#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:54:07 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178706 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/17/4081787.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_4081787
loop_
_publ_author_name
'Uhl, Werner'
'Tannert, Jens'
'Layh, Marcus'
'Hepp, Alexander'
'Grimme, Stefan'
'Risthaus, Tobias'
_publ_section_title
;
 Cooperative Ge--N Bond Activation in Hydrogallation Products of
 Alkynyl(diethylamino)germanes (Et2N)nGe(C≡CtBu)4--n
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              6770
_journal_paper_doi               10.1021/om400543v
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C33 H58 Al F Ge N'
_chemical_formula_weight         587.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.675(5)
_cell_angle_beta                 97.831(5)
_cell_angle_gamma                98.747(5)
_cell_formula_units_Z            2
_cell_length_a                   9.7221(18)
_cell_length_b                   10.986(2)
_cell_length_c                   17.117(3)
_cell_measurement_reflns_used    9833
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      30.15
_cell_measurement_theta_min      2.62
_cell_volume                     1789.1(6)
_computing_cell_refinement       'SAINT V8.18C (Bruker AXS Inc.)'
_computing_data_collection       'APEX2 v2012.2-0'
_computing_data_reduction        'SAINT V8.18C (Bruker AXS Inc.)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Photon 100 CMOS-detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'Venture Mo multilayer optic'
_diffrn_radiation_source         microsource
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0191
_diffrn_reflns_av_sigmaI/netI    0.0199
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28551
_diffrn_reflns_theta_full        30.16
_diffrn_reflns_theta_max         30.16
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    0.905
_exptl_absorpt_correction_T_max  0.7605
_exptl_absorpt_correction_T_min  0.6705
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.090
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             634
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.478
_refine_diff_density_min         -0.393
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         10433
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0279
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0447P)²+0.4321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0771
_reflns_number_gt                9745
_reflns_number_total             10433
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400543v_si_002.cif
_cod_data_source_block           sad
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4081787
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.141703(10) 0.195582(9) 0.288136(6) 0.01990(4) Uani 1 1 d . . .
C11 C 0.03575(12) 0.05392(10) 0.23369(7) 0.0278(2) Uani 1 1 d . . .
C12 C -0.02501(12) -0.03508(10) 0.19572(7) 0.0275(2) Uani 1 1 d . A .
C13 C -0.09822(14) -0.14217(11) 0.14599(7) 0.0317(2) Uani 1 1 d D . .
C14 C -0.0420(4) -0.2552(2) 0.1737(2) 0.0694(10) Uani 0.737(3) 1 d PDU A 1
H14A H 0.0569 -0.2452 0.1706 0.083 Uiso 0.737(3) 1 calc PR A 1
H14B H -0.0893 -0.3248 0.1409 0.083 Uiso 0.737(3) 1 calc PR A 1
H14C H -0.0574 -0.2687 0.2273 0.083 Uiso 0.737(3) 1 calc PR A 1
C15 C -0.0768(3) -0.1140(3) 0.06042(13) 0.0649(8) Uani 0.737(3) 1 d PDU A 1
H15A H -0.1136 -0.0400 0.0456 0.078 Uiso 0.737(3) 1 calc PR A 1
H15B H -0.1252 -0.1812 0.0261 0.078 Uiso 0.737(3) 1 calc PR A 1
H15C H 0.0217 -0.1030 0.0561 0.078 Uiso 0.737(3) 1 calc PR A 1
C16 C -0.2580(2) -0.1562(2) 0.15052(15) 0.0503(6) Uani 0.737(3) 1 d PDU A 1
H16A H -0.2749 -0.1770 0.2030 0.060 Uiso 0.737(3) 1 calc PR A 1
H16B H -0.3072 -0.2202 0.1139 0.060 Uiso 0.737(3) 1 calc PR A 1
H16C H -0.2910 -0.0799 0.1374 0.060 Uiso 0.737(3) 1 calc PR A 1
C14A C 0.0129(7) -0.1965(7) 0.1005(4) 0.059(2) Uani 0.263(3) 1 d PDU A 2
H14D H 0.0561 -0.1338 0.0692 0.070 Uiso 0.263(3) 1 calc PR A 2
H14E H -0.0342 -0.2651 0.0668 0.070 Uiso 0.263(3) 1 calc PR A 2
H14F H 0.0837 -0.2235 0.1381 0.070 Uiso 0.263(3) 1 calc PR A 2
C15A C -0.2083(9) -0.1051(7) 0.0901(5) 0.070(3) Uani 0.263(3) 1 d PDU A 2
H15D H -0.2735 -0.0710 0.1180 0.084 Uiso 0.263(3) 1 calc PR A 2
H15E H -0.2567 -0.1755 0.0585 0.084 Uiso 0.263(3) 1 calc PR A 2
H15F H -0.1679 -0.0442 0.0566 0.084 Uiso 0.263(3) 1 calc PR A 2
C16A C -0.1498(11) -0.2490(6) 0.1986(4) 0.069(3) Uani 0.263(3) 1 d PDU A 2
H16D H -0.0724 -0.2659 0.2359 0.083 Uiso 0.263(3) 1 calc PR A 2
H16E H -0.1873 -0.3215 0.1661 0.083 Uiso 0.263(3) 1 calc PR A 2
H16F H -0.2217 -0.2258 0.2265 0.083 Uiso 0.263(3) 1 calc PR A 2
C21 C 0.09195(12) 0.20477(10) 0.39080(7) 0.0269(2) Uani 1 1 d . . .
C22 C 0.07884(11) 0.21219(10) 0.45929(7) 0.0256(2) Uani 1 1 d . . .
C23 C 0.06848(12) 0.22185(11) 0.54415(7) 0.0262(2) Uani 1 1 d D . .
C24 C -0.07729(15) 0.16462(15) 0.56018(8) 0.0423(3) Uani 1 1 d D . .
H24A H -0.1461 0.2097 0.5337 0.051 Uiso 1 1 calc R . .
H24B H -0.0809 0.1676 0.6159 0.051 Uiso 1 1 calc R . .
H24C H -0.0968 0.0804 0.5410 0.051 Uiso 1 1 calc R . .
C25 C 0.17745(17) 0.15097(15) 0.58918(9) 0.0445(3) Uani 1 1 d D . .
H25A H 0.1551 0.0652 0.5736 0.053 Uiso 1 1 calc R . .
H25B H 0.1759 0.1603 0.6449 0.053 Uiso 1 1 calc R . .
H25C H 0.2693 0.1831 0.5771 0.053 Uiso 1 1 calc R . .
C26 C 0.09957(17) 0.35791(12) 0.57094(8) 0.0398(3) Uani 1 1 d D . .
H26A H 0.1906 0.3933 0.5590 0.048 Uiso 1 1 calc R . .
H26B H 0.0982 0.3647 0.6268 0.048 Uiso 1 1 calc R . .
H26C H 0.0295 0.4010 0.5438 0.048 Uiso 1 1 calc R . .
C31 C 0.33298(11) 0.25214(9) 0.27422(6) 0.02149(18) Uani 1 1 d . . .
C32 C 0.44995(11) 0.20339(10) 0.29589(7) 0.0254(2) Uani 1 1 d . . .
H32 H 0.5330 0.2514 0.2813 0.030 Uiso 1 1 calc R . .
C33 C 0.47790(12) 0.08766(11) 0.33878(7) 0.0284(2) Uani 1 1 d . . .
C34 C 0.58278(17) 0.12825(15) 0.41306(9) 0.0467(3) Uani 1 1 d . . .
H34A H 0.5414 0.1782 0.4469 0.056 Uiso 1 1 calc R . .
H34B H 0.6664 0.1751 0.3983 0.056 Uiso 1 1 calc R . .
H34C H 0.6062 0.0569 0.4405 0.056 Uiso 1 1 calc R . .
C35 C 0.34741(14) 0.01212(12) 0.36264(10) 0.0394(3) Uani 1 1 d . . .
H35A H 0.2827 -0.0163 0.3163 0.047 Uiso 1 1 calc R . .
H35B H 0.3038 0.0622 0.3953 0.047 Uiso 1 1 calc R . .
H35C H 0.3729 -0.0573 0.3915 0.047 Uiso 1 1 calc R . .
C36 C 0.54663(19) 0.00886(15) 0.28565(10) 0.0482(4) Uani 1 1 d . . .
H36A H 0.5736 -0.0606 0.3141 0.058 Uiso 1 1 calc R . .
H36B H 0.6284 0.0574 0.2699 0.058 Uiso 1 1 calc R . .
H36C H 0.4810 -0.0197 0.2397 0.058 Uiso 1 1 calc R . .
Al1 Al 0.29631(3) 0.41761(3) 0.236403(19) 0.02046(6) Uani 1 1 d . . .
C01 C 0.34945(13) 0.54516(11) 0.32573(8) 0.0320(2) Uani 1 1 d . . .
C011 C 0.27682(18) 0.65933(13) 0.31361(11) 0.0489(4) Uani 1 1 d . . .
H01A H 0.3125 0.7183 0.3561 0.059 Uiso 1 1 calc R . .
H01B H 0.1774 0.6359 0.3126 0.059 Uiso 1 1 calc R . .
H01C H 0.2951 0.6953 0.2645 0.059 Uiso 1 1 calc R . .
C012 C 0.32414(17) 0.49380(15) 0.40644(8) 0.0449(3) Uani 1 1 d . . .
H01D H 0.3711 0.4235 0.4159 0.054 Uiso 1 1 calc R . .
H01E H 0.2251 0.4697 0.4069 0.054 Uiso 1 1 calc R . .
H01F H 0.3603 0.5561 0.4469 0.054 Uiso 1 1 calc R . .
C013 C 0.50831(16) 0.58949(17) 0.33194(11) 0.0530(4) Uani 1 1 d . . .
H01G H 0.5287 0.6309 0.2848 0.064 Uiso 1 1 calc R . .
H01H H 0.5574 0.5200 0.3382 0.064 Uiso 1 1 calc R . .
H01I H 0.5381 0.6453 0.3767 0.064 Uiso 1 1 calc R . .
C02 C 0.36935(13) 0.46430(11) 0.13373(7) 0.0296(2) Uani 1 1 d . . .
C021 C 0.36062(17) 0.59762(13) 0.10953(10) 0.0433(3) Uani 1 1 d . . .
H02A H 0.4053 0.6141 0.0633 0.052 Uiso 1 1 calc R . .
H02B H 0.4073 0.6535 0.1518 0.052 Uiso 1 1 calc R . .
H02C H 0.2638 0.6084 0.0984 0.052 Uiso 1 1 calc R . .
C022 C 0.30730(17) 0.37888(14) 0.06226(8) 0.0409(3) Uani 1 1 d . . .
H02D H 0.2121 0.3908 0.0454 0.049 Uiso 1 1 calc R . .
H02E H 0.3088 0.2948 0.0765 0.049 Uiso 1 1 calc R . .
H02F H 0.3620 0.3975 0.0201 0.049 Uiso 1 1 calc R . .
C023 C 0.52625(14) 0.45000(14) 0.14967(9) 0.0394(3) Uani 1 1 d . . .
H02G H 0.5344 0.3664 0.1628 0.047 Uiso 1 1 calc R . .
H02H H 0.5725 0.5044 0.1928 0.047 Uiso 1 1 calc R . .
H02I H 0.5694 0.4703 0.1033 0.047 Uiso 1 1 calc R . .
N1 N 0.08404(9) 0.33916(8) 0.23237(5) 0.02215(16) Uani 1 1 d . . .
C41 C -0.00769(12) 0.40674(11) 0.27477(8) 0.0296(2) Uani 1 1 d . . .
H41A H -0.0158 0.4834 0.2495 0.036 Uiso 1 1 calc R . .
H41B H 0.0377 0.4258 0.3278 0.036 Uiso 1 1 calc R . .
C42 C -0.15469(13) 0.33752(14) 0.27788(10) 0.0421(3) Uani 1 1 d . . .
H42A H -0.2057 0.3271 0.2255 0.050 Uiso 1 1 calc R . .
H42B H -0.2029 0.3836 0.3104 0.050 Uiso 1 1 calc R . .
H42C H -0.1482 0.2582 0.2997 0.050 Uiso 1 1 calc R . .
C51 C 0.01448(13) 0.30057(11) 0.15052(7) 0.0302(2) Uani 1 1 d . . .
H51A H -0.0668 0.2401 0.1537 0.036 Uiso 1 1 calc R . .
H51B H 0.0782 0.2623 0.1238 0.036 Uiso 1 1 calc R . .
C52 C -0.03033(16) 0.40691(14) 0.10194(9) 0.0410(3) Uani 1 1 d . . .
H52A H -0.1094 0.4335 0.1213 0.049 Uiso 1 1 calc R . .
H52B H -0.0561 0.3800 0.0476 0.049 Uiso 1 1 calc R . .
H52C H 0.0462 0.4741 0.1063 0.049 Uiso 1 1 calc R . .
F1 F 0.3098(5) 0.9259(7) 0.0801(3) 0.183(3) Uani 0.50 1 d P . .
F2 F 0.3462(6) 0.7981(4) -0.0441(3) 0.169(2) Uani 0.50 1 d P . .
C101 C 0.3980(4) 0.9536(5) 0.0402(3) 0.1173(14) Uani 1 1 d . . .
H101 H 0.3230 0.9162 0.0683 0.150 Uiso 0.50 1 d P . .
C102 C 0.4260(5) 0.8933(3) -0.0241(3) 0.1083(12) Uani 1 1 d . . .
H102 H 0.3685 0.8151 -0.0405 0.150 Uiso 0.50 1 d P . .
C103 C 0.5268(6) 0.9355(4) -0.0655(2) 0.1187(14) Uani 1 1 d . . .
H103 H 0.5455 0.8909 -0.1105 0.142 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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_
_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
C11 Ge1 C21 109.24(5) . .
C11 Ge1 C31 121.99(5) . .
C21 Ge1 C31 118.19(5) . .
C11 Ge1 N1 106.87(5) . .
C21 Ge1 N1 106.92(5) . .
C31 Ge1 N1 89.90(4) . .
C11 Ge1 Al1 132.92(4) . .
C21 Ge1 Al1 115.55(4) . .
C31 Ge1 Al1 43.91(3) . .
N1 Ge1 Al1 46.93(3) . .
C12 C11 Ge1 175.64(11) . .
C11 C12 C13 177.64(13) . .
C15A C13 C12 109.9(3) . .
C15A C13 C14 140.3(3) . .
C12 C13 C14 109.60(14) . .
C15A C13 C15 58.3(4) . .
C12 C13 C15 107.21(14) . .
C14 C13 C15 112.6(2) . .
C15A C13 C16 51.2(4) . .
C12 C13 C16 109.24(12) . .
C14 C13 C16 110.43(19) . .
C15 C13 C16 107.63(17) . .
C15A C13 C16A 114.0(6) . .
C12 C13 C16A 110.0(2) . .
C14 C13 C16A 46.2(4) . .
C15 C13 C16A 141.9(3) . .
C16 C13 C16A 67.0(4) . .
C15A C13 C14A 110.1(5) . .
C12 C13 C14A 108.8(3) . .
C14 C13 C14A 59.7(3) . .
C15 C13 C14A 55.8(3) . .
C16 C13 C14A 141.7(3) . .
C16A C13 C14A 103.7(5) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
C13 C14A H14D 109.5 . .
C13 C14A H14E 109.5 . .
H14D C14A H14E 109.5 . .
C13 C14A H14F 109.5 . .
H14D C14A H14F 109.5 . .
H14E C14A H14F 109.5 . .
C13 C15A H15D 109.5 . .
C13 C15A H15E 109.5 . .
H15D C15A H15E 109.5 . .
C13 C15A H15F 109.5 . .
H15D C15A H15F 109.5 . .
H15E C15A H15F 109.5 . .
C13 C16A H16D 109.5 . .
C13 C16A H16E 109.5 . .
H16D C16A H16E 109.5 . .
C13 C16A H16F 109.5 . .
H16D C16A H16F 109.5 . .
H16E C16A H16F 109.5 . .
C22 C21 Ge1 171.45(10) . .
C21 C22 C23 177.86(12) . .
C22 C23 C24 110.41(10) . .
C22 C23 C26 108.95(10) . .
C24 C23 C26 110.48(11) . .
C22 C23 C25 108.38(10) . .
C24 C23 C25 108.67(12) . .
C26 C23 C25 109.93(11) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C23 C26 H26A 109.5 . .
C23 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C23 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C32 C31 Ge1 130.79(8) . .
C32 C31 Al1 133.79(8) . .
Ge1 C31 Al1 94.52(5) . .
C31 C32 C33 133.06(10) . .
C31 C32 H32 113.5 . .
C33 C32 H32 113.5 . .
C35 C33 C32 113.72(10) . .
C35 C33 C36 109.71(12) . .
C32 C33 C36 108.58(10) . .
C35 C33 C34 109.01(11) . .
C32 C33 C34 107.21(11) . .
C36 C33 C34 108.46(12) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C33 C36 H36A 109.5 . .
C33 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C33 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C31 Al1 C01 110.30(5) . .
C31 Al1 C02 114.25(5) . .
C01 Al1 C02 116.05(5) . .
C31 Al1 N1 83.83(4) . .
C01 Al1 N1 109.52(5) . .
C02 Al1 N1 118.55(5) . .
C31 Al1 Ge1 41.57(3) . .
C01 Al1 Ge1 110.61(4) . .
C02 Al1 Ge1 133.21(4) . .
N1 Al1 Ge1 43.11(3) . .
C011 C01 C012 108.07(12) . .
C011 C01 C013 107.05(12) . .
C012 C01 C013 106.05(12) . .
C011 C01 Al1 114.20(10) . .
C012 C01 Al1 113.42(9) . .
C013 C01 Al1 107.55(9) . .
C01 C011 H01A 109.5 . .
C01 C011 H01B 109.5 . .
H01A C011 H01B 109.5 . .
C01 C011 H01C 109.5 . .
H01A C011 H01C 109.5 . .
H01B C011 H01C 109.5 . .
C01 C012 H01D 109.5 . .
C01 C012 H01E 109.5 . .
H01D C012 H01E 109.5 . .
C01 C012 H01F 109.5 . .
H01D C012 H01F 109.5 . .
H01E C012 H01F 109.5 . .
C01 C013 H01G 109.5 . .
C01 C013 H01H 109.5 . .
H01G C013 H01H 109.5 . .
C01 C013 H01I 109.5 . .
H01G C013 H01I 109.5 . .
H01H C013 H01I 109.5 . .
C022 C02 C021 107.97(11) . .
C022 C02 C023 105.36(11) . .
C021 C02 C023 107.90(11) . .
C022 C02 Al1 115.82(9) . .
C021 C02 Al1 115.05(9) . .
C023 C02 Al1 103.96(8) . .
C02 C021 H02A 109.5 . .
C02 C021 H02B 109.5 . .
H02A C021 H02B 109.5 . .
C02 C021 H02C 109.5 . .
H02A C021 H02C 109.5 . .
H02B C021 H02C 109.5 . .
C02 C022 H02D 109.5 . .
C02 C022 H02E 109.5 . .
H02D C022 H02E 109.5 . .
C02 C022 H02F 109.5 . .
H02D C022 H02F 109.5 . .
H02E C022 H02F 109.5 . .
C02 C023 H02G 109.5 . .
C02 C023 H02H 109.5 . .
H02G C023 H02H 109.5 . .
C02 C023 H02I 109.5 . .
H02G C023 H02I 109.5 . .
H02H C023 H02I 109.5 . .
C41 N1 C51 110.85(9) . .
C41 N1 Ge1 113.84(7) . .
C51 N1 Ge1 109.85(7) . .
C41 N1 Al1 117.85(7) . .
C51 N1 Al1 112.82(7) . .
Ge1 N1 Al1 89.96(4) . .
N1 C41 C42 114.96(10) . .
N1 C41 H41A 108.5 . .
C42 C41 H41A 108.5 . .
N1 C41 H41B 108.5 . .
C42 C41 H41B 108.5 . .
H41A C41 H41B 107.5 . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
N1 C51 C52 113.55(10) . .
N1 C51 H51A 108.9 . .
C52 C51 H51A 108.9 . .
N1 C51 H51B 108.9 . .
C52 C51 H51B 108.9 . .
H51A C51 H51B 107.7 . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C101 F1 H101 38.5 . .
C102 F2 H102 15.1 . .
F1 C101 C102 129.3(7) . .
F1 C101 C103 109.6(7) . 2_675
C102 C101 C103 121.1(4) . 2_675
F1 C101 H101 10.4 . .
C102 C101 H101 119.1 . .
C103 C101 H101 119.8 2_675 .
F2 C102 C103 120.9(6) . .
F2 C102 C101 115.2(7) . .
C103 C102 C101 123.7(4) . .
F2 C102 H102 4.1 . .
C103 C102 H102 118.2 . .
C101 C102 H102 118.1 . .
C102 C103 C101 115.2(4) . 2_675
C102 C103 H103 122.4 . .
C101 C103 H103 122.4 2_675 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 C11 1.8890(12) .
Ge1 C21 1.8906(12) .
Ge1 C31 1.9167(11) .
Ge1 N1 1.9677(9) .
Ge1 Al1 2.8795(5) .
C11 C12 1.1966(16) .
C12 C13 1.4737(16) .
C13 C15A 1.445(6) .
C13 C14 1.488(3) .
C13 C15 1.536(3) .
C13 C16 1.551(2) .
C13 C16A 1.553(6) .
C13 C14A 1.596(6) .
C14 H14A 0.9599 .
C14 H14B 0.9599 .
C14 H14C 0.9599 .
C15 H15A 0.9599 .
C15 H15B 0.9599 .
C15 H15C 0.9599 .
C16 H16A 0.9599 .
C16 H16B 0.9599 .
C16 H16C 0.9599 .
C14A H14D 0.9599 .
C14A H14E 0.9599 .
C14A H14F 0.9599 .
C15A H15D 0.9599 .
C15A H15E 0.9599 .
C15A H15F 0.9599 .
C16A H16D 0.9599 .
C16A H16E 0.9599 .
C16A H16F 0.9599 .
C21 C22 1.1995(16) .
C22 C23 1.4733(16) .
C23 C24 1.5225(17) .
C23 C26 1.5312(17) .
C23 C25 1.5380(18) .
C24 H24A 0.9599 .
C24 H24B 0.9599 .
C24 H24C 0.9599 .
C25 H25A 0.9599 .
C25 H25B 0.9599 .
C25 H25C 0.9599 .
C26 H26A 0.9599 .
C26 H26B 0.9599 .
C26 H26C 0.9599 .
C31 C32 1.3389(14) .
C31 Al1 2.0032(11) .
C32 C33 1.5172(15) .
C32 H32 0.9600 .
C33 C35 1.5146(17) .
C33 C36 1.5317(19) .
C33 C34 1.5330(19) .
C34 H34A 0.9599 .
C34 H34B 0.9599 .
C34 H34C 0.9599 .
C35 H35A 0.9599 .
C35 H35B 0.9599 .
C35 H35C 0.9599 .
C36 H36A 0.9599 .
C36 H36B 0.9599 .
C36 H36C 0.9599 .
Al1 C01 2.0205(13) .
Al1 C02 2.0265(12) .
Al1 N1 2.1037(10) .
C01 C011 1.533(2) .
C01 C012 1.535(2) .
C01 C013 1.5359(19) .
C011 H01A 0.9599 .
C011 H01B 0.9599 .
C011 H01C 0.9599 .
C012 H01D 0.9599 .
C012 H01E 0.9599 .
C012 H01F 0.9599 .
C013 H01G 0.9599 .
C013 H01H 0.9599 .
C013 H01I 0.9599 .
C02 C022 1.5299(19) .
C02 C021 1.5383(18) .
C02 C023 1.5447(18) .
C021 H02A 0.9599 .
C021 H02B 0.9599 .
C021 H02C 0.9599 .
C022 H02D 0.9599 .
C022 H02E 0.9599 .
C022 H02F 0.9599 .
C023 H02G 0.9599 .
C023 H02H 0.9599 .
C023 H02I 0.9599 .
N1 C41 1.4960(14) .
N1 C51 1.4969(15) .
C41 C42 1.5214(17) .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C42 H42A 0.9599 .
C42 H42B 0.9599 .
C42 H42C 0.9599 .
C51 C52 1.5248(17) .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C52 H52A 0.9599 .
C52 H52B 0.9599 .
C52 H52C 0.9599 .
F1 C101 1.175(5) .
F1 H101 0.2824 .
F2 C102 1.219(5) .
F2 H102 0.2634 .
C101 C102 1.356(5) .
C101 C103 1.356(6) 2_675
C101 H101 0.9703 .
C102 C103 1.318(6) .
C102 H102 0.9675 .
C103 C101 1.356(6) 2_675
C103 H103 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C21 Ge1 C11 C12 -162.6(14) . .
C31 Ge1 C11 C12 -18.7(15) . .
N1 Ge1 C11 C12 82.1(15) . .
Al1 Ge1 C11 C12 35.9(15) . .
Ge1 C11 C12 C13 -35(4) . .
C11 C12 C13 C15A -60(3) . .
C11 C12 C13 C14 124(3) . .
C11 C12 C13 C15 2(3) . .
C11 C12 C13 C16 -115(3) . .
C11 C12 C13 C16A 173(3) . .
C11 C12 C13 C14A 60(3) . .
C11 Ge1 C21 C22 128.1(7) . .
C31 Ge1 C21 C22 -17.3(7) . .
N1 Ge1 C21 C22 -116.6(7) . .
Al1 Ge1 C21 C22 -66.8(7) . .
Ge1 C21 C22 C23 1(4) . .
C21 C22 C23 C24 -159(3) . .
C21 C22 C23 C26 80(3) . .
C21 C22 C23 C25 -40(3) . .
C11 Ge1 C31 C32 -69.30(12) . .
C21 Ge1 C31 C32 71.54(12) . .
N1 Ge1 C31 C32 -179.24(11) . .
Al1 Ge1 C31 C32 170.11(13) . .
C11 Ge1 C31 Al1 120.59(5) . .
C21 Ge1 C31 Al1 -98.56(5) . .
N1 Ge1 C31 Al1 10.65(4) . .
Ge1 C31 C32 C33 0.0(2) . .
Al1 C31 C32 C33 166.27(10) . .
C31 C32 C33 C35 -0.6(2) . .
C31 C32 C33 C36 121.85(15) . .
C31 C32 C33 C34 -121.16(15) . .
C32 C31 Al1 C01 -71.07(12) . .
Ge1 C31 Al1 C01 98.55(5) . .
C32 C31 Al1 C02 61.78(13) . .
Ge1 C31 Al1 C02 -128.60(5) . .
C32 C31 Al1 N1 -179.63(12) . .
Ge1 C31 Al1 N1 -10.02(4) . .
C32 C31 Al1 Ge1 -169.62(14) . .
C11 Ge1 Al1 C31 -94.41(7) . .
C21 Ge1 Al1 C31 104.97(6) . .
N1 Ge1 Al1 C31 -165.34(6) . .
C11 Ge1 Al1 C01 167.85(6) . .
C21 Ge1 Al1 C01 7.24(6) . .
C31 Ge1 Al1 C01 -97.73(6) . .
N1 Ge1 Al1 C01 96.93(6) . .
C11 Ge1 Al1 C02 -16.54(7) . .
C21 Ge1 Al1 C02 -177.16(6) . .
C31 Ge1 Al1 C02 77.88(7) . .
N1 Ge1 Al1 C02 -87.46(6) . .
C11 Ge1 Al1 N1 70.93(6) . .
C21 Ge1 Al1 N1 -89.69(5) . .
C31 Ge1 Al1 N1 165.34(6) . .
C31 Al1 C01 C011 -157.90(10) . .
C02 Al1 C01 C011 70.17(11) . .
N1 Al1 C01 C011 -67.36(11) . .
Ge1 Al1 C01 C011 -113.39(10) . .
C31 Al1 C01 C012 -33.48(11) . .
C02 Al1 C01 C012 -165.40(10) . .
N1 Al1 C01 C012 57.07(11) . .
Ge1 Al1 C01 C012 11.04(11) . .
C31 Al1 C01 C013 83.46(11) . .
C02 Al1 C01 C013 -48.47(12) . .
N1 Al1 C01 C013 174.00(10) . .
Ge1 Al1 C01 C013 127.97(10) . .
C31 Al1 C02 C022 60.86(11) . .
C01 Al1 C02 C022 -169.08(9) . .
N1 Al1 C02 C022 -35.50(11) . .
Ge1 Al1 C02 C022 15.50(12) . .
C31 Al1 C02 C021 -171.96(9) . .
C01 Al1 C02 C021 -41.89(12) . .
N1 Al1 C02 C021 91.68(11) . .
Ge1 Al1 C02 C021 142.68(9) . .
C31 Al1 C02 C023 -54.20(10) . .
C01 Al1 C02 C023 75.87(10) . .
N1 Al1 C02 C023 -150.56(8) . .
Ge1 Al1 C02 C023 -99.56(9) . .
C11 Ge1 N1 C41 105.63(8) . .
C21 Ge1 N1 C41 -11.25(8) . .
C31 Ge1 N1 C41 -130.80(8) . .
Al1 Ge1 N1 C41 -120.69(8) . .
C11 Ge1 N1 C51 -19.35(8) . .
C21 Ge1 N1 C51 -136.23(8) . .
C31 Ge1 N1 C51 104.23(8) . .
Al1 Ge1 N1 C51 114.33(8) . .
C11 Ge1 N1 Al1 -133.68(4) . .
C21 Ge1 N1 Al1 109.44(4) . .
C31 Ge1 N1 Al1 -10.11(4) . .
C31 Al1 N1 C41 126.90(8) . .
C01 Al1 N1 C41 17.52(9) . .
C02 Al1 N1 C41 -118.80(8) . .
Ge1 Al1 N1 C41 117.18(9) . .
C31 Al1 N1 C51 -101.87(8) . .
C01 Al1 N1 C51 148.74(8) . .
C02 Al1 N1 C51 12.42(9) . .
Ge1 Al1 N1 C51 -111.60(8) . .
C31 Al1 N1 Ge1 9.72(4) . .
C01 Al1 N1 Ge1 -99.66(5) . .
C02 Al1 N1 Ge1 124.02(5) . .
C51 N1 C41 C42 55.03(14) . .
Ge1 N1 C41 C42 -69.41(12) . .
Al1 N1 C41 C42 -172.86(9) . .
C41 N1 C51 C52 54.90(13) . .
Ge1 N1 C51 C52 -178.42(9) . .
Al1 N1 C51 C52 -79.73(11) . .
F1 C101 C102 F2 1.7(6) . .
C103 C101 C102 F2 -175.8(3) 2_675 .
F1 C101 C102 C103 178.3(4) . .
C103 C101 C102 C103 0.8(5) 2_675 .
F2 C102 C103 C101 175.6(3) . 2_675
C101 C102 C103 C101 -0.8(5) . 2_675
