#------------------------------------------------------------------------------
#$Date: 2023-08-10 01:57:07 +0300 (Thu, 10 Aug 2023) $
#$Revision: 285608 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/37/7713722.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7713722
loop_
_publ_author_name
'Vrána, Jan'
'Ruzickova, Zdenka'
'R°užička, Aleš'
'Dostál, Libor'
_publ_section_title
;
 Synthesis and reactivity of alkali metal aluminates bearing
 bis(organoamido)phosphane ligand
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT01859H
_journal_year                    2023
_chemical_formula_moiety         'C18 H35 Al Cl Ge N2 P'
_chemical_formula_sum            'C18 H35 Al Cl Ge N2 P'
_chemical_formula_weight         445.47
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2023-03-07 deposited with the CCDC.	2023-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 131.731(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.5602(3)
_cell_length_b                   12.0744(4)
_cell_length_c                   27.8681(3)
_cell_measurement_reflns_used    56816
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     4660.8(2)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(1)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_av_unetI/netI     0.0332
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.937
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            56816
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.950
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.539
_exptl_absorpt_correction_T_max  0.691
_exptl_absorpt_correction_T_min  0.521
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.41
_refine_diff_density_max         0.933
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.229
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         10045
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.229
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0438
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0276P)²+10.1905P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.1176
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7474
_reflns_number_total             10045
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01859h2.cif
_cod_data_source_block           ld150331Ge1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7713722
_shelx_shelxl_version_number     2017/1
_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Ge2 Ge -0.16318(3) 0.21263(3) 0.35660(2) 0.02600(10) Uani 1 1 d . . . . .
Ge1 Ge 0.30072(3) 0.21052(3) 0.31756(2) 0.02919(11) Uani 1 1 d . . . . .
P1 P 0.46339(6) 0.19888(6) 0.36622(4) 0.01721(17) Uani 1 1 d . . . . .
P2 P -0.01349(6) 0.20436(7) 0.38286(4) 0.01758(17) Uani 1 1 d . . . . .
Al2 Al 0.08501(7) 0.37794(8) 0.40054(5) 0.0212(2) Uani 1 1 d . . . . .
Al1 Al 0.57459(7) 0.36996(8) 0.40320(5) 0.0202(2) Uani 1 1 d . . . . .
Cl1 Cl 0.21457(7) 0.14234(9) 0.22085(6) 0.0521(3) Uani 1 1 d . . . . .
Cl2 Cl -0.27118(7) 0.13104(9) 0.26402(6) 0.0467(3) Uani 1 1 d . . . . .
N4 N 0.06688(19) 0.2798(2) 0.44575(13) 0.0204(6) Uani 1 1 d . . . . .
N1 N 0.49106(19) 0.2712(2) 0.33188(13) 0.0184(5) Uani 1 1 d . . . . .
C1 C 0.4961(2) 0.0541(3) 0.37610(16) 0.0198(7) Uani 1 1 d . . . . .
N2 N 0.5326(2) 0.2678(2) 0.43310(13) 0.0209(6) Uani 1 1 d . . . . .
C115 C -0.1982(3) 0.3677(3) 0.3431(2) 0.0339(9) Uani 1 1 d . . . . .
115A H -0.266453 0.375218 0.307667 0.041 Uiso 1 1 d R U . . .
115B H -0.163953 0.406828 0.333577 0.041 Uiso 1 1 d R U . . .
115C H -0.181633 0.398028 0.381177 0.041 Uiso 1 1 d R U . . .
C101 C 0.0230(2) 0.0613(3) 0.39240(15) 0.0199(6) Uani 1 1 d . . . . .
N3 N -0.00880(19) 0.2736(2) 0.33538(13) 0.0213(6) Uani 1 1 d . . . . .
C11 C 0.5492(3) 0.2595(3) 0.49264(18) 0.0303(8) Uani 1 1 d . . . . .
C106 C -0.0346(3) -0.0286(3) 0.37868(18) 0.0289(8) Uani 1 1 d . . . . .
H106 H -0.096454 -0.016936 0.363188 0.035 Uiso 1 1 d R U . . .
C6 C 0.4297(3) -0.0324(3) 0.34877(17) 0.0248(7) Uani 1 1 d . . . . .
H6 H 0.364216 -0.017205 0.322784 0.030 Uiso 1 1 d R U . . .
C17 C 0.5274(3) 0.5226(3) 0.38817(18) 0.0317(8) Uani 1 1 d . . . . .
H17A H 0.520861 0.554571 0.353923 0.038 Uiso 1 1 d R U . . .
H17B H 0.572561 0.565241 0.426663 0.038 Uiso 1 1 d R U . . .
H17C H 0.465772 0.522681 0.376653 0.038 Uiso 1 1 d R U . . .
C16 C 0.2666(3) 0.3656(3) 0.3059(2) 0.0382(9) Uani 1 1 d . . . . .
H16A H 0.197698 0.372601 0.277856 0.046 Uiso 1 1 d R U . . .
H16B H 0.288618 0.402821 0.287326 0.046 Uiso 1 1 d R U . . .
H16C H 0.296328 0.398221 0.346826 0.046 Uiso 1 1 d R U . . .
C111 C 0.1044(3) 0.2781(3) 0.51158(16) 0.0241(7) Uani 1 1 d . . . . .
C117 C 0.0374(3) 0.5295(3) 0.38791(19) 0.0332(9) Uani 1 1 d . . . . .
117A H -0.027938 0.527511 0.370479 0.040 Uiso 1 1 d R U . . .
117B H 0.039422 0.567441 0.358569 0.040 Uiso 1 1 d R U . . .
117C H 0.077252 0.567791 0.428359 0.040 Uiso 1 1 d R U . . .
C2 C 0.5937(3) 0.0299(3) 0.41364(18) 0.0291(8) Uani 1 1 d . . . . .
H2 H 0.638560 0.086974 0.431119 0.035 Uiso 1 1 d R U . . .
C118 C 0.2143(3) 0.3686(3) 0.4283(2) 0.0371(9) Uani 1 1 d . . . . .
118A H 0.258371 0.415129 0.465217 0.045 Uiso 1 1 d R U . . .
118B H 0.210841 0.392780 0.394027 0.045 Uiso 1 1 d R U . . .
118C H 0.236631 0.293389 0.439306 0.045 Uiso 1 1 d R U . . .
C3 C 0.6242(3) -0.0790(3) 0.42495(19) 0.0357(9) Uani 1 1 d . . . . .
H3 H 0.689688 -0.094698 0.450953 0.043 Uiso 1 1 d R U . . .
C104 C 0.0912(3) -0.1535(3) 0.41090(18) 0.0321(8) Uani 1 1 d . . . . .
H104 H 0.114503 -0.225309 0.417888 0.038 Uiso 1 1 d R U . . .
C4 C 0.5584(3) -0.1645(3) 0.39833(19) 0.0330(9) Uani 1 1 d . . . . .
H4 H 0.579587 -0.237454 0.405982 0.040 Uiso 1 1 d R U . . .
C5 C 0.4614(3) -0.1422(3) 0.36013(18) 0.0290(8) Uani 1 1 d . . . . .
H5 H 0.417193 -0.200027 0.342131 0.035 Uiso 1 1 d R U . . .
C105 C -0.0006(3) -0.1361(3) 0.38786(19) 0.0339(9) Uani 1 1 d . . . . .
H105 H -0.039557 -0.196220 0.378459 0.041 Uiso 1 1 d R U . . .
C107 C -0.0602(3) 0.2621(3) 0.26676(17) 0.0292(8) Uani 1 1 d . . . . .
C103 C 0.1489(3) -0.0645(3) 0.42378(19) 0.0338(9) Uani 1 1 d . . . . .
H103 H 0.210355 -0.076461 0.438601 0.041 Uiso 1 1 d R U . . .
C116 C -0.1731(3) 0.1340(3) 0.4130(2) 0.0433(11) Uani 1 1 d . . . . .
116A H -0.149133 0.180033 0.449076 0.052 Uiso 1 1 d R U . . .
116B H -0.135633 0.067212 0.428036 0.052 Uiso 1 1 d R U . . .
116C H -0.239443 0.115892 0.389617 0.052 Uiso 1 1 d R U . . .
C102 C 0.1148(3) 0.0425(3) 0.41455(18) 0.0283(8) Uani 1 1 d . . . . .
H102 H 0.153606 0.102233 0.423281 0.034 Uiso 1 1 d R U . . .
C7 C 0.4627(2) 0.2648(3) 0.26860(16) 0.0258(7) Uani 1 1 d . . . . .
C18 C 0.7128(3) 0.3572(3) 0.4486(2) 0.0375(9) Uani 1 1 d . . . . .
H18A H 0.729860 0.280381 0.453681 0.045 Uiso 1 1 d R U . . .
H18B H 0.750321 0.391321 0.490161 0.045 Uiso 1 1 d R U . . .
H18C H 0.725500 0.393581 0.424291 0.045 Uiso 1 1 d R U . . .
C108 C -0.0840(3) 0.1423(3) 0.2442(2) 0.0424(10) Uani 1 1 d . . . . .
108A H -0.025440 0.100183 0.267798 0.051 Uiso 1 1 d R U . . .
108B H -0.117820 0.139633 0.199208 0.051 Uiso 1 1 d R U . . .
108C H -0.124030 0.111473 0.251278 0.051 Uiso 1 1 d R U . . .
C112 C 0.1136(3) 0.1608(3) 0.53545(18) 0.0301(8) Uani 1 1 d . . . . .
112A H 0.050745 0.127594 0.509761 0.036 Uiso 1 1 d R U . . .
112B H 0.142365 0.163394 0.579531 0.036 Uiso 1 1 d R U . . .
112C H 0.153495 0.117554 0.532121 0.036 Uiso 1 1 d R U . . .
C13 C 0.5505(4) 0.1401(3) 0.5100(2) 0.0494(12) Uani 1 1 d . . . . .
H13A H 0.487505 0.108424 0.477948 0.059 Uiso 1 1 d R U . . .
H13B H 0.568204 0.137194 0.551137 0.059 Uiso 1 1 d R U . . .
H13C H 0.596564 0.098874 0.511847 0.059 Uiso 1 1 d R U . . .
C15 C 0.2643(3) 0.1211(3) 0.3572(2) 0.0441(11) Uani 1 1 d . . . . .
H15A H 0.294611 0.150499 0.398888 0.053 Uiso 1 1 d R U . . .
H15B H 0.285080 0.046119 0.361548 0.053 Uiso 1 1 d R U . . .
H15C H 0.195490 0.122849 0.330588 0.053 Uiso 1 1 d R U . . .
C110 C 0.0077(4) 0.3092(4) 0.2586(2) 0.0491(12) Uani 1 1 d . . . . .
110A H 0.021733 0.385161 0.272218 0.059 Uiso 1 1 d R U . . .
110B H -0.022747 0.304751 0.214268 0.059 Uiso 1 1 d R U . . .
110C H 0.066673 0.267361 0.284348 0.059 Uiso 1 1 d R U . . .
C10 C 0.3756(3) 0.3400(3) 0.22084(18) 0.0372(9) Uani 1 1 d . . . . .
H10A H 0.320934 0.312713 0.214174 0.045 Uiso 1 1 d R U . . .
H10B H 0.360864 0.340673 0.180664 0.045 Uiso 1 1 d R U . . .
H10C H 0.390394 0.413883 0.237824 0.045 Uiso 1 1 d R U . . .
C8 C 0.5487(3) 0.3085(4) 0.2777(2) 0.0436(11) Uani 1 1 d . . . . .
H8A H 0.559665 0.384811 0.290597 0.052 Uiso 1 1 d R U . . .
H8B H 0.534674 0.302391 0.237857 0.052 Uiso 1 1 d R U . . .
H8C H 0.605304 0.266011 0.310197 0.052 Uiso 1 1 d R U . . .
C14 C 0.4730(4) 0.3250(4) 0.4855(2) 0.0467(11) Uani 1 1 d . . . . .
H14A H 0.468588 0.398127 0.470270 0.056 Uiso 1 1 d R U . . .
H14B H 0.489959 0.329767 0.526380 0.056 Uiso 1 1 d R U . . .
H14C H 0.411808 0.288267 0.455230 0.056 Uiso 1 1 d R U . . .
C12 C 0.6480(3) 0.3123(4) 0.5459(2) 0.0517(12) Uani 1 1 d . . . . .
H12A H 0.697371 0.269260 0.552451 0.062 Uiso 1 1 d R U . . .
H12B H 0.659881 0.314740 0.585111 0.062 Uiso 1 1 d R U . . .
H12C H 0.648562 0.386240 0.533481 0.062 Uiso 1 1 d R U . . .
C109 C -0.1530(3) 0.3316(4) 0.22648(19) 0.0428(10) Uani 1 1 d . . . . .
109A H -0.198000 0.299767 0.228773 0.051 Uiso 1 1 d R U . . .
109B H -0.181063 0.332827 0.182543 0.051 Uiso 1 1 d R U . . .
109C H -0.137720 0.405807 0.242994 0.051 Uiso 1 1 d R U . . .
C9 C 0.4401(3) 0.1467(3) 0.24269(19) 0.0379(9) Uani 1 1 d . . . . .
H9A H 0.495265 0.100360 0.272737 0.045 Uiso 1 1 d R U . . .
H9B H 0.424725 0.146460 0.202277 0.045 Uiso 1 1 d R U . . .
H9C H 0.386055 0.119140 0.236657 0.045 Uiso 1 1 d R U . . .
C114 C 0.2041(3) 0.3318(4) 0.55448(19) 0.0420(10) Uani 1 1 d . . . . .
114A H 0.246720 0.287794 0.553999 0.050 Uiso 1 1 d R U . . .
114B H 0.229300 0.336705 0.597669 0.050 Uiso 1 1 d R U . . .
114C H 0.199120 0.404804 0.538809 0.050 Uiso 1 1 d R U . . .
C113 C 0.0393(3) 0.3466(4) 0.5158(2) 0.0461(11) Uani 1 1 d . . . . .
113A H 0.032356 0.420010 0.499844 0.055 Uiso 1 1 d R U . . .
113B H 0.067836 0.350651 0.559744 0.055 Uiso 1 1 d R U . . .
113C H -0.022934 0.312140 0.490335 0.055 Uiso 1 1 d R U . . .
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'
Al Al 0.0645 0.0514 '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'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.280
1 0 0 0.174
1 0 -1 0.074
0 0 1 0.121
0 -1 0 0.227
0 1 0 0.177
-1 -1 0 0.324
-1 1 0 0.293
1 -1 0 0.196
1 1 0 0.170
0 0 -1 0.289
-1 0 1 0.231
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
C115 Ge2 C116 115.39(17) . . ?
C115 Ge2 Cl2 106.33(13) . . ?
C116 Ge2 Cl2 103.22(15) . . ?
C115 Ge2 P2 105.98(11) . . ?
C116 Ge2 P2 116.98(13) . . ?
Cl2 Ge2 P2 108.26(4) . . ?
C16 Ge1 C15 115.49(17) . . ?
C16 Ge1 Cl1 105.62(14) . . ?
C15 Ge1 Cl1 104.16(15) . . ?
C16 Ge1 P1 107.85(12) . . ?
C15 Ge1 P1 115.76(14) . . ?
Cl1 Ge1 P1 107.09(4) . . ?
N1 P1 N2 94.76(14) . . ?
N1 P1 C1 113.96(14) . . ?
N2 P1 C1 113.07(15) . . ?
N1 P1 Ge1 114.83(10) . . ?
N2 P1 Ge1 111.28(10) . . ?
C1 P1 Ge1 108.51(11) . . ?
N1 P1 Al1 47.32(10) . . ?
N2 P1 Al1 47.47(10) . . ?
C1 P1 Al1 127.56(11) . . ?
Ge1 P1 Al1 123.87(4) . . ?
N3 P2 N4 94.69(14) . . ?
N3 P2 C101 113.30(15) . . ?
N4 P2 C101 113.02(14) . . ?
N3 P2 Ge2 114.75(10) . . ?
N4 P2 Ge2 110.90(10) . . ?
C101 P2 Ge2 109.56(11) . . ?
N3 P2 Al2 47.51(10) . . ?
N4 P2 Al2 47.19(10) . . ?
C101 P2 Al2 126.41(11) . . ?
Ge2 P2 Al2 123.96(4) . . ?
N4 Al2 N3 76.78(12) . . ?
N4 Al2 C117 116.10(15) . . ?
N3 Al2 C117 115.14(15) . . ?
N4 Al2 C118 113.99(16) . . ?
N3 Al2 C118 115.64(15) . . ?
C117 Al2 C118 114.15(17) . . ?
N4 Al2 P2 38.55(8) . . ?
N3 Al2 P2 38.24(8) . . ?
C117 Al2 P2 122.80(12) . . ?
C118 Al2 P2 123.05(13) . . ?
N1 Al1 N2 76.62(12) . . ?
N1 Al1 C17 115.15(14) . . ?
N2 Al1 C17 116.30(15) . . ?
N1 Al1 C18 115.21(15) . . ?
N2 Al1 C18 113.70(16) . . ?
C17 Al1 C18 114.57(17) . . ?
N1 Al1 P1 38.16(8) . . ?
N2 Al1 P1 38.48(8) . . ?
C17 Al1 P1 122.53(12) . . ?
C18 Al1 P1 122.90(13) . . ?
C111 N4 P2 132.1(2) . . ?
C111 N4 Al2 133.4(2) . . ?
P2 N4 Al2 94.26(13) . . ?
C7 N1 P1 133.1(2) . . ?
C7 N1 Al1 132.4(2) . . ?
P1 N1 Al1 94.52(13) . . ?
C6 C1 C2 119.2(3) . . ?
C6 C1 P1 123.8(3) . . ?
C2 C1 P1 117.0(2) . . ?
C11 N2 P1 132.1(2) . . ?
C11 N2 Al1 133.6(2) . . ?
P1 N2 Al1 94.04(13) . . ?
Ge2 C115 115A 109.5 . . ?
Ge2 C115 115B 109.3 . . ?
115A C115 115B 109.5 . . ?
Ge2 C115 115C 109.5 . . ?
115A C115 115C 109.5 . . ?
115B C115 115C 109.5 . . ?
C106 C101 C102 119.1(3) . . ?
C106 C101 P2 124.2(3) . . ?
C102 C101 P2 116.7(3) . . ?
C107 N3 P2 132.4(2) . . ?
C107 N3 Al2 133.3(2) . . ?
P2 N3 Al2 94.25(14) . . ?
N2 C11 C14 109.9(3) . . ?
N2 C11 C13 111.7(3) . . ?
C14 C11 C13 110.7(3) . . ?
N2 C11 C12 106.3(3) . . ?
C14 C11 C12 108.7(4) . . ?
C13 C11 C12 109.3(4) . . ?
C101 C106 C105 120.6(3) . . ?
C101 C106 H106 119.8 . . ?
C105 C106 H106 119.7 . . ?
C1 C6 C5 120.1(3) . . ?
C1 C6 H6 120.0 . . ?
C5 C6 H6 119.9 . . ?
Al1 C17 H17A 109.4 . . ?
Al1 C17 H17B 109.4 . . ?
H17A C17 H17B 109.5 . . ?
Al1 C17 H17C 109.6 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Ge1 C16 H16A 109.4 . . ?
Ge1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Ge1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N4 C111 C112 112.4(3) . . ?
N4 C111 C114 107.0(3) . . ?
C112 C111 C114 109.1(3) . . ?
N4 C111 C113 110.2(3) . . ?
C112 C111 C113 109.5(3) . . ?
C114 C111 C113 108.5(3) . . ?
Al2 C117 117A 109.5 . . ?
Al2 C117 117B 109.2 . . ?
117A C117 117B 109.5 . . ?
Al2 C117 117C 109.6 . . ?
117A C117 117C 109.5 . . ?
117B C117 117C 109.5 . . ?
C3 C2 C1 120.1(3) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 120.0 . . ?
Al2 C118 118A 109.5 . . ?
Al2 C118 118B 109.5 . . ?
118A C118 118B 109.5 . . ?
Al2 C118 118C 109.4 . . ?
118A C118 118C 109.5 . . ?
118B C118 118C 109.5 . . ?
C4 C3 C2 120.5(4) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.7 . . ?
C105 C104 C103 120.3(3) . . ?
C105 C104 H104 119.8 . . ?
C103 C104 H104 119.9 . . ?
C5 C4 C3 120.2(3) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 119.8(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.2 . . ?
C104 C105 C106 119.7(3) . . ?
C104 C105 H105 120.0 . . ?
C106 C105 H105 120.3 . . ?
N3 C107 C108 112.7(3) . . ?
N3 C107 C110 105.8(3) . . ?
C108 C107 C110 109.5(3) . . ?
N3 C107 C109 109.9(3) . . ?
C108 C107 C109 110.0(3) . . ?
C110 C107 C109 108.8(3) . . ?
C104 C103 C102 119.8(3) . . ?
C104 C103 H103 120.1 . . ?
C102 C103 H103 120.1 . . ?
Ge2 C116 116A 109.7 . . ?
Ge2 C116 116B 109.4 . . ?
116A C116 116B 109.5 . . ?
Ge2 C116 116C 109.3 . . ?
116A C116 116C 109.5 . . ?
116B C116 116C 109.5 . . ?
C103 C102 C101 120.6(3) . . ?
C103 C102 H102 119.7 . . ?
C101 C102 H102 119.7 . . ?
N1 C7 C9 112.5(3) . . ?
N1 C7 C10 109.9(3) . . ?
C9 C7 C10 110.2(3) . . ?
N1 C7 C8 106.3(3) . . ?
C9 C7 C8 109.1(3) . . ?
C10 C7 C8 108.6(3) . . ?
Al1 C18 H18A 109.3 . . ?
Al1 C18 H18B 109.3 . . ?
H18A C18 H18B 109.5 . . ?
Al1 C18 H18C 109.7 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C107 C108 108A 109.6 . . ?
C107 C108 108B 109.2 . . ?
108A C108 108B 109.5 . . ?
C107 C108 108C 109.7 . . ?
108A C108 108C 109.5 . . ?
108B C108 108C 109.5 . . ?
C111 C112 112A 109.6 . . ?
C111 C112 112B 109.5 . . ?
112A C112 112B 109.5 . . ?
C111 C112 112C 109.4 . . ?
112A C112 112C 109.5 . . ?
112B C112 112C 109.5 . . ?
C11 C13 H13A 109.3 . . ?
C11 C13 H13B 109.6 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Ge1 C15 H15A 109.6 . . ?
Ge1 C15 H15B 109.3 . . ?
H15A C15 H15B 109.5 . . ?
Ge1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C107 C110 110A 109.3 . . ?
C107 C110 110B 109.4 . . ?
110A C110 110B 109.5 . . ?
C107 C110 110C 109.7 . . ?
110A C110 110C 109.5 . . ?
110B C110 110C 109.5 . . ?
C7 C10 H10A 109.4 . . ?
C7 C10 H10B 109.6 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.4 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C8 H8A 109.3 . . ?
C7 C8 H8B 109.4 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.7 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C11 C14 H14A 109.6 . . ?
C11 C14 H14B 109.6 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.2 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.3 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C107 C109 109A 109.6 . . ?
C107 C109 109B 109.5 . . ?
109A C109 109B 109.5 . . ?
C107 C109 109C 109.3 . . ?
109A C109 109C 109.5 . . ?
109B C109 109C 109.5 . . ?
C7 C9 H9A 109.6 . . ?
C7 C9 H9B 109.4 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.4 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C111 C114 114A 109.5 . . ?
C111 C114 114B 109.4 . . ?
114A C114 114B 109.5 . . ?
C111 C114 114C 109.5 . . ?
114A C114 114C 109.5 . . ?
114B C114 114C 109.5 . . ?
C111 C113 113A 109.6 . . ?
C111 C113 113B 109.4 . . ?
113A C113 113B 109.5 . . ?
C111 C113 113C 109.4 . . ?
113A C113 113C 109.5 . . ?
113B C113 113C 109.5 . . ?
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
Ge2 C115 1.935(4) . ?
Ge2 C116 1.947(4) . ?
Ge2 Cl2 2.1817(11) . ?
Ge2 P2 2.3575(8) . ?
Ge1 C16 1.933(4) . ?
Ge1 C15 1.958(4) . ?
Ge1 Cl1 2.1821(12) . ?
Ge1 P1 2.3503(9) . ?
P1 N1 1.611(3) . ?
P1 N2 1.622(3) . ?
P1 C1 1.811(3) . ?
P1 Al1 2.5994(12) . ?
P2 N3 1.616(3) . ?
P2 N4 1.627(3) . ?
P2 C101 1.809(3) . ?
P2 Al2 2.6035(13) . ?
Al2 N4 1.915(3) . ?
Al2 N3 1.925(3) . ?
Al2 C117 1.959(4) . ?
Al2 C118 1.974(4) . ?
Al1 N1 1.917(3) . ?
Al1 N2 1.920(3) . ?
Al1 C17 1.962(4) . ?
Al1 C18 1.970(4) . ?
N4 C111 1.467(4) . ?
N1 C7 1.468(4) . ?
C1 C6 1.393(5) . ?
C1 C2 1.393(5) . ?
N2 C11 1.476(4) . ?
C115 115A 0.9599 . ?
C115 115B 0.9601 . ?
C115 115C 0.9600 . ?
C101 C106 1.387(5) . ?
C101 C102 1.391(5) . ?
N3 C107 1.469(4) . ?
C11 C14 1.513(5) . ?
C11 C13 1.517(5) . ?
C11 C12 1.533(6) . ?
C106 C105 1.391(5) . ?
C106 H106 0.9299 . ?
C6 C5 1.397(5) . ?
C6 H6 0.9300 . ?
C17 H17A 0.9598 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9598 . ?
C16 H16C 0.9600 . ?
C111 C112 1.525(5) . ?
C111 C114 1.527(5) . ?
C111 C113 1.531(5) . ?
C117 117A 0.9600 . ?
C117 117B 0.9600 . ?
C117 117C 0.9600 . ?
C2 C3 1.382(5) . ?
C2 H2 0.9300 . ?
C118 118A 0.9600 . ?
C118 118B 0.9598 . ?
C118 118C 0.9599 . ?
C3 C4 1.380(5) . ?
C3 H3 0.9302 . ?
C104 C105 1.380(5) . ?
C104 C103 1.385(5) . ?
C104 H104 0.9300 . ?
C4 C5 1.377(5) . ?
C4 H4 0.9301 . ?
C5 H5 0.9300 . ?
C105 H105 0.9301 . ?
C107 C108 1.521(5) . ?
C107 C110 1.530(6) . ?
C107 C109 1.535(5) . ?
C103 C102 1.385(5) . ?
C103 H103 0.9300 . ?
C116 116A 0.9598 . ?
C116 116B 0.9601 . ?
C116 116C 0.9600 . ?
C102 H102 0.9299 . ?
C7 C9 1.525(5) . ?
C7 C10 1.531(5) . ?
C7 C8 1.534(5) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9601 . ?
C18 H18C 0.9597 . ?
C108 108A 0.9600 . ?
C108 108B 0.9599 . ?
C108 108C 0.9600 . ?
C112 112A 0.9600 . ?
C112 112B 0.9601 . ?
C112 112C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9598 . ?
C13 H13C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9599 . ?
C110 110A 0.9601 . ?
C110 110B 0.9598 . ?
C110 110C 0.9600 . ?
C10 H10A 0.9599 . ?
C10 H10B 0.9597 . ?
C10 H10C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9601 . ?
C8 H8C 0.9599 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9602 . ?
C14 H14C 0.9601 . ?
C12 H12A 0.9599 . ?
C12 H12B 0.9599 . ?
C12 H12C 0.9600 . ?
C109 109A 0.9599 . ?
C109 109B 0.9600 . ?
C109 109C 0.9601 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C114 114A 0.9600 . ?
C114 114B 0.9602 . ?
C114 114C 0.9599 . ?
C113 113A 0.9600 . ?
C113 113B 0.9601 . ?
C113 113C 0.9599 . ?
