#------------------------------------------------------------------------------
#$Date: 2020-08-06 16:00:18 +0200 (jue 06 de ago de 2020) $
#$Revision: 254978 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/47/7704709.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_7704709
loop_
_publ_author_name
'Zhou, Xueer'
'Vasko, Petra'
'Hicks, Jamie'
'Fuentes, M Ángeles'
'Heilmann, Andreas'
'Kolychev, Eugene L.'
'Aldridge, Simon'
_publ_section_title
;
 Cooperative N-H bond activation by amido-Ge(ii) cations.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9495
_journal_page_last               9504
_journal_paper_doi               10.1039/d0dt01960g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C13 H24 Ge N3, C16 Al F36 O4'
_chemical_formula_sum            'C29 H24 Al F36 Ge N3 O4'
_chemical_formula_weight         1262.08
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-09-07 deposited with the CCDC.	2020-06-25 downloaded from the CCDC.
;
_cell_angle_alpha                95.690(5)
_cell_angle_beta                 107.389(5)
_cell_angle_gamma                100.633(5)
_cell_formula_units_Z            2
_cell_length_a                   10.2433(6)
_cell_length_b                   14.4020(8)
_cell_length_c                   16.1962(9)
_cell_measurement_reflns_used    8508
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.0640
_cell_measurement_theta_min      4.5770
_cell_volume                     2210.4(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.5035
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0247
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21959
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.289
_diffrn_reflns_theta_min         3.926
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.958
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84447
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.896
_exptl_crystal_description       block
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.220
_refine_diff_density_max         1.665
_refine_diff_density_min         -1.166
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     783
_refine_ls_number_reflns         9104
_refine_ls_number_restraints     134
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0778
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1440P)²+6.8423P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2158
_refine_ls_wR_factor_ref         0.2304
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7732
_reflns_number_total             9104
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01960g2.cif
_cod_data_source_block           032xzjh17_a
_cod_depositor_comments
'Adding full bibliography for 7704706--7704714.cif.'
_cod_database_code               7704709
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.525
_shelx_estimated_absorpt_t_max   0.562
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 -0.00839(5) 0.13302(3) 0.13260(3) 0.03461(17) Uani 1 1 d . . . . .
Al1 Al 0.80250(11) 0.69562(7) 0.28549(7) 0.0219(2) Uani 1 1 d . . . . .
F101 F 0.5829(4) 0.6162(3) 0.4263(2) 0.0673(10) Uani 1 1 d . . . . .
F102 F 0.7303(4) 0.5270(2) 0.4362(2) 0.0598(9) Uani 1 1 d . . . . .
F103 F 0.5121(4) 0.4635(3) 0.4062(2) 0.0756(12) Uani 1 1 d . . . . .
F104 F 0.3612(3) 0.5666(3) 0.2784(3) 0.0691(10) Uani 1 1 d . . . . .
F105 F 0.3592(3) 0.4222(2) 0.2281(2) 0.0589(8) Uani 1 1 d . . . . .
F106 F 0.4078(3) 0.5378(2) 0.16058(19) 0.0528(7) Uani 1 1 d . . . . .
F107 F 0.6097(4) 0.3689(2) 0.2914(3) 0.0719(11) Uani 1 1 d . . . . .
F108 F 0.6007(4) 0.4290(3) 0.1744(2) 0.0648(9) Uani 1 1 d . . . . .
F109 F 0.7842(3) 0.4746(2) 0.2878(3) 0.0623(9) Uani 1 1 d . . . . .
F110 F 0.5960(6) 0.6517(8) 0.0842(4) 0.0637(19) Uani 0.6 1 d D . P A 1
F111 F 0.6602(11) 0.5266(5) 0.0474(5) 0.095(3) Uani 0.6 1 d D . P A 1
F112 F 0.6640(10) 0.6418(7) -0.0288(4) 0.064(2) Uani 0.6 1 d D U P A 1
F113 F 1.0757(8) 0.6609(7) 0.1277(5) 0.0833(14) Uani 0.6 1 d D . P B 1
F114 F 0.9382(10) 0.5309(7) 0.1207(5) 0.0833(14) Uani 0.6 1 d D . P B 1
F115 F 0.9182(9) 0.5922(7) 0.0016(5) 0.0833(14) Uani 0.6 1 d D . P B 1
F119 F 1.2203(4) 0.7191(5) 0.5726(3) 0.0540(14) Uani 0.6 1 d D . P C 1
F120 F 1.0043(6) 0.6559(5) 0.5428(3) 0.0663(18) Uani 0.6 1 d D . P C 1
F121 F 1.0697(8) 0.8043(4) 0.5472(4) 0.080(2) Uani 0.6 1 d D . P C 1
F122 F 1.2834(4) 0.8293(5) 0.4581(5) 0.0520(19) Uani 0.6 1 d D . P D 1
F123 F 1.1703(7) 0.7803(5) 0.3255(3) 0.079(2) Uani 0.6 1 d D . P D 1
F124 F 1.0907(6) 0.8668(4) 0.3981(5) 0.0700(17) Uani 0.6 1 d D U P D 1
F125 F 1.2724(4) 0.6342(5) 0.4303(5) 0.0585(17) Uani 0.6 1 d D . P E 1
F126 F 1.0790(5) 0.5455(3) 0.4265(5) 0.0634(18) Uani 0.6 1 d D . P E 1
F127 F 1.0968(6) 0.5933(5) 0.3145(3) 0.0690(19) Uani 0.6 1 d D . P E 1
F128 F 0.7779(10) 0.8402(8) 0.4518(4) 0.084(4) Uani 0.7 1 d . . P F 1
F129 F 0.6830(12) 0.9649(7) 0.4345(6) 0.074(3) Uani 0.7 1 d . . P F 1
F130 F 0.8844(5) 0.9707(4) 0.4266(4) 0.0710(16) Uani 0.7 1 d . U P F 1
F131 F 0.5087(5) 0.7766(3) 0.3403(4) 0.0550(11) Uani 0.7 1 d . . P F 1
F132 F 0.4905(6) 0.7699(3) 0.2087(4) 0.0473(16) Uani 0.7 1 d . . P F 1
F133 F 0.4611(5) 0.8948(3) 0.2782(3) 0.0461(10) Uani 0.7 1 d . U P F 1
F134 F 0.6391(7) 0.9312(4) 0.1715(3) 0.0607(13) Uani 0.7 1 d . . P F 1
F135 F 0.6844(6) 1.0349(3) 0.2827(4) 0.0569(13) Uani 0.7 1 d . U P F 1
F136 F 0.8577(9) 0.9822(6) 0.2596(7) 0.080(3) Uani 0.7 1 d . . P F 1
O101 O 0.6502(3) 0.6174(2) 0.2809(2) 0.0334(6) Uani 1 1 d . . . . .
O102 O 0.8552(3) 0.6672(2) 0.1965(2) 0.0386(7) Uani 1 1 d . . . . .
O103 O 0.9347(3) 0.6878(2) 0.37886(18) 0.0297(6) Uani 1 1 d . . . . .
O104 O 0.7690(3) 0.8093(2) 0.2864(2) 0.0359(6) Uani 1 1 d D . . . .
N1 N -0.1483(4) 0.1960(3) 0.1292(2) 0.0338(7) Uani 1 1 d . . . . .
N2 N 0.1014(4) 0.2962(2) 0.2844(2) 0.0326(7) Uani 1 1 d . . . . .
N3 N 0.2396(3) 0.1987(2) 0.3074(2) 0.0279(6) Uani 1 1 d . . . . .
C1 C -0.2780(4) 0.1758(4) 0.0502(3) 0.0390(9) Uani 1 1 d . . . . .
C2 C -0.2842(6) 0.2672(5) 0.0087(4) 0.0578(14) Uani 1 1 d . . . . .
H2A H -0.2930 0.3180 0.0502 0.087 Uiso 1 1 calc R U . . .
H2B H -0.3655 0.2540 -0.0450 0.087 Uiso 1 1 calc R U . . .
H2C H -0.1981 0.2878 -0.0057 0.087 Uiso 1 1 calc R U . . .
C3 C -0.4088(5) 0.1468(5) 0.0765(4) 0.0565(13) Uani 1 1 d . . . . .
H3A H -0.4071 0.0871 0.1007 0.085 Uiso 1 1 calc R U . . .
H3B H -0.4927 0.1372 0.0249 0.085 Uiso 1 1 calc R U . . .
H3C H -0.4108 0.1975 0.1210 0.085 Uiso 1 1 calc R U . . .
C4 C -0.2724(6) 0.0952(5) -0.0163(4) 0.0595(15) Uani 1 1 d . . . . .
H4A H -0.1864 0.1126 -0.0315 0.089 Uiso 1 1 calc R U . . .
H4B H -0.3543 0.0850 -0.0693 0.089 Uiso 1 1 calc R U . . .
H4C H -0.2729 0.0362 0.0091 0.089 Uiso 1 1 calc R U . . .
C5 C -0.1496(5) 0.2653(4) 0.2014(3) 0.0452(11) Uani 1 1 d . . . . .
H5A H -0.1686 0.2305 0.2478 0.054 Uiso 1 1 calc R U . . .
H5B H -0.2270 0.2981 0.1796 0.054 Uiso 1 1 calc R U . . .
C6 C -0.0142(6) 0.3389(3) 0.2404(4) 0.0475(12) Uani 1 1 d . . . . .
H6A H 0.0087 0.3708 0.1935 0.057 Uiso 1 1 calc R U . . .
H6B H -0.0255 0.3883 0.2832 0.057 Uiso 1 1 calc R U . . .
C7 C 0.1194(4) 0.2113(3) 0.2512(3) 0.0282(7) Uani 1 1 d . . . . .
C8 C 0.2076(5) 0.3356(3) 0.3605(3) 0.0379(9) Uani 1 1 d . . . . .
H8 H 0.2183 0.3948 0.3962 0.046 Uiso 1 1 calc R U . . .
C9 C 0.2940(4) 0.2751(3) 0.3755(3) 0.0360(9) Uani 1 1 d . . . . .
H9 H 0.3772 0.2834 0.4240 0.043 Uiso 1 1 calc R U . . .
C10 C 0.3075(4) 0.1161(3) 0.2967(3) 0.0333(8) Uani 1 1 d . . . . .
C11 C 0.2023(5) 0.0233(3) 0.2874(4) 0.0508(12) Uani 1 1 d . . . . .
H11A H 0.1645 0.0262 0.3362 0.076 Uiso 1 1 calc R U . . .
H11B H 0.2489 -0.0304 0.2880 0.076 Uiso 1 1 calc R U . . .
H11C H 0.1255 0.0140 0.2318 0.076 Uiso 1 1 calc R U . . .
C12 C 0.3546(6) 0.1218(4) 0.2166(4) 0.0478(11) Uani 1 1 d . . . . .
H12A H 0.4065 0.0720 0.2112 0.072 Uiso 1 1 calc R U . . .
H12B H 0.4155 0.1849 0.2229 0.072 Uiso 1 1 calc R U . . .
H12C H 0.2722 0.1120 0.1641 0.072 Uiso 1 1 calc R U . . .
C13 C 0.4357(6) 0.1253(4) 0.3778(4) 0.0578(14) Uani 1 1 d . . . . .
H13A H 0.4057 0.1211 0.4296 0.087 Uiso 1 1 calc R U . . .
H13B H 0.5007 0.1872 0.3857 0.087 Uiso 1 1 calc R U . . .
H13C H 0.4831 0.0735 0.3699 0.087 Uiso 1 1 calc R U . . .
C101 C 0.5845(4) 0.5322(3) 0.2925(3) 0.0297(8) Uani 1 1 d . . . . .
C102 C 0.6020(6) 0.5347(4) 0.3918(3) 0.0475(12) Uani 1 1 d . . . . .
C103 C 0.4258(5) 0.5151(4) 0.2386(3) 0.0418(10) Uani 1 1 d . . . . .
C104 C 0.6441(5) 0.4493(3) 0.2612(4) 0.0459(11) Uani 1 1 d . . . . .
C105 C 0.8427(5) 0.6680(3) 0.1114(3) 0.0383(9) Uani 1 1 d D . . . .
C106 C 0.6881(9) 0.6213(6) 0.0523(5) 0.058(3) Uani 0.6 1 d D . P A 1
C107 C 0.9434(10) 0.6113(8) 0.0880(6) 0.081(4) Uani 0.6 1 d D . P B 1
C109 C 1.0733(4) 0.7078(3) 0.4243(3) 0.0287(8) Uani 1 1 d . . . . .
C110 C 1.0907(4) 0.7188(3) 0.5229(3) 0.0483(11) Uani 1 1 d D . . . .
C111 C 1.1503(4) 0.8028(4) 0.4055(3) 0.0574(15) Uani 1 1 d D . . . .
C112 C 1.1375(5) 0.6257(4) 0.4006(3) 0.0555(13) Uani 1 1 d D . . . .
C113 C 0.7007(5) 0.8721(3) 0.3092(3) 0.0209(10) Uani 0.7 1 d . . P F 1
C114 C 0.7601(9) 0.9119(6) 0.4070(4) 0.0506(19) Uani 0.7 1 d . . P F 1
C115 C 0.5381(6) 0.8287(4) 0.2838(4) 0.0347(12) Uani 0.7 1 d . . P F 1
C116 C 0.7189(7) 0.9564(4) 0.2551(5) 0.0420(15) Uani 0.7 1 d . . P F 1
F118 F 0.9862(8) 0.8228(5) 0.1607(4) 0.0818(13) Uani 0.6 1 d D . P A 1
C108 C 0.8717(8) 0.7709(6) 0.0938(5) 0.061(3) Uani 0.6 1 d D . P A 1
F117 F 0.9142(9) 0.7815(6) 0.0232(4) 0.0818(13) Uani 0.6 1 d D . P A 1
F116 F 0.7733(7) 0.8169(5) 0.0888(4) 0.0818(13) Uani 0.6 1 d D . P A 1
C214 C 0.6822(16) 0.8699(12) 0.3925(8) 0.084(4) Uiso 0.3 1 d D . P F 2
C215 C 0.5659(11) 0.8648(8) 0.2323(7) 0.084(4) Uiso 0.3 1 d D . P F 2
F233 F 0.4904(11) 0.9128(9) 0.2580(8) 0.058(4) Uiso 0.3 1 d D . P F 2
F232 F 0.5184(16) 0.7759(7) 0.2217(13) 0.101(11) Uiso 0.3 1 d D . P F 2
F231 F 0.5999(17) 0.8928(14) 0.1683(8) 0.104(8) Uiso 0.3 1 d D . P F 2
F228 F 0.783(2) 0.850(2) 0.4569(17) 0.109(14) Uiso 0.3 1 d D . P F 2
F229 F 0.652(3) 0.9448(11) 0.4324(18) 0.064(6) Uiso 0.3 1 d D . P F 2
C216 C 0.7938(10) 0.9805(8) 0.3124(7) 0.084(4) Uiso 0.3 1 d D . P F 2
F236 F 0.8906(13) 0.9876(11) 0.3843(9) 0.118(8) Uiso 0.3 1 d D . P F 2
F235 F 0.7143(12) 1.0374(7) 0.3159(8) 0.054(3) Uiso 0.3 1 d D . P F 2
F234 F 0.8310(17) 0.9761(12) 0.2460(9) 0.053(5) Uiso 0.3 1 d D . P F 2
F223 F 1.1005(8) 0.8183(6) 0.3273(4) 0.0536(19) Uiso 0.4 1 d D . P D 2
F224 F 1.1104(9) 0.8744(6) 0.4521(5) 0.062(2) Uiso 0.4 1 d D . P D 2
F222 F 1.2850(7) 0.8290(11) 0.4365(7) 0.063(4) Uiso 0.4 1 d D . P D 2
F221 F 1.0007(8) 0.7611(6) 0.5465(7) 0.066(3) Uiso 0.4 1 d D . P C 2
F220 F 1.0605(10) 0.6307(5) 0.5430(7) 0.070(3) Uiso 0.4 1 d D . P C 2
F219 F 1.2142(7) 0.7598(6) 0.5792(7) 0.060(3) Uiso 0.4 1 d D . P C 2
F227 F 1.1653(12) 0.6449(8) 0.3274(5) 0.081(3) Uiso 0.4 1 d D . P E 2
F226 F 1.0839(17) 0.5366(7) 0.3886(10) 0.142(9) Uiso 0.4 1 d D . P E 2
F225 F 1.2680(8) 0.6405(9) 0.4584(6) 0.058(3) Uiso 0.4 1 d D . P E 2
C206 C 0.6928(6) 0.6534(7) 0.0525(7) 0.044(4) Uiso 0.4 1 d D . P A 2
C208 C 0.9326(7) 0.7603(5) 0.0978(6) 0.047(3) Uiso 0.4 1 d D . P A 2
C207 C 0.9084(8) 0.5866(5) 0.0836(6) 0.038(3) Uiso 0.4 1 d D . P A 2
F211 F 0.637(2) 0.5601(7) 0.0426(11) 0.104(6) Uiso 0.4 1 d D . P A 2
F210 F 0.6139(17) 0.6950(9) 0.0868(9) 0.091(6) Uiso 0.4 1 d D . P A 2
F212 F 0.6663(16) 0.6721(9) -0.0278(7) 0.064(4) Uiso 0.4 1 d D . P A 2
F216 F 0.8528(12) 0.8267(9) 0.0996(8) 0.096(4) Uiso 0.4 1 d D . P A 2
F218 F 1.0513(9) 0.7981(8) 0.1520(6) 0.082(3) Uiso 0.4 1 d D . P A 2
F217 F 0.9359(11) 0.7535(7) 0.0175(5) 0.063(3) Uiso 0.4 1 d D . P A 2
F215 F 0.8763(10) 0.5598(7) -0.0010(5) 0.064(3) Uiso 0.4 1 d D . P A 2
F213 F 1.0500(8) 0.6141(7) 0.1116(6) 0.066(3) Uiso 0.4 1 d D . P A 2
F214 F 0.8828(10) 0.5091(6) 0.1166(6) 0.059(2) Uiso 0.4 1 d D . P A 2
F230 F 0.5719(19) 0.7994(12) 0.3839(15) 0.118(8) Uiso 0.3 1 d D . P F 2
C213 C 0.7023(9) 0.8838(6) 0.3028(7) 0.084(4) Uiso 0.3 1 d D . P F 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 Ge1 C7 93.13(15) . . ?
O102 Al1 O101 111.78(16) . . ?
O102 Al1 O103 107.65(15) . . ?
O101 Al1 O103 108.48(14) . . ?
O102 Al1 O104 109.21(16) . . ?
O101 Al1 O104 107.47(15) . . ?
O103 Al1 O104 112.29(15) . . ?
C101 O101 Al1 150.0(3) . . ?
C105 O102 Al1 150.3(3) . . ?
C109 O103 Al1 148.1(3) . . ?
C113 O104 Al1 149.1(3) . . ?
C213 O104 Al1 156.6(5) . . ?
C5 N1 C1 114.3(3) . . ?
C5 N1 Ge1 124.9(3) . . ?
C1 N1 Ge1 120.8(3) . . ?
C7 N2 C8 110.4(4) . . ?
C7 N2 C6 123.1(4) . . ?
C8 N2 C6 126.4(4) . . ?
C7 N3 C9 109.5(3) . . ?
C7 N3 C10 125.8(3) . . ?
C9 N3 C10 124.7(3) . . ?
N1 C1 C3 110.4(4) . . ?
N1 C1 C4 109.8(4) . . ?
C3 C1 C4 109.3(5) . . ?
N1 C1 C2 108.6(4) . . ?
C3 C1 C2 109.3(4) . . ?
C4 C1 C2 109.4(5) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C5 C6 113.0(4) . . ?
N1 C5 H5A 109.0 . . ?
C6 C5 H5A 109.0 . . ?
N1 C5 H5B 109.0 . . ?
C6 C5 H5B 109.0 . . ?
H5A C5 H5B 107.8 . . ?
N2 C6 C5 111.7(4) . . ?
N2 C6 H6A 109.3 . . ?
C5 C6 H6A 109.3 . . ?
N2 C6 H6B 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 107.9 . . ?
N3 C7 N2 105.7(3) . . ?
N3 C7 Ge1 130.9(3) . . ?
N2 C7 Ge1 123.1(3) . . ?
C9 C8 N2 107.1(4) . . ?
C9 C8 H8 126.5 . . ?
N2 C8 H8 126.5 . . ?
C8 C9 N3 107.4(4) . . ?
C8 C9 H9 126.3 . . ?
N3 C9 H9 126.3 . . ?
N3 C10 C12 107.9(3) . . ?
N3 C10 C11 108.9(3) . . ?
C12 C10 C11 112.0(4) . . ?
N3 C10 C13 109.1(4) . . ?
C12 C10 C13 109.2(4) . . ?
C11 C10 C13 109.7(4) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O101 C101 C104 111.8(4) . . ?
O101 C101 C102 109.3(3) . . ?
C104 C101 C102 109.0(4) . . ?
O101 C101 C103 108.0(3) . . ?
C104 C101 C103 109.1(3) . . ?
C102 C101 C103 109.6(4) . . ?
F102 C102 F101 107.6(4) . . ?
F102 C102 F103 107.0(4) . . ?
F101 C102 F103 107.7(5) . . ?
F102 C102 C101 110.6(4) . . ?
F101 C102 C101 111.0(4) . . ?
F103 C102 C101 112.7(4) . . ?
F106 C103 F104 107.8(5) . . ?
F106 C103 F105 107.4(4) . . ?
F104 C103 F105 107.1(4) . . ?
F106 C103 C101 111.5(4) . . ?
F104 C103 C101 111.2(4) . . ?
F105 C103 C101 111.5(4) . . ?
F108 C104 F107 107.7(4) . . ?
F108 C104 F109 107.1(5) . . ?
F107 C104 F109 106.9(4) . . ?
F108 C104 C101 111.0(4) . . ?
F107 C104 C101 113.7(5) . . ?
F109 C104 C101 110.0(4) . . ?
O102 C105 C206 113.6(5) . . ?
O102 C105 C108 110.5(4) . . ?
O102 C105 C107 108.5(5) . . ?
C108 C105 C107 112.0(5) . . ?
O102 C105 C208 112.1(5) . . ?
C206 C105 C208 109.8(5) . . ?
O102 C105 C207 106.5(5) . . ?
C206 C105 C207 109.9(5) . . ?
C208 C105 C207 104.5(4) . . ?
O102 C105 C106 110.0(4) . . ?
C108 C105 C106 105.8(5) . . ?
C107 C105 C106 109.9(5) . . ?
F110 C106 F111 106.2(10) . . ?
F110 C106 F112 107.7(7) . . ?
F111 C106 F112 108.6(8) . . ?
F110 C106 C105 111.8(6) . . ?
F111 C106 C105 111.3(7) . . ?
F112 C106 C105 111.1(7) . . ?
F114 C107 F115 109.7(9) . . ?
F114 C107 F113 104.1(9) . . ?
F115 C107 F113 110.0(8) . . ?
F114 C107 C105 111.2(7) . . ?
F115 C107 C105 112.4(8) . . ?
F113 C107 C105 109.1(8) . . ?
O103 C109 C112 109.9(3) . . ?
O103 C109 C110 108.2(3) . . ?
C112 C109 C110 108.9(3) . . ?
O103 C109 C111 111.1(3) . . ?
C112 C109 C111 110.0(4) . . ?
C110 C109 C111 108.7(3) . . ?
F219 C110 F221 105.8(6) . . ?
F120 C110 F121 107.5(5) . . ?
F120 C110 F119 108.5(5) . . ?
F121 C110 F119 105.3(5) . . ?
F219 C110 F220 105.1(6) . . ?
F221 C110 F220 102.7(5) . . ?
F120 C110 C109 114.3(4) . . ?
F219 C110 C109 118.4(6) . . ?
F221 C110 C109 115.2(6) . . ?
F121 C110 C109 107.9(4) . . ?
F119 C110 C109 112.8(4) . . ?
F220 C110 C109 108.0(6) . . ?
F223 C111 F222 113.1(7) . . ?
F124 C111 F122 113.7(5) . . ?
F124 C111 F123 106.0(5) . . ?
F122 C111 F123 100.3(5) . . ?
F223 C111 F224 100.6(5) . . ?
F222 C111 F224 101.4(6) . . ?
F124 C111 C109 117.4(4) . . ?
F223 C111 C109 114.3(5) . . ?
F222 C111 C109 120.0(8) . . ?
F122 C111 C109 111.4(4) . . ?
F123 C111 C109 106.1(4) . . ?
F224 C111 C109 103.9(5) . . ?
F125 C112 F127 106.8(5) . . ?
F226 C112 F227 107.4(7) . . ?
F226 C112 F225 106.8(7) . . ?
F227 C112 F225 101.4(6) . . ?
F125 C112 F126 106.3(5) . . ?
F127 C112 F126 98.7(5) . . ?
F226 C112 C109 127.2(10) . . ?
F125 C112 C109 120.0(5) . . ?
F127 C112 C109 113.8(4) . . ?
F227 C112 C109 103.6(6) . . ?
F225 C112 C109 107.6(6) . . ?
F126 C112 C109 108.9(4) . . ?
O104 C113 C114 111.7(4) . . ?
O104 C113 C116 106.6(4) . . ?
C114 C113 C116 109.5(5) . . ?
O104 C113 C115 112.5(4) . . ?
C114 C113 C115 109.2(5) . . ?
C116 C113 C115 107.1(4) . . ?
F128 C114 F130 107.2(7) . . ?
F128 C114 F129 111.5(9) . . ?
F130 C114 F129 104.2(7) . . ?
F128 C114 C113 109.3(6) . . ?
F130 C114 C113 110.9(7) . . ?
F129 C114 C113 113.4(7) . . ?
F131 C115 F132 104.7(6) . . ?
F131 C115 F133 106.7(5) . . ?
F132 C115 F133 108.0(5) . . ?
F131 C115 C113 112.0(5) . . ?
F132 C115 C113 111.2(5) . . ?
F133 C115 C113 113.7(5) . . ?
F135 C116 F134 104.7(6) . . ?
F135 C116 F136 106.9(6) . . ?
F134 C116 F136 109.1(8) . . ?
F135 C116 C113 115.0(6) . . ?
F134 C116 C113 111.8(5) . . ?
F136 C116 C113 109.1(5) . . ?
F116 C108 F117 107.6(6) . . ?
F116 C108 F118 106.1(6) . . ?
F117 C108 F118 101.8(6) . . ?
F116 C108 C105 117.0(6) . . ?
F117 C108 C105 114.7(6) . . ?
F118 C108 C105 108.2(6) . . ?
F228 C214 F230 102.9(8) . . ?
F228 C214 F229 102.3(8) . . ?
F230 C214 F229 102.3(8) . . ?
F228 C214 C213 121.0(18) . . ?
F230 C214 C213 112.1(13) . . ?
F229 C214 C213 114.2(16) . . ?
F232 C215 F233 112.9(7) . . ?
F232 C215 F231 114.0(8) . . ?
F233 C215 F231 113.6(8) . . ?
F232 C215 C213 105.1(7) . . ?
F233 C215 C213 107.4(6) . . ?
F231 C215 C213 102.8(6) . . ?
F234 C216 F235 115.2(8) . . ?
F234 C216 F236 115.3(8) . . ?
F235 C216 F236 112.9(8) . . ?
F234 C216 C213 103.9(7) . . ?
F235 C216 C213 104.0(6) . . ?
F236 C216 C213 103.6(7) . . ?
F210 C206 F212 106.2(7) . . ?
F210 C206 F211 104.2(7) . . ?
F212 C206 F211 104.7(7) . . ?
F210 C206 C105 114.4(10) . . ?
F212 C206 C105 120.0(9) . . ?
F211 C206 C105 105.8(10) . . ?
F218 C208 F217 111.2(7) . . ?
F218 C208 F216 105.6(6) . . ?
F217 C208 F216 102.0(6) . . ?
F218 C208 C105 120.9(8) . . ?
F217 C208 C105 111.1(7) . . ?
F216 C208 C105 103.8(7) . . ?
F214 C207 F215 106.6(6) . . ?
F214 C207 F213 104.1(6) . . ?
F215 C207 F213 103.6(6) . . ?
F214 C207 C105 114.7(7) . . ?
F215 C207 C105 115.7(7) . . ?
F213 C207 C105 110.9(7) . . ?
O104 C213 C215 106.9(7) . . ?
O104 C213 C216 111.9(7) . . ?
C215 C213 C216 114.5(6) . . ?
O104 C213 C214 102.9(9) . . ?
C215 C213 C214 111.2(6) . . ?
C216 C213 C214 109.0(6) . . ?
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 N1 1.822(4) . ?
Ge1 C7 2.049(4) . ?
Al1 O102 1.723(3) . ?
Al1 O101 1.725(3) . ?
Al1 O103 1.732(3) . ?
Al1 O104 1.733(3) . ?
F101 C102 1.322(7) . ?
F102 C102 1.327(6) . ?
F103 C102 1.334(6) . ?
F104 C103 1.320(6) . ?
F105 C103 1.354(6) . ?
F106 C103 1.305(6) . ?
F107 C104 1.330(6) . ?
F108 C104 1.325(6) . ?
F109 C104 1.336(6) . ?
F110 C106 1.321(7) . ?
F111 C106 1.331(7) . ?
F112 C106 1.335(7) . ?
F113 C107 1.338(7) . ?
F114 C107 1.318(8) . ?
F115 C107 1.335(7) . ?
F119 C110 1.330(5) . ?
F120 C110 1.280(5) . ?
F121 C110 1.332(5) . ?
F122 C111 1.334(5) . ?
F123 C111 1.386(5) . ?
F124 C111 1.192(7) . ?
F125 C112 1.298(5) . ?
F126 C112 1.364(6) . ?
F127 C112 1.336(6) . ?
F128 C114 1.328(12) . ?
F129 C114 1.331(10) . ?
F130 C114 1.321(11) . ?
F131 C115 1.307(8) . ?
F132 C115 1.313(8) . ?
F133 C115 1.336(7) . ?
F134 C116 1.328(9) . ?
F135 C116 1.322(8) . ?
F136 C116 1.379(10) . ?
O101 C101 1.345(5) . ?
O102 C105 1.346(5) . ?
O103 C109 1.350(4) . ?
O104 C113 1.329(6) . ?
O104 C213 1.418(7) . ?
N1 C5 1.465(6) . ?
N1 C1 1.501(5) . ?
N2 C7 1.353(5) . ?
N2 C8 1.363(6) . ?
N2 C6 1.462(6) . ?
N3 C7 1.350(5) . ?
N3 C9 1.380(5) . ?
N3 C10 1.504(5) . ?
C1 C3 1.524(7) . ?
C1 C4 1.524(7) . ?
C1 C2 1.540(7) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
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 C6 1.500(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C8 C9 1.342(6) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C12 1.517(7) . ?
C10 C11 1.518(6) . ?
C10 C13 1.529(7) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C101 C104 1.546(6) . ?
C101 C102 1.561(6) . ?
C101 C103 1.558(6) . ?
C105 C206 1.509(6) . ?
C105 C108 1.528(9) . ?
C105 C107 1.536(12) . ?
C105 C208 1.546(6) . ?
C105 C207 1.549(6) . ?
C105 C106 1.565(10) . ?
C109 C112 1.525(6) . ?
C109 C110 1.542(6) . ?
C109 C111 1.554(6) . ?
C110 F219 1.307(6) . ?
C110 F221 1.319(6) . ?
C110 F220 1.345(6) . ?
C111 F223 1.274(6) . ?
C111 F222 1.287(7) . ?
C111 F224 1.409(6) . ?
C112 F226 1.270(7) . ?
C112 F227 1.342(7) . ?
C112 F225 1.348(7) . ?
C113 C114 1.525(8) . ?
C113 C116 1.581(8) . ?
C113 C115 1.578(8) . ?
F118 C108 1.366(7) . ?
C108 F116 1.292(7) . ?
C108 F117 1.352(7) . ?
C214 F228 1.329(8) . ?
C214 F230 1.335(8) . ?
C214 F229 1.338(8) . ?
C214 C213 1.553(7) . ?
C215 F232 1.258(7) . ?
C215 F233 1.258(7) . ?
C215 F231 1.266(7) . ?
C215 C213 1.475(7) . ?
C216 F234 1.244(7) . ?
C216 F235 1.266(7) . ?
C216 F236 1.264(7) . ?
C216 C213 1.494(7) . ?
C206 F210 1.305(7) . ?
C206 F212 1.312(7) . ?
C206 F211 1.333(7) . ?
C208 F218 1.252(7) . ?
C208 F217 1.306(7) . ?
C208 F216 1.372(7) . ?
C207 F214 1.301(7) . ?
C207 F215 1.310(7) . ?
C207 F213 1.350(7) . ?
