.39414(16) 0.0362(7) Uani 1 1 d . . . . .
H14 H 1.1586 0.1131 0.4242 0.043 Uiso 0.19(2) 1 d R U P . .
H14A H 1.1586 0.1131 0.4242 0.043 Uiso 0.81(2) 1 d R U P . .
C15 C 1.2923(3) -0.0231(3) 0.39211(18) 0.0459(8) Uani 1 1 d . . . . .
H15 H 1.3475 -0.0144 0.4207 0.055 Uiso 1 1 calc R U . . .
C16 C 1.3242(3) -0.1104(2) 0.34956(18) 0.0446(8) Uani 1 1 d . . . . .
H16 H 1.4000 -0.1626 0.3494 0.054 Uiso 1 1 calc R U . . .
C17 C 1.2452(3) -0.1214(2) 0.30703(17) 0.0426(8) Uani 1 1 d . . . . .
H17 H 1.2671 -0.1816 0.2772 0.051 Uiso 1 1 calc R U . . .
C18 C 1.1346(3) -0.0462(2) 0.30715(16) 0.0361(7) Uani 1 1 d . . . . .
H18 H 1.0826 -0.0539 0.2763 0.043 Uiso 1 1 calc R U . . .
C19 C 0.5780(2) 0.27282(19) 0.35930(14) 0.0237(6) Uani 1 1 d . . . . .
C20 C 0.4804(3) 0.2904(2) 0.43384(14) 0.0279(6) Uani 1 1 d . . . . .
C21 C 0.5388(3) 0.2349(2) 0.49310(16) 0.0423(8) Uani 1 1 d . . . . .
H21A H 0.5532 0.1615 0.4856 0.063 Uiso 1 1 calc R U . . .
H21B H 0.4804 0.2586 0.5396 0.063 Uiso 1 1 calc R U . . .
H21C H 0.6197 0.2492 0.4918 0.063 Uiso 1 1 calc R U . . .
C22 C 0.3569(3) 0.2625(3) 0.43370(18) 0.0455(8) Uani 1 1 d . . . . .
H22A H 0.2984 0.2804 0.4808 0.068 Uiso 1 1 calc R U . . .
H22B H 0.3767 0.1892 0.4226 0.068 Uiso 1 1 calc R U . . .
H22C H 0.3170 0.3000 0.3976 0.068 Uiso 1 1 calc R U . . .
C23 C 0.4430(3) 0.4036(2) 0.45717(16) 0.0457(8) Uani 1 1 d . . . . .
H23A H 0.5198 0.4261 0.4521 0.069 Uiso 1 1 calc R U . . .
H23B H 0.3955 0.4140 0.5071 0.069 Uiso 1 1 calc R U . . .
H23C H 0.3898 0.4432 0.4272 0.069 Uiso 1 1 calc R U . . .
C24 C 0.4429(2) 0.39185(18) 0.29451(13) 0.0229(6) Uani 1 1 d . . . . .
C25 C 0.3842(3) 0.3309(2) 0.26353(15) 0.0287(6) Uani 1 1 d . . . . .
C26 C 0.2661(3) 0.3750(2) 0.24918(17) 0.0389(7) Uani 1 1 d . . . . .
H26 H 0.2251 0.3330 0.2303 0.047 Uiso 1 1 calc R U . . .
C27 C 0.2065(3) 0.4779(2) 0.26165(18) 0.0417(8) Uani 1 1 d . . . . .
C28 C 0.2683(3) 0.5369(2) 0.28868(16) 0.0370(7) Uani 1 1 d . . . . .
H28 H 0.2289 0.6080 0.2966 0.044 Uiso 1 1 calc R U . . .
C29 C 0.3863(3) 0.49708(19) 0.30500(14) 0.0274(6) Uani 1 1 d . . . . .
C30 C 0.4459(3) 0.2179(2) 0.24623(16) 0.0351(7) Uani 1 1 d . . . . .
H30A H 0.4154 0.1954 0.2072 0.053 Uiso 1 1 calc R U . . .
H30B H 0.4237 0.1804 0.2885 0.053 Uiso 1 1 calc R U . . .
H30C H 0.5383 0.2048 0.2318 0.053 Uiso 1 1 calc R U . . .
C31 C 0.0794(3) 0.5237(3) 0.2448(2) 0.0707(12) Uani 1 1 d . . . . .
H31A H 0.0914 0.5353 0.1937 0.106 Uiso 1 1 calc R U . . .
H31B H 0.0373 0.5886 0.2724 0.106 Uiso 1 1 calc R U . . .
H31C H 0.0266 0.4771 0.2571 0.106 Uiso 1 1 calc R U . . .
C32 C 0.4455(3) 0.56964(19) 0.33464(16) 0.0352(7) Uani 1 1 d . . . . .
H32A H 0.5318 0.5330 0.3381 0.053 Uiso 1 1 calc R U . . .
H32B H 0.3941 0.5972 0.3821 0.053 Uiso 1 1 calc R U . . .
H32C H 0.4489 0.6255 0.3029 0.053 Uiso 1 1 calc R U . . .
C33 C 0.6956(2) 0.28410(17) 0.11457(13) 0.0189(5) Uani 1 1 d . . . . .
C34 C 0.5971(2) 0.30150(18) 0.07945(14) 0.0235(6) Uani 1 1 d . . . . .
H34 H 0.5417 0.3683 0.0816 0.028 Uiso 1 1 calc R U . . .
C35 C 0.5779(2) 0.2248(2) 0.04171(14) 0.0264(6) Uani 1 1 d . . . . .
H35 H 0.5111 0.2393 0.0174 0.032 Uiso 1 1 calc R U . . .
C36 C 0.6555(3) 0.1267(2) 0.03915(15) 0.0281(6) Uani 1 1 d . . . . .
H36 H 0.6428 0.0734 0.0131 0.034 Uiso 1 1 calc R U . . .
C37 C 0.7522(2) 0.10684(18) 0.07501(14) 0.0239(6) Uani 1 1 d . . . . .
H37 H 0.8048 0.0391 0.0736 0.029 Uiso 1 1 calc R U . . .
C38 C 0.7746(2) 0.18293(17) 0.11302(13) 0.0190(5) Uani 1 1 d . . . . .
C39 C 0.9469(2) 0.01641(18) 0.16132(14) 0.0225(6) Uani 1 1 d . . . . .
C40 C 0.8689(3) -0.03081(19) 0.20925(16) 0.0298(6) Uani 1 1 d . . . . .
H40 H 0.7911 0.0093 0.2384 0.036 Uiso 1 1 calc R U . . .
C41 C 0.9046(3) -0.1349(2) 0.21426(18) 0.0413(8) Uani 1 1 d . . . . .
H41 H 0.8523 -0.1657 0.2477 0.050 Uiso 1 1 calc R U . . .
C42 C 1.0162(3) -0.1947(2) 0.17089(18) 0.0422(8) Uani 1 1 d . . . . .
H42 H 1.0395 -0.2664 0.1741 0.051 Uiso 1 1 calc R U . . .
C43 C 1.0930(3) -0.1502(2) 0.12336(17) 0.0380(7) Uani 1 1 d . . . . .
H43 H 1.1698 -0.1911 0.0937 0.046 Uiso 1 1 calc R U . . .
C44 C 1.0585(3) -0.04497(19) 0.11864(15) 0.0294(6) Uani 1 1 d . . . . .
H44 H 1.1123 -0.0148 0.0856 0.035 Uiso 1 1 calc R U . . .
C45 C 1.0363(2) 0.17951(17) 0.10085(14) 0.0209(5) Uani 1 1 d . . . . .
C46 C 1.0576(2) 0.16296(18) 0.02699(14) 0.0245(6) Uani 1 1 d . . . . .
H46 H 0.9951 0.1457 0.0077 0.029 Uiso 1 1 calc R U . . .
C47 C 1.1678(3) 0.17136(19) -0.01799(15) 0.0288(6) Uani 1 1 d . . . . .
H47 H 1.1814 0.1596 -0.0680 0.035 Uiso 1 1 calc R U . . .
C48 C 1.2585(3) 0.1969(2) 0.00971(16) 0.0390(8) Uani 1 1 d . . . . .
H48 H 1.3347 0.2026 -0.0212 0.047 Uiso 1 1 calc R U . . .
C49 C 1.2385(3) 0.2143(3) 0.08225(18) 0.0534(10) Uani 1 1 d . . . . .
H49 H 1.3013 0.2315 0.1012 0.064 Uiso 1 1 calc R U . . .
C50 C 1.1264(3) 0.2066(2) 0.12807(16) 0.0373(7) Uani 1 1 d . . . . .
H50 H 1.1123 0.2200 0.1780 0.045 Uiso 1 1 calc R U . . .
C51 C 0.6855(2) 0.46371(17) 0.12841(14) 0.0207(5) Uani 1 1 d . . . . .
C52 C 0.7564(2) 0.48434(18) 0.05269(14) 0.0250(6) Uani 1 1 d . . . . .
C53 C 0.8408(3) 0.38752(19) 0.00811(15) 0.0324(7) Uani 1 1 d . . . . .
H53A H 0.8909 0.4062 -0.0358 0.049 Uiso 1 1 calc R U . . .
H53B H 0.7873 0.3478 -0.0039 0.049 Uiso 1 1 calc R U . . .
H53C H 0.8980 0.3468 0.0356 0.049 Uiso 1 1 calc R U . . .
C54 C 0.6659(3) 0.5440(2) 0.00894(15) 0.0332(7) Uani 1 1 d . . . . .
H54A H 0.6053 0.5065 0.0042 0.050 Uiso 1 1 calc R U . . .
H54B H 0.7148 0.5529 -0.0385 0.050 Uiso 1 1 calc R U . . .
H54C H 0.6197 0.6108 0.0331 0.050 Uiso 1 1 calc R U . . .
C55 C 0.8453(3) 0.5467(2) 0.06384(17) 0.0374(7) Uani 1 1 d . . . . .
H55A H 0.7948 0.6124 0.0885 0.056 Uiso 1 1 calc R U . . .
H55B H 0.8956 0.5581 0.0175 0.056 Uiso 1 1 calc R U . . .
H55C H 0.9023 0.5096 0.0927 0.056 Uiso 1 1 calc R U . . .
C56 C 0.5813(2) 0.63856(18) 0.17357(14) 0.0236(6) Uani 1 1 d . . . . .
C57 C 0.4742(2) 0.68720(18) 0.14831(14) 0.0258(6) Uani 1 1 d . . . . .
C58 C 0.4406(3) 0.79297(19) 0.14607(15) 0.0321(7) Uani 1 1 d . . . . .
H58 H 0.3697 0.8257 0.1273 0.039 Uiso 1 1 calc R U . . .
C59 C 0.5063(3) 0.8518(2) 0.17003(16) 0.0358(7) Uani 1 1 d . . . . .
C60 C 0.6048(3) 0.8028(2) 0.20069(16) 0.0349(7) Uani 1 1 d . . . . .
H60 H 0.6475 0.8425 0.2203 0.042 Uiso 1 1 calc R U . . .
C61 C 0.6439(3) 0.69735(19) 0.20386(15) 0.0291(6) Uani 1 1 d . . . . .
C62 C 0.3908(3) 0.62895(19) 0.12688(15) 0.0310(6) Uani 1 1 d . . . . .
H62A H 0.4183 0.5580 0.1391 0.046 Uiso 1 1 calc R U . . .
H62B H 0.3979 0.6316 0.0754 0.046 Uiso 1 1 calc R U . . .
H62C H 0.3024 0.6596 0.1523 0.046 Uiso 1 1 calc R U . . .
C63 C 0.4665(4) 0.9677(2) 0.1675(2) 0.0566(10) Uani 1 1 d . . . . .
H63A H 0.5404 0.9932 0.1652 0.085 Uiso 1 1 calc R U . . .
H63B H 0.4009 0.9975 0.2105 0.085 Uiso 1 1 calc R U . . .
H63C H 0.4327 0.9867 0.1253 0.085 Uiso 1 1 calc R U . . .
C64 C 0.7474(3) 0.6480(2) 0.24064(18) 0.0426(8) Uani 1 1 d . . . . .
H64A H 0.8293 0.6291 0.2057 0.064 Uiso 1 1 calc R U . . .
H64B H 0.7307 0.5869 0.2627 0.064 Uiso 1 1 calc R U . . .
H64C H 0.7496 0.6958 0.2775 0.064 Uiso 1 1 calc R U . . .
C8A C 0.9495(12) 0.3212(5) 0.4073(2) 0.063(2) Uani 0.81(2) 1 d D U P A 2
H8A H 0.9710 0.3354 0.3585 0.075 Uiso 0.81(2) 1 calc R U P A 2
C9A C 0.9360(14) 0.3941(6) 0.4597(3) 0.069(2) Uani 0.81(2) 1 d D U P A 2
H9A H 0.9483 0.4583 0.4468 0.083 Uiso 0.81(2) 1 calc R U P A 2
C10A C 0.9048(12) 0.3741(5) 0.5309(3) 0.069(2) Uani 0.81(2) 1 d D U P A 2
H10A H 0.8948 0.4245 0.5669 0.082 Uiso 0.81(2) 1 calc R U P A 2
Ge1 Ge 0.72958(2) 0.35934(2) 0.25112(2) 0.02029(9) Uani 1 1 d . . . . .
N1 N 0.6885(2) 0.20131(15) 0.34535(11) 0.0234(5) Uani 1 1 d . . . . .
N2 N 0.5638(2) 0.34280(15) 0.30882(11) 0.0222(5) Uani 1 1 d . . . . .
N3 N 0.71472(19) 0.36469(14) 0.15175(11) 0.0203(5) Uani 1 1 d . . . . .
N4 N 0.6172(2) 0.53156(15) 0.17807(12) 0.0230(5) Uani 1 1 d . . . . .
Ni1 Ni 0.84012(3) 0.20251(2) 0.27282(2) 0.01980(9) Uani 1 1 d . . . . .
P1 P 0.94561(7) 0.13455(5) 0.35455(4) 0.02483(16) Uani 1 1 d . . . . .
P2 P 0.89908(6) 0.15624(4) 0.16330(3) 0.01837(15) Uani 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
C1 C2 1.395(4) . ?
C1 C6 1.399(4) . ?
C1 P1 1.826(3) . ?
C2 C3 1.397(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.385(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.399(4) . ?
C5 H5 0.9500 . ?
C6 N1 1.421(3) . ?
C7 C12 1.380(4) . ?
C7 C8 1.384(4) . ?
C7 C8A 1.386(3) . ?
C7 P1 1.830(3) . ?
C8 C9 1.384(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.384(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.402(11) . ?
C10 H10 0.9500 . ?
C11 C10A 1.368(5) . ?
C11 C12 1.383(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.385(4) . ?
C13 C18 1.401(4) . ?
C13 P1 1.834(3) . ?
C14 C15 1.398(4) . ?
C14 H14 0.9500 . ?
C14 H14A 0.9500 . ?
C15 C16 1.370(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.378(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 N1 1.327(3) . ?
C19 N2 1.365(3) . ?
C19 C20 1.573(3) . ?
C20 C23 1.533(4) . ?
C20 C21 1.540(4) . ?
C20 C22 1.542(4) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C29 1.402(3) . ?
C24 C25 1.409(4) . ?
C24 N2 1.431(3) . ?
C25 C26 1.392(4) . ?
C25 C30 1.517(4) . ?
C26 C27 1.381(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.375(4) . ?
C27 C31 1.505(4) . ?
C28 C29 1.397(4) . ?
C28 H28 0.9500 . ?
C29 C32 1.520(4) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.393(4) . ?
C33 N3 1.412(3) . ?
C33 C38 1.422(3) . ?
C34 C35 1.376(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.381(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.384(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.390(3) . ?
C37 H37 0.9500 . ?
C38 P2 1.837(3) . ?
C39 C44 1.387(4) . ?
C39 C40 1.406(3) . ?
C39 P2 1.840(2) . ?
C40 C41 1.379(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.384(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.371(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.394(4) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C50 1.378(4) . ?
C45 C46 1.400(4) . ?
C45 P2 1.833(2) . ?
C46 C47 1.377(4) . ?
C46 H46 0.9500 . ?
C47 C48 1.379(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.378(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.396(4) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 N4 1.288(3) . ?
C51 N3 1.401(3) . ?
C51 C52 1.561(3) . ?
C52 C54 1.530(4) . ?
C52 C55 1.534(4) . ?
C52 C53 1.534(3) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C57 1.399(4) . ?
C56 C61 1.413(4) . ?
C56 N4 1.417(3) . ?
C57 C58 1.396(3) . ?
C57 C62 1.512(4) . ?
C58 C59 1.379(4) . ?
C58 H58 0.9500 . ?
C59 C60 1.384(4) . ?
C59 C63 1.530(4) . ?
C60 C61 1.394(4) . ?
C60 H60 0.9500 . ?
C61 C64 1.501(4) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C8A C9A 1.381(3) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.381(3) . ?
C9A H9A 0.9500 . ?
C10A H10A 0.9500 . ?
Ge1 N3 1.961(2) . ?
Ge1 N2 2.015(2) . ?
Ge1 Ni1 2.2559(4) . ?
N1 Ni1 1.950(2) . ?
Ni1 P2 2.1116(8) . ?
Ni1 P1 2.2328(8) . ?

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
C2 C1 C6 119.8(2) . . ?
C2 C1 P1 125.5(2) . . ?
C6 C1 P1 113.57(18) . . ?
C1 C2 C3 120.6(3) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C4 C3 C2 119.0(3) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 121.0(3) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C4 C5 C6 120.2(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 119.1(2) . . ?
C5 C6 N1 121.9(3) . . ?
C1 C6 N1 118.1(2) . . ?
C12 C7 C8 119.9(6) . . ?
C12 C7 C8A 119.1(3) . . ?
C12 C7 P1 122.10(18) . . ?
C8 C7 P1 116.9(6) . . ?
C8A C7 P1 118.7(2) . . ?
C9 C8 C7 119.8(4) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 C10 119.8(4) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C9 C10 C11 120.0(6) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10A C11 C12 120.5(3) . . ?
C12 C11 C10 118.4(7) . . ?
C12 C11 H11 120.8 . . ?
C10 C11 H11 120.8 . . ?
C7 C12 C11 120.2(3) . . ?
C7 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 C18 118.7(3) . . ?
C14 C13 P1 123.2(2) . . ?
C18 C13 P1 118.2(2) . . ?
C13 C14 C15 119.9(3) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14A 120.2 . . ?
C15 C14 H14A 119.9 . . ?
H14 C14 H14A 0.0 . . ?
C16 C15 C14 121.0(3) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C15 C16 C17 119.2(3) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
C16 C17 C18 120.9(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C13 120.3(3) . . ?
C17 C18 H18 119.8 . . ?
C13 C18 H18 119.8 . . ?
N1 C19 N2 115.0(2) . . ?
N1 C19 C20 123.4(2) . . ?
N2 C19 C20 120.6(2) . . ?
C23 C20 C21 104.8(2) . . ?
C23 C20 C22 107.3(3) . . ?
C21 C20 C22 109.0(2) . . ?
C23 C20 C19 108.3(2) . . ?
C21 C20 C19 112.6(2) . . ?
C22 C20 C19 114.3(2) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C24 C25 119.5(3) . . ?
C29 C24 N2 123.2(2) . . ?
C25 C24 N2 117.2(2) . . ?
C26 C25 C24 119.3(2) . . ?
C26 C25 C30 119.1(3) . . ?
C24 C25 C30 121.7(3) . . ?
C27 C26 C25 122.0(3) . . ?
C27 C26 H26 119.0 . . ?
C25 C26 H26 119.0 . . ?
C28 C27 C26 117.8(3) . . ?
C28 C27 C31 121.5(3) . . ?
C26 C27 C31 120.8(3) . . ?
C27 C28 C29 123.1(3) . . ?
C27 C28 H28 118.5 . . ?
C29 C28 H28 118.5 . . ?
C28 C29 C24 118.3(3) . . ?
C28 C29 C32 118.4(2) . . ?
C24 C29 C32 123.3(3) . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C27 C31 H31A 109.5 . . ?
C27 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C27 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 N3 120.7(2) . . ?
C34 C33 C38 118.2(2) . . ?
N3 C33 C38 121.0(2) . . ?
C35 C34 C33 121.9(2) . . ?
C35 C34 H34 119.1 . . ?
C33 C34 H34 119.1 . . ?
C34 C35 C36 120.1(3) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C37 119.2(2) . . ?
C35 C36 H36 120.4 . . ?
C37 C36 H36 120.4 . . ?
C36 C37 C38 122.0(2) . . ?
C36 C37 H37 119.0 . . ?
C38 C37 H37 119.0 . . ?
C37 C38 C33 118.5(2) . . ?
C37 C38 P2 122.17(19) . . ?
C33 C38 P2 119.26(18) . . ?
C44 C39 C40 118.0(2) . . ?
C44 C39 P2 124.19(18) . . ?
C40 C39 P2 117.7(2) . . ?
C41 C40 C39 120.5(3) . . ?
C41 C40 H40 119.7 . . ?
C39 C40 H40 119.7 . . ?
C40 C41 C42 120.5(3) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C43 C42 C41 119.9(3) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 120.0(3) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C39 C44 C43 121.1(2) . . ?
C39 C44 H44 119.4 . . ?
C43 C44 H44 119.4 . . ?
C50 C45 C46 119.0(2) . . ?
C50 C45 P2 118.5(2) . . ?
C46 C45 P2 122.28(19) . . ?
C47 C46 C45 120.8(3) . . ?
C47 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C46 C47 C48 119.9(3) . . ?
C46 C47 H47 120.1 . . ?
C48 C47 H47 120.1 . . ?
C49 C48 C47 120.0(3) . . ?
C49 C48 H48 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C49 C50 120.4(3) . . ?
C48 C49 H49 119.8 . . ?
C50 C49 H49 119.8 . . ?
C45 C50 C49 119.9(3) . . ?
C45 C50 H50 120.0 . . ?
C49 C50 H50 120.0 . . ?
N4 C51 N3 113.7(2) . . ?
N4 C51 C52 126.1(2) . . ?
N3 C51 C52 119.0(2) . . ?
C54 C52 C55 109.1(2) . . ?
C54 C52 C53 107.9(2) . . ?
C55 C52 C53 106.5(2) . . ?
C54 C52 C51 112.7(2) . . ?
C55 C52 C51 106.7(2) . . ?
C53 C52 C51 113.74(19) . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C52 C55 H55A 109.5 . . ?
C52 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C52 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C57 C56 C61 119.6(2) . . ?
C57 C56 N4 120.6(2) . . ?
C61 C56 N4 119.2(2) . . ?
C58 C57 C56 118.8(2) . . ?
C58 C57 C62 119.4(3) . . ?
C56 C57 C62 121.8(2) . . ?
C59 C58 C57 122.6(3) . . ?
C59 C58 H58 118.7 . . ?
C57 C58 H58 118.7 . . ?
C58 C59 C60 117.5(2) . . ?
C58 C59 C63 121.5(3) . . ?
C60 C59 C63 120.9(3) . . ?
C59 C60 C61 122.6(3) . . ?
C59 C60 H60 118.7 . . ?
C61 C60 H60 118.7 . . ?
C60 C61 C56 118.4(3) . . ?
C60 C61 C64 120.6(3) . . ?
C56 C61 C64 120.9(2) . . ?
C57 C62 H62A 109.5 . . ?
C57 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C57 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C59 C63 H63A 109.5 . . ?
C59 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C59 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C9A C8A C7 120.2(3) . . ?
C9A C8A H8A 119.9 . . ?
C7 C8A H8A 119.9 . . ?
C8A C9A C10A 120.4(3) . . ?
C8A C9A H9A 119.8 . . ?
C10A C9A H9A 119.8 . . ?
C11 C10A C9A 119.4(3) . . ?
C11 C10A H10A 120.3 . . ?
C9A C10A H10A 120.3 . . ?
N3 Ge1 N2 105.96(9) . . ?
N3 Ge1 Ni1 110.77(6) . . ?
N2 Ge1 Ni1 92.90(6) . . ?
C19 N1 C6 125.3(2) . . ?
C19 N1 Ni1 126.56(16) . . ?
C6 N1 Ni1 107.89(16) . . ?
C19 N2 C24 122.4(2) . . ?
C19 N2 Ge1 113.58(17) . . ?
C24 N2 Ge1 123.78(15) . . ?
C51 N3 C33 120.8(2) . . ?
C51 N3 Ge1 113.31(16) . . ?
C33 N3 Ge1 123.20(15) . . ?
C51 N4 C56 127.7(2) . . ?
N1 Ni1 P2 132.05(7) . . ?
N1 Ni1 P1 85.03(7) . . ?
P2 Ni1 P1 124.28(3) . . ?
N1 Ni1 Ge1 86.18(6) . . ?
P2 Ni1 Ge1 92.34(2) . . ?
P1 Ni1 Ge1 136.37(2) . . ?
C1 P1 C7 106.58(12) . . ?
C1 P1 C13 102.61(12) . . ?
C7 P1 C13 103.10(13) . . ?
C1 P1 Ni1 92.36(9) . . ?
C7 P1 Ni1 112.64(9) . . ?
C13 P1 Ni1 135.26(9) . . ?
C45 P2 C38 103.97(11) . . ?
C45 P2 C39 100.96(11) . . ?
C38 P2 C39 102.24(11) . . ?
C45 P2 Ni1 125.24(9) . . ?
C38 P2 Ni1 116.42(8) . . ?
C39 P2 Ni1 104.59(9) . . ?

_refine_diff_density_max         0.521
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.069

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1942419'
loop_
_audit_author_name
_audit_author_address
'Gengwen Tan'
;Nanjing University
China
;
_audit_update_record             
;
2019-07-23 deposited with the CCDC.	2019-09-27 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         ?
_chemical_formula_sum            'C78 H84 Cl2 Ge2 N4 Ni P2'
_chemical_formula_weight         1414.22

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'
P P 0.1023 0.0942 '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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   12.7731(14)
_cell_length_b                   13.8926(17)
_cell_length_c                   21.428(3)
_cell_angle_alpha                101.727(4)
_cell_angle_beta                 100.858(3)
_cell_angle_gamma                105.974(3)
_cell_volume                     3456.7(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    4603
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      23.95

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_F_000             1472
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.304
_shelx_estimated_absorpt_T_min   0.799
_shelx_estimated_absorpt_T_max   0.859
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6473
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24825
_diffrn_reflns_av_unetI/netI     0.1320
_diffrn_reflns_av_R_equivalents  0.0735
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.158
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             12118
_reflns_number_gt                7212
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0486P)²+0.9775P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12118
_refine_ls_number_parameters     816
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1244
_refine_ls_R_factor_gt           0.0589
_refine_ls_wR_factor_ref         0.1297
_refine_ls_wR_factor_gt          0.1093
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.010
_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 0.41143(5) 0.26987(5) 0.19655(3) 0.01892(18) Uani 1 1 d . . . . .
P1 P 0.57312(11) 0.27222(11) 0.17854(7) 0.0205(3) Uani 1 1 d . . . . .
P2 P 0.25150(11) 0.17574(11) 0.12654(7) 0.0183(3) Uani 1 1 d . . . . .
Ge1 Ge 0.43058(5) 0.18994(5) 0.27652(3) 0.02291(16) Uani 1 1 d . . . . .
Ge2 Ge 0.39979(4) 0.42460(5) 0.18759(3) 0.02229(16) Uani 1 1 d . . . . .
N1 N 0.5281(4) 0.2009(4) 0.3664(2) 0.0269(12) Uani 1 1 d . . . . .
N2 N 0.5657(4) 0.1446(4) 0.2754(2) 0.0252(11) Uani 1 1 d . . . . .
N3 N 0.2736(3) 0.3925(3) 0.1077(2) 0.0218(11) Uani 1 1 d . . . . .
N4 N 0.2928(3) 0.5055(3) 0.1976(2) 0.0208(11) Uani 1 1 d . . . . .
Cl1 Cl 0.31034(12) 0.03215(12) 0.26581(8) 0.0414(4) Uani 1 1 d . . . . .
Cl2 Cl 0.52909(12) 0.54633(12) 0.16352(9) 0.0429(4) Uani 1 1 d . . . . .
C1 C 0.6045(4) 0.1688(4) 0.3406(3) 0.0247(14) Uani 1 1 d . . . . .
C2 C 0.7163(5) 0.1653(5) 0.3805(3) 0.0305(15) Uani 1 1 d . . . . .
C3 C 0.7968(4) 0.1484(5) 0.3367(3) 0.0387(17) Uani 1 1 d . . . . .
H3A H 0.8720 0.1614 0.3648 0.058 Uiso 1 1 calc R U . . .
H3B H 0.8015 0.1965 0.3089 0.058 Uiso 1 1 calc R U . . .
H3C H 0.7678 0.0767 0.3087 0.058 Uiso 1 1 calc R U . . .
C4 C 0.6927(5) 0.0785(5) 0.4139(3) 0.0441(18) Uani 1 1 d . . . . .
H4A H 0.6545 0.0957 0.4481 0.066 Uiso 1 1 calc R U . . .
H4B H 0.7639 0.0699 0.4341 0.066 Uiso 1 1 calc R U . . .
H4C H 0.6443 0.0136 0.3811 0.066 Uiso 1 1 calc R U . . .
C5 C 0.7776(5) 0.2717(5) 0.4317(3) 0.0443(18) Uani 1 1 d . . . . .
H5A H 0.7297 0.2858 0.4608 0.067 Uiso 1 1 calc R U . . .
H5B H 0.7934 0.3262 0.4088 0.067 Uiso 1 1 calc R U . . .
H5C H 0.8487 0.2706 0.4580 0.067 Uiso 1 1 calc R U . . .
C6 C 0.5203(4) 0.2337(5) 0.4315(3) 0.0286(15) Uani 1 1 d . . . . .
C7 C 0.4699(4) 0.1623(5) 0.4630(3) 0.0342(16) Uani 1 1 d . . . . .
C8 C 0.4562(5) 0.2007(6) 0.5256(3) 0.0446(19) Uani 1 1 d . . . . .
H8 H 0.4245 0.1521 0.5480 0.054 Uiso 1 1 calc R U . . .
C9 C 0.4861(5) 0.3037(6) 0.5561(3) 0.0418(18) Uani 1 1 d . . . . .
C10 C 0.5325(5) 0.3719(5) 0.5229(3) 0.0368(16) Uani 1 1 d . . . . .
H10 H 0.5543 0.4443 0.5433 0.044 Uiso 1 1 calc R U . . .
C11 C 0.5495(5) 0.3406(5) 0.4610(3) 0.0325(15) Uani 1 1 d . . . . .
C12 C 0.5952(5) 0.4200(5) 0.4260(3) 0.0402(17) Uani 1 1 d . . . . .
H12A H 0.6169 0.4900 0.4557 0.060 Uiso 1 1 calc R U . . .
H12B H 0.5372 0.4128 0.3867 0.060 Uiso 1 1 calc R U . . .
H12C H 0.6614 0.4089 0.4130 0.060 Uiso 1 1 calc R U . . .
C13 C 0.4237(5) 0.0474(5) 0.4308(3) 0.0469(19) Uani 1 1 d . . . . .
H13A H 0.3420 0.0269 0.4126 0.070 Uiso 1 1 calc R U . . .
H13B H 0.4396 0.0100 0.4637 0.070 Uiso 1 1 calc R U . . .
H13C H 0.4593 0.0303 0.3952 0.070 Uiso 1 1 calc R U . . .
C14 C 0.4633(5) 0.3399(7) 0.6217(3) 0.063(2) Uani 1 1 d . . . . .
H14A H 0.3845 0.3378 0.6149 0.095 Uiso 1 1 calc R U . . .
H14B H 0.5131 0.4113 0.6437 0.095 Uiso 1 1 calc R U . . .
H14C H 0.4773 0.2943 0.6494 0.095 Uiso 1 1 calc R U . . .
C15 C 0.5938(4) 0.0963(4) 0.2189(3) 0.0228(13) Uani 1 1 d . . . . .
C16 C 0.5979(4) -0.0047(4) 0.2089(3) 0.0292(15) Uani 1 1 d . . . . .
H16 H 0.5890 -0.0397 0.2423 0.035 Uiso 1 1 calc R U . . .
C17 C 0.6150(4) -0.0542(5) 0.1510(3) 0.0308(15) Uani 1 1 d . . . . .
H17 H 0.6196 -0.1224 0.1449 0.037 Uiso 1 1 calc R U . . .
C18 C 0.6253(4) -0.0042(4) 0.1017(3) 0.0282(14) Uani 1 1 d . . . . .
H18 H 0.6374 -0.0380 0.0618 0.034 Uiso 1 1 calc R U . . .
C19 C 0.6179(4) 0.0950(4) 0.1105(3) 0.0230(13) Uani 1 1 d . . . . .
H19 H 0.6238 0.1280 0.0760 0.028 Uiso 1 1 calc R U . . .
C20 C 0.6021(4) 0.1476(4) 0.1690(3) 0.0210(13) Uani 1 1 d . . . . .
C21 C 0.6008(4) 0.3101(4) 0.1044(3) 0.0215(13) Uani 1 1 d . . . . .
C22 C 0.7044(4) 0.3726(5) 0.1022(3) 0.0320(15) Uani 1 1 d . . . . .
H22 H 0.7668 0.3951 0.1399 0.038 Uiso 1 1 calc R U . . .
C23 C 0.7184(5) 0.4029(5) 0.0453(3) 0.0342(16) Uani 1 1 d . . . . .
H23 H 0.7899 0.4460 0.0444 0.041 Uiso 1 1 calc R U . . .
C24 C 0.6277(5) 0.3703(5) -0.0102(3) 0.0333(15) Uani 1 1 d . . . . .
H24 H 0.6370 0.3908 -0.0490 0.040 Uiso 1 1 calc R U . . .
C25 C 0.5259(5) 0.3090(5) -0.0085(3) 0.0322(15) Uani 1 1 d . . . . .
H25 H 0.4636 0.2872 -0.0462 0.039 Uiso 1 1 calc R U . . .
C26 C 0.5118(5) 0.2777(4) 0.0483(3) 0.0305(15) Uani 1 1 d . . . . .
H26 H 0.4402 0.2337 0.0484 0.037 Uiso 1 1 calc R U . . .
C27 C 0.6998(4) 0.3601(4) 0.2432(3) 0.0226(13) Uani 1 1 d . . . . .
C28 C 0.8060(4) 0.3464(5) 0.2473(3) 0.0277(14) Uani 1 1 d . . . . .
H28 H 0.8130 0.2893 0.2174 0.033 Uiso 1 1 calc R U . . .
C29 C 0.8995(5) 0.4158(5) 0.2945(3) 0.0312(15) Uani 1 1 d . . . . .
H29 H 0.9705 0.4052 0.2977 0.037 Uiso 1 1 calc R U . . .
C30 C 0.8912(5) 0.4999(5) 0.3370(3) 0.0391(17) Uani 1 1 d . . . . .
H30 H 0.9564 0.5479 0.3690 0.047 Uiso 1 1 calc R U . . .
C31 C 0.7881(5) 0.5147(5) 0.3332(3) 0.0331(15) Uani 1 1 d . . . . .
H31 H 0.7819 0.5725 0.3629 0.040 Uiso 1 1 calc R U . . .
C32 C 0.6940(4) 0.4454(5) 0.2862(3) 0.0294(15) Uani 1 1 d . . . . .
H32 H 0.6235 0.4570 0.2834 0.035 Uiso 1 1 calc R U . . .
C33 C 0.2216(4) 0.4521(4) 0.1379(3) 0.0205(13) Uani 1 1 d . . . . .
C34 C 0.1035(4) 0.4564(4) 0.1134(3) 0.0234(14) Uani 1 1 d . . . . .
C35 C 0.0351(4) 0.4302(5) 0.1626(3) 0.0344(16) Uani 1 1 d . . . . .
H35A H 0.0309 0.3605 0.1670 0.052 Uiso 1 1 calc R U . . .
H35B H -0.0412 0.4323 0.1468 0.052 Uiso 1 1 calc R U . . .
H35C H 0.0718 0.4811 0.2057 0.052 Uiso 1 1 calc R U . . .
C36 C 0.1102(5) 0.5673(4) 0.1082(3) 0.0338(16) Uani 1 1 d . . . . .
H36A H 0.1368 0.6156 0.1525 0.051 Uiso 1 1 calc R U . . .
H36B H 0.0353 0.5673 0.0868 0.051 Uiso 1 1 calc R U . . .
H36C H 0.1628 0.5893 0.0819 0.051 Uiso 1 1 calc R U . . .
C37 C 0.0402(5) 0.3804(5) 0.0462(3) 0.0371(16) Uani 1 1 d . . . . .
H37A H 0.0775 0.4010 0.0128 0.056 Uiso 1 1 calc R U . . .
H37B H -0.0376 0.3811 0.0351 0.056 Uiso 1 1 calc R U . . .
H37C H 0.0398 0.3102 0.0476 0.056 Uiso 1 1 calc R U . . .
C38 C 0.2793(4) 0.5808(4) 0.2500(3) 0.0204(13) Uani 1 1 d . . . . .
C39 C 0.2416(4) 0.5486(4) 0.3017(3) 0.0241(14) Uani 1 1 d . . . . .
C40 C 0.2214(5) 0.6209(5) 0.3490(3) 0.0309(15) Uani 1 1 d . . . . .
H40 H 0.1939 0.5995 0.3839 0.037 Uiso 1 1 calc R U . . .
C41 C 0.2397(5) 0.7224(5) 0.3470(3) 0.0403(17) Uani 1 1 d . . . . .
C42 C 0.2876(5) 0.7546(5) 0.2986(3) 0.0320(15) Uani 1 1 d . . . . .
H42 H 0.3058 0.8257 0.2986 0.038 Uiso 1 1 calc R U . . .
C43 C 0.3094(4) 0.6860(5) 0.2503(3) 0.0269(14) Uani 1 1 d . . . . .
C44 C 0.3684(5) 0.7268(5) 0.2016(3) 0.0363(16) Uani 1 1 d . . . . .
H44A H 0.3588 0.6688 0.1638 0.054 Uiso 1 1 calc R U . . .
H44B H 0.4489 0.7614 0.2230 0.054 Uiso 1 1 calc R U . . .
H44C H 0.3358 0.7766 0.1862 0.054 Uiso 1 1 calc R U . . .
C45 C 0.2245(5) 0.4388(5) 0.3063(3) 0.0374(16) Uani 1 1 d . . . . .
H45A H 0.1774 0.3899 0.2642 0.056 Uiso 1 1 calc R U . . .
H45B H 0.1873 0.4272 0.3415 0.056 Uiso 1 1 calc R U . . .
H45C H 0.2978 0.4280 0.3164 0.056 Uiso 1 1 calc R U . . .
C46 C 0.2085(6) 0.7961(5) 0.3962(3) 0.059(2) Uani 1 1 d . . . . .
H46A H 0.1496 0.7563 0.4133 0.089 Uiso 1 1 calc R U . . .
H46B H 0.1803 0.8431 0.3747 0.089 Uiso 1 1 calc R U . . .
H46C H 0.2751 0.8367 0.4328 0.089 Uiso 1 1 calc R U . . .
C47 C 0.2426(4) 0.3153(4) 0.0477(3) 0.0223(13) Uani 1 1 d . . . . .
C48 C 0.2412(5) 0.3423(5) -0.0120(3) 0.0341(16) Uani 1 1 d . . . . .
H48 H 0.2595 0.4136 -0.0115 0.041 Uiso 1 1 calc R U . . .
C49 C 0.2142(5) 0.2690(5) -0.0708(3) 0.0332(15) Uani 1 1 d . . . . .
H49 H 0.2134 0.2890 -0.1107 0.040 Uiso 1 1 calc R U . . .
C50 C 0.1879(4) 0.1647(5) -0.0716(3) 0.0319(15) Uani 1 1 d . . . . .
H50 H 0.1652 0.1127 -0.1123 0.038 Uiso 1 1 calc R U . . .
C51 C 0.1948(4) 0.1370(4) -0.0133(3) 0.0241(14) Uani 1 1 d . . . . .
H51 H 0.1794 0.0656 -0.0146 0.029 Uiso 1 1 calc R U . . .
C52 C 0.2237(4) 0.2103(4) 0.0478(3) 0.0196(13) Uani 1 1 d . . . . .
C53 C 0.1191(4) 0.1693(4) 0.1492(3) 0.0180(12) Uani 1 1 d . . . . .
C54 C 0.0169(4) 0.1440(4) 0.1021(3) 0.0243(13) Uani 1 1 d . . . . .
H54 H 0.0168 0.1364 0.0570 0.029 Uiso 1 1 calc R U . . .
C55 C -0.0843(4) 0.1298(4) 0.1193(3) 0.0260(14) Uani 1 1 d . . . . .
H55 H -0.1523 0.1160 0.0868 0.031 Uiso 1 1 calc R U . . .
C56 C -0.0849(4) 0.1358(4) 0.1839(3) 0.0272(14) Uani 1 1 d . . . . .
H56 H -0.1546 0.1223 0.1956 0.033 Uiso 1 1 calc R U . . .
C57 C 0.0144(4) 0.1614(4) 0.2323(3) 0.0283(15) Uani 1 1 d . . . . .
H57 H 0.0133 0.1671 0.2771 0.034 Uiso 1 1 calc R U . . .
C58 C 0.1159(4) 0.1785(4) 0.2146(3) 0.0239(14) Uani 1 1 d . . . . .
H58 H 0.1843 0.1970 0.2477 0.029 Uiso 1 1 calc R U . . .
C59 C 0.2316(4) 0.0362(4) 0.0982(3) 0.0194(13) Uani 1 1 d . . . . .
C60 C 0.3210(4) 0.0083(4) 0.0796(3) 0.0255(14) Uani 1 1 d . . . . .
H60 H 0.3875 0.0610 0.0806 0.031 Uiso 1 1 calc R U . . .
C61 C 0.3138(5) -0.0947(4) 0.0600(3) 0.0278(14) Uani 1 1 d . . . . .
H61 H 0.3747 -0.1126 0.0472 0.033 Uiso 1 1 calc R U . . .
C62 C 0.2174(5) -0.1723(5) 0.0590(3) 0.0313(15) Uani 1 1 d . . . . .
H62 H 0.2121 -0.2433 0.0455 0.038 Uiso 1 1 calc R U . . .
C63 C 0.1298(5) -0.1458(4) 0.0776(3) 0.0306(15) Uani 1 1 d . . . . .
H63 H 0.0641 -0.1989 0.0772 0.037 Uiso 1 1 calc R U . . .
C64 C 0.1359(4) -0.0426(4) 0.0968(3) 0.0260(14) Uani 1 1 d . . . . .
H64 H 0.0743 -0.0256 0.1092 0.031 Uiso 1 1 calc R U . . .
C71 C 0.8363(6) 0.8002(7) 0.2666(4) 0.063(2) Uani 1 1 d . . . . .
C72 C 0.9152(7) 0.8953(7) 0.2662(5) 0.094(3) Uani 1 1 d . . . . .
H72 H 0.9011 0.9591 0.2792 0.112 Uiso 1 1 calc R U . . .
C73 C 1.0105(7) 0.8942(8) 0.2471(5) 0.087(3) Uani 1 1 d . . . . .
H73 H 1.0620 0.9573 0.2457 0.105 Uiso 1 1 calc R U . . .
C74 C 1.0329(8) 0.8039(9) 0.2302(4) 0.087(3) Uani 1 1 d . . . . .
H74 H 1.1008 0.8056 0.2177 0.104 Uiso 1 1 calc R U . . .
C75 C 0.9594(8) 0.7080(8) 0.2303(5) 0.091(3) Uani 1 1 d . . . . .
H75 H 0.9742 0.6443 0.2184 0.109 Uiso 1 1 calc R U . . .
C76 C 0.8645(8) 0.7146(7) 0.2491(4) 0.073(3) Uani 1 1 d . . . . .
H76 H 0.8128 0.6512 0.2499 0.088 Uiso 1 1 calc R U . . .
C77 C 0.7374(8) 0.8038(8) 0.2867(5) 0.105(3) Uani 1 1 d . . . . .
H77A H 0.6867 0.7328 0.2790 0.157 Uiso 1 1 calc R U . . .
H77B H 0.6992 0.8411 0.2612 0.157 Uiso 1 1 calc R U . . .
H77C H 0.7579 0.8398 0.3338 0.157 Uiso 1 1 calc R U . . .
C81 C 0.1210(8) 0.2945(9) 0.4724(6) 0.090(3) Uani 1 1 d . . . . .
C82 C 0.0839(8) 0.2443(10) 0.5157(5) 0.105(4) Uani 1 1 d . . . . .
H82 H 0.0511 0.2772 0.5464 0.126 Uiso 1 1 calc R U . . .
C83 C 0.0910(10) 0.1486(12) 0.5178(8) 0.153(6) Uani 1 1 d . . . . .
H83A H 0.0684 0.1151 0.5498 0.183 Uiso 1 1 calc R U . . .
C84 C 0.1378(10) 0.1015(11) 0.4649(8) 0.130(5) Uani 1 1 d . . . . .
H84A H 0.1432 0.0339 0.4615 0.156 Uiso 1 1 calc R U . . .
C85 C 0.1740(10) 0.1567(13) 0.4199(7) 0.137(5) Uani 1 1 d . . . . .
H85 H 0.1998 0.1234 0.3856 0.164 Uiso 1 1 calc R U . . .
C86 C 0.1734(10) 0.2526(11) 0.4239(6) 0.121(4) Uani 1 1 d . . . . .
H86 H 0.2054 0.2917 0.3966 0.145 Uiso 1 1 calc R U . . .
C87 C 0.1060(9) 0.4007(11) 0.4698(6) 0.151(5) Uani 1 1 d . . . . .
H87A H 0.0647 0.4201 0.5018 0.226 Uiso 1 1 calc R U . . .
H87B H 0.0636 0.3953 0.4254 0.226 Uiso 1 1 calc R U . . .
H87C H 0.1802 0.4539 0.4807 0.226 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 P1 2.1642(14) . ?
Ni1 P2 2.1705(15) . ?
Ni1 Ge1 2.2350(9) . ?
Ni1 Ge2 2.2388(9) . ?
P1 C21 1.837(5) . ?
P1 C27 1.847(6) . ?
P1 C20 1.848(5) . ?
P2 C53 1.829(5) . ?
P2 C59 1.839(5) . ?
P2 C52 1.843(5) . ?
Ge1 N2 1.996(4) . ?
Ge1 N1 2.039(4) . ?
Ge1 Cl1 2.2418(16) . ?
Ge2 N3 1.997(4) . ?
Ge2 N4 2.009(4) . ?
Ge2 Cl2 2.2341(16) . ?
Ge2 C33 2.488(5) . ?
N1 C1 1.341(7) . ?
N1 C6 1.407(7) . ?
N2 C1 1.329(7) . ?
N2 C15 1.417(7) . ?
N3 C33 1.338(6) . ?
N3 C47 1.405(7) . ?
N4 C33 1.349(7) . ?
N4 C38 1.443(6) . ?
C1 C2 1.541(7) . ?
C2 C4 1.512(8) . ?
C2 C5 1.543(8) . ?
C2 C3 1.549(7) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.393(8) . ?
C6 C11 1.404(8) . ?
C7 C8 1.402(8) . ?
C7 C13 1.501(9) . ?
C8 C9 1.359(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.371(8) . ?
C9 C14 1.503(8) . ?
C10 C11 1.384(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.505(8) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.393(7) . ?
C15 C20 1.404(7) . ?
C16 C17 1.378(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.384(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.397(7) . ?
C19 H19 0.9500 . ?
C21 C22 1.383(7) . ?
C21 C26 1.388(7) . ?
C22 C23 1.396(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.390(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.356(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.399(7) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.374(8) . ?
C27 C28 1.410(7) . ?
C28 C29 1.376(8) . ?
C28 H28 0.9500 . ?
C29 C30 1.370(8) . ?
C29 H29 0.9500 . ?
C30 C31 1.377(7) . ?
C30 H30 0.9500 . ?
C31 C32 1.378(8) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.522(7) . ?
C34 C37 1.522(8) . ?
C34 C35 1.529(7) . ?
C34 C36 1.548(7) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.393(7) . ?
C38 C43 1.403(7) . ?
C39 C40 1.390(8) . ?
C39 C45 1.507(7) . ?
C40 C41 1.375(8) . ?
C40 H40 0.9500 . ?
C41 C42 1.389(8) . ?
C41 C46 1.504(8) . ?
C42 C43 1.383(8) . ?
C42 H42 0.9500 . ?
C43 C44 1.510(7) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C48 1.402(7) . ?
C47 C52 1.413(7) . ?
C48 C49 1.366(8) . ?
C48 H48 0.9500 . ?
C49 C50 1.389(8) . ?
C49 H49 0.9500 . ?
C50 C51 1.373(7) . ?
C50 H50 0.9500 . ?
C51 C52 1.400(7) . ?
C51 H51 0.9500 . ?
C53 C58 1.391(7) . ?
C53 C54 1.398(7) . ?
C54 C55 1.383(7) . ?
C54 H54 0.9500 . ?
C55 C56 1.371(7) . ?
C55 H55 0.9500 . ?
C56 C57 1.386(7) . ?
C56 H56 0.9500 . ?
C57 C58 1.390(7) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C64 1.389(7) . ?
C59 C60 1.402(7) . ?
C60 C61 1.378(7) . ?
C60 H60 0.9500 . ?
C61 C62 1.389(7) . ?
C61 H61 0.9500 . ?
C62 C63 1.371(7) . ?
C62 H62 0.9500 . ?
C63 C64 1.384(7) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
C71 C76 1.338(10) . ?
C71 C77 1.420(9) . ?
C71 C72 1.427(10) . ?
C72 C73 1.358(10) . ?
C72 H72 0.9500 . ?
C73 C74 1.356(11) . ?
C73 H73 0.9500 . ?
C74 C75 1.404(12) . ?
C74 H74 0.9500 . ?
C75 C76 1.367(11) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C81 C82 1.349(13) . ?
C81 C86 1.449(14) . ?
C81 C87 1.549(13) . ?
C82 C83 1.366(14) . ?
C82 H82 0.9500 . ?
C83 C84 1.495(17) . ?
C83 H83A 0.9500 . ?
C84 C85 1.416(15) . ?
C84 H84A 0.9500 . ?
C85 C86 1.320(14) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?

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
P1 Ni1 P2 123.30(6) . . ?
P1 Ni1 Ge1 93.68(5) . . ?
P2 Ni1 Ge1 105.65(5) . . ?
P1 Ni1 Ge2 103.72(5) . . ?
P2 Ni1 Ge2 96.81(5) . . ?
Ge1 Ni1 Ge2 137.31(4) . . ?
C21 P1 C27 101.9(2) . . ?
C21 P1 C20 102.8(2) . . ?
C27 P1 C20 101.0(2) . . ?
C21 P1 Ni1 116.19(16) . . ?
C27 P1 Ni1 116.83(18) . . ?
C20 P1 Ni1 115.78(16) . . ?
C53 P2 C59 100.1(2) . . ?
C53 P2 C52 100.8(2) . . ?
C59 P2 C52 101.9(2) . . ?
C53 P2 Ni1 120.19(18) . . ?
C59 P2 Ni1 115.61(16) . . ?
C52 P2 Ni1 115.42(17) . . ?
N2 Ge1 N1 64.12(18) . . ?
N2 Ge1 Ni1 107.02(13) . . ?
N1 Ge1 Ni1 144.24(13) . . ?
N2 Ge1 Cl1 95.94(14) . . ?
N1 Ge1 Cl1 94.98(14) . . ?
Ni1 Ge1 Cl1 120.74(5) . . ?
N3 Ge2 N4 64.89(17) . . ?
N3 Ge2 Cl2 98.53(13) . . ?
N4 Ge2 Cl2 96.37(13) . . ?
N3 Ge2 Ni1 105.18(13) . . ?
N4 Ge2 Ni1 137.93(12) . . ?
Cl2 Ge2 Ni1 125.68(5) . . ?
N3 Ge2 C33 32.42(17) . . ?
N4 Ge2 C33 32.76(17) . . ?
Cl2 Ge2 C33 102.05(12) . . ?
Ni1 Ge2 C33 123.74(12) . . ?
C1 N1 C6 133.4(4) . . ?
C1 N1 Ge1 93.3(3) . . ?
C6 N1 Ge1 133.2(3) . . ?
C1 N2 C15 137.5(5) . . ?
C1 N2 Ge1 95.7(3) . . ?
C15 N2 Ge1 126.7(3) . . ?
C33 N3 C47 134.5(4) . . ?
C33 N3 Ge2 94.5(3) . . ?
C47 N3 Ge2 129.5(3) . . ?
C33 N4 C38 129.5(4) . . ?
C33 N4 Ge2 93.6(3) . . ?
C38 N4 Ge2 136.3(3) . . ?
N2 C1 N1 106.7(4) . . ?
N2 C1 C2 128.0(5) . . ?
N1 C1 C2 125.3(5) . . ?
C4 C2 C1 109.7(5) . . ?
C4 C2 C5 111.2(5) . . ?
C1 C2 C5 108.3(5) . . ?
C4 C2 C3 109.1(5) . . ?
C1 C2 C3 112.1(5) . . ?
C5 C2 C3 106.5(5) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C11 119.6(6) . . ?
C7 C6 N1 120.9(6) . . ?
C11 C6 N1 118.8(5) . . ?
C6 C7 C8 118.1(6) . . ?
C6 C7 C13 122.6(6) . . ?
C8 C7 C13 119.2(6) . . ?
C9 C8 C7 123.4(6) . . ?
C9 C8 H8 118.3 . . ?
C7 C8 H8 118.3 . . ?
C8 C9 C10 116.9(6) . . ?
C8 C9 C14 120.9(7) . . ?
C10 C9 C14 122.2(7) . . ?
C9 C10 C11 123.4(6) . . ?
C9 C10 H10 118.3 . . ?
C11 C10 H10 118.3 . . ?
C10 C11 C6 118.4(6) . . ?
C10 C11 C12 120.4(6) . . ?
C6 C11 C12 121.2(5) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 C13 H13A 109.5 . . ?
C7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 120.5(5) . . ?
C16 C15 N2 121.1(5) . . ?
C20 C15 N2 117.8(5) . . ?
C17 C16 C15 120.5(5) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 119.8(5) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C19 C18 C17 120.0(5) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 121.5(5) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C19 C20 C15 117.7(5) . . ?
C19 C20 P1 122.6(4) . . ?
C15 C20 P1 119.2(4) . . ?
C22 C21 C26 118.1(5) . . ?
C22 C21 P1 123.7(4) . . ?
C26 C21 P1 118.2(4) . . ?
C21 C22 C23 120.8(5) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C24 C23 C22 120.0(5) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C25 C24 C23 119.6(5) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C24 C25 C26 120.5(5) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C21 C26 C25 120.9(5) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C32 C27 C28 118.1(5) . . ?
C32 C27 P1 120.2(4) . . ?
C28 C27 P1 121.6(4) . . ?
C29 C28 C27 120.0(6) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C30 C29 C28 120.6(5) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C29 C30 C31 119.9(6) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C30 C31 C32 119.8(6) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
C27 C32 C31 121.5(5) . . ?
C27 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
N3 C33 N4 106.2(4) . . ?
N3 C33 C34 128.4(5) . . ?
N4 C33 C34 125.3(5) . . ?
N3 C33 Ge2 53.1(3) . . ?
N4 C33 Ge2 53.7(2) . . ?
C34 C33 Ge2 170.5(3) . . ?
C37 C34 C33 112.9(4) . . ?
C37 C34 C35 108.0(5) . . ?
C33 C34 C35 109.3(4) . . ?
C37 C34 C36 108.1(5) . . ?
C33 C34 C36 109.9(4) . . ?
C35 C34 C36 108.4(5) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C43 120.8(5) . . ?
C39 C38 N4 119.1(5) . . ?
C43 C38 N4 120.0(5) . . ?
C40 C39 C38 118.0(5) . . ?
C40 C39 C45 121.1(5) . . ?
C38 C39 C45 120.9(5) . . ?
C41 C40 C39 122.3(6) . . ?
C41 C40 H40 118.8 . . ?
C39 C40 H40 118.8 . . ?
C40 C41 C42 118.2(6) . . ?
C40 C41 C46 120.6(6) . . ?
C42 C41 C46 121.3(6) . . ?
C43 C42 C41 121.8(6) . . ?
C43 C42 H42 119.1 . . ?
C41 C42 H42 119.1 . . ?
C42 C43 C38 118.3(5) . . ?
C42 C43 C44 119.4(5) . . ?
C38 C43 C44 122.3(5) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C39 C45 H45A 109.5 . . ?
C39 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C39 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48 C47 N3 120.6(5) . . ?
C48 C47 C52 119.2(5) . . ?
N3 C47 C52 119.8(5) . . ?
C49 C48 C47 121.8(6) . . ?
C49 C48 H48 119.1 . . ?
C47 C48 H48 119.1 . . ?
C48 C49 C50 119.2(6) . . ?
C48 C49 H49 120.4 . . ?
C50 C49 H49 120.4 . . ?
C51 C50 C49 120.0(6) . . ?
C51 C50 H50 120.0 . . ?
C49 C50 H50 120.0 . . ?
C50 C51 C52 122.2(5) . . ?
C50 C51 H51 118.9 . . ?
C52 C51 H51 118.9 . . ?
C51 C52 C47 117.3(5) . . ?
C51 C52 P2 122.2(4) . . ?
C47 C52 P2 120.1(4) . . ?
C58 C53 C54 117.6(4) . . ?
C58 C53 P2 119.7(4) . . ?
C54 C53 P2 122.4(4) . . ?
C55 C54 C53 121.8(5) . . ?
C55 C54 H54 119.1 . . ?
C53 C54 H54 119.1 . . ?
C56 C55 C54 119.0(5) . . ?
C56 C55 H55 120.5 . . ?
C54 C55 H55 120.5 . . ?
C55 C56 C57 121.1(5) . . ?
C55 C56 H56 119.5 . . ?
C57 C56 H56 119.5 . . ?
C56 C57 C58 119.2(5) . . ?
C56 C57 H57 120.4 . . ?
C58 C57 H57 120.4 . . ?
C57 C58 C53 121.2(5) . . ?
C57 C58 H58 119.4 . . ?
C53 C58 H58 119.4 . . ?
C64 C59 C60 118.2(5) . . ?
C64 C59 P2 124.2(4) . . ?
C60 C59 P2 117.5(4) . . ?
C61 C60 C59 120.9(5) . . ?
C61 C60 H60 119.6 . . ?
C59 C60 H60 119.6 . . ?
C60 C61 C62 120.0(5) . . ?
C60 C61 H61 120.0 . . ?
C62 C61 H61 120.0 . . ?
C63 C62 C61 119.6(5) . . ?
C63 C62 H62 120.2 . . ?
C61 C62 H62 120.2 . . ?
C62 C63 C64 120.8(5) . . ?
C62 C63 H63 119.6 . . ?
C64 C63 H63 119.6 . . ?
C63 C64 C59 120.5(5) . . ?
C63 C64 H64 119.7 . . ?
C59 C64 H64 119.7 . . ?
C76 C71 C77 125.6(9) . . ?
C76 C71 C72 116.0(8) . . ?
C77 C71 C72 118.5(8) . . ?
C73 C72 C71 119.8(8) . . ?
C73 C72 H72 120.1 . . ?
C71 C72 H72 120.1 . . ?
C74 C73 C72 120.6(9) . . ?
C74 C73 H73 119.7 . . ?
C72 C73 H73 119.7 . . ?
C73 C74 C75 122.4(9) . . ?
C73 C74 H74 118.8 . . ?
C75 C74 H74 118.8 . . ?
C76 C75 C74 113.9(9) . . ?
C76 C75 H75 123.1 . . ?
C74 C75 H75 123.1 . . ?
C71 C76 C75 127.4(9) . . ?
C71 C76 H76 116.3 . . ?
C75 C76 H76 116.3 . . ?
C71 C77 H77A 109.5 . . ?
C71 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C71 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C82 C81 C86 123.2(12) . . ?
C82 C81 C87 121.4(12) . . ?
C86 C81 C87 115.3(12) . . ?
C81 C82 C83 123.3(14) . . ?
C81 C82 H82 118.3 . . ?
C83 C82 H82 118.3 . . ?
C82 C83 C84 113.8(13) . . ?
C82 C83 H83A 123.1 . . ?
C84 C83 H83A 123.1 . . ?
C85 C84 C83 120.6(13) . . ?
C85 C84 H84A 119.7 . . ?
C83 C84 H84A 119.7 . . ?
C86 C85 C84 122.6(14) . . ?
C86 C85 H85 118.7 . . ?
C84 C85 H85 118.7 . . ?
C85 C86 C81 116.0(13) . . ?
C85 C86 H86 122.0 . . ?
C81 C86 H86 122.0 . . ?
C81 C87 H87A 109.5 . . ?
C81 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C81 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?

_refine_diff_density_max         0.534
_refine_diff_density_min         -0.672
_refine_diff_density_rms         0.096

