#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:44:31 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180153 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/49/7104959.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_7104959
loop_
_publ_author_name
'Yao, Shenglai'
'Xiong, Yun'
'Driess, Matthias'
_publ_section_title
;
 From NHC-->germylenes to stable NHC-->germanone complexes.
;
_journal_issue                   42
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6466
_journal_page_last               6468
_journal_paper_doi               10.1039/b914060c
_journal_year                    2009
_chemical_formula_sum            'C41 H64 Cl2 Ge N4 O2'
_chemical_formula_weight         788.45
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 102.959(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6635(3)
_cell_length_b                   24.5936(7)
_cell_length_c                   15.6283(3)
_cell_measurement_reflns_used    8726
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.3107
_cell_measurement_theta_min      2.9617
_cell_volume                     4368.76(19)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S Sapphire'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0602
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18717
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    0.860
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_platon_squeeze_details
;
;
_refine_diff_density_max         0.977
_refine_diff_density_min         -0.690
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         7646
_refine_ls_number_restraints     76
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0918
_refine_ls_R_factor_gt           0.0645
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0939P)²+6.4070P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1584
_refine_ls_wR_factor_ref         0.1693
_reflns_number_gt                5710
_reflns_number_total             7646
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b914060c.txt
_cod_data_source_block           3a
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7104959
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.63740(4) 0.131877(18) 0.21633(3) 0.01949(15) Uani 1 1 d . . .
Cl1 Cl 0.96720(17) 0.25913(9) -0.09285(11) 0.0880(7) Uani 1 1 d . . .
Cl2 Cl 1.04930(19) 0.35932(12) -0.00459(13) 0.1093(9) Uani 1 1 d . . .
O1 O 0.7010(3) 0.15914(13) 0.31335(18) 0.0269(7) Uani 1 1 d . . .
O2 O 0.8600(7) 0.3882(2) 0.2623(5) 0.116(2) Uani 1 1 d DU . .
N1 N 0.4793(3) 0.11333(16) 0.1985(2) 0.0260(8) Uani 1 1 d . . .
N2 N 0.7000(3) 0.06660(14) 0.1888(2) 0.0235(8) Uani 1 1 d . . .
N3 N 0.6158(3) 0.17734(16) 0.0311(2) 0.0324(9) Uani 1 1 d . . .
N4 N 0.7072(3) 0.23189(14) 0.1291(2) 0.0256(8) Uani 1 1 d . . .
C1 C 0.3121(5) 0.0576(3) 0.1294(3) 0.0522(16) Uani 1 1 d . . .
H1A H 0.2600 0.0831 0.1464 0.063 Uiso 1 1 calc R . .
H1B H 0.2817 0.0259 0.0975 0.063 Uiso 1 1 calc R . .
C2 C 0.4332(4) 0.0668(2) 0.1515(3) 0.0335(11) Uani 1 1 d . . .
C3 C 0.5091(4) 0.0278(2) 0.1266(3) 0.0339(11) Uani 1 1 d . . .
H3 H 0.4699 -0.0011 0.0915 0.041 Uiso 1 1 calc R . .
C4 C 0.6303(4) 0.02469(19) 0.1448(3) 0.0301(10) Uani 1 1 d . . .
C5 C 0.6877(5) -0.0214(2) 0.1156(4) 0.0494(14) Uani 1 1 d . . .
H5A H 0.6283 -0.0469 0.0844 0.074 Uiso 1 1 calc R . .
H5B H 0.7373 -0.0395 0.1664 0.074 Uiso 1 1 calc R . .
H5C H 0.7366 -0.0090 0.0759 0.074 Uiso 1 1 calc R . .
C6 C 0.4009(4) 0.14760(19) 0.2335(3) 0.0291(10) Uani 1 1 d . A .
C7 C 0.3357(5) 0.1882(3) 0.1805(4) 0.0579(17) Uani 1 1 d . . .
C8 C 0.2570(6) 0.2193(3) 0.2138(6) 0.076(2) Uani 1 1 d . A .
H8 H 0.2128 0.2468 0.1783 0.091 Uiso 1 1 calc R . .
C9 C 0.2420(5) 0.2109(3) 0.2975(5) 0.0658(19) Uani 1 1 d . . .
H9 H 0.1869 0.2323 0.3191 0.079 Uiso 1 1 calc R A .
C10 C 0.3060(5) 0.1720(3) 0.3495(4) 0.0506(15) Uani 1 1 d . A .
H10 H 0.2945 0.1668 0.4073 0.061 Uiso 1 1 calc R . .
C11 C 0.3882(4) 0.1396(2) 0.3200(3) 0.0336(11) Uani 1 1 d . . .
C12 C 0.4604(4) 0.0985(2) 0.3796(3) 0.0388(12) Uani 1 1 d . A .
H12 H 0.5382 0.0964 0.3629 0.047 Uiso 1 1 calc R . .
C13 C 0.4856(6) 0.1146(3) 0.4771(4) 0.0669(19) Uani 1 1 d . . .
H13A H 0.5179 0.1515 0.4842 0.100 Uiso 1 1 calc R A .
H13B H 0.5425 0.0892 0.5114 0.100 Uiso 1 1 calc R . .
H13C H 0.4123 0.1134 0.4979 0.100 Uiso 1 1 calc R . .
C14 C 0.4075(7) 0.0419(3) 0.3674(4) 0.0679(19) Uani 1 1 d . . .
H14A H 0.3287 0.0425 0.3795 0.102 Uiso 1 1 calc R A .
H14B H 0.4575 0.0167 0.4079 0.102 Uiso 1 1 calc R . .
H14C H 0.4022 0.0299 0.3068 0.102 Uiso 1 1 calc R . .
C18 C 0.8207(4) 0.0547(2) 0.2325(3) 0.0369(12) Uani 1 1 d . . .
C19 C 0.9129(5) 0.0681(3) 0.1948(4) 0.0521(15) Uani 1 1 d . . .
C20 C 1.0292(6) 0.0562(4) 0.2447(6) 0.093(3) Uani 1 1 d . . .
H20 H 1.0963 0.0674 0.2241 0.112 Uiso 1 1 calc R . .
C21 C 1.0423(8) 0.0286(5) 0.3225(5) 0.120(4) Uani 1 1 d . . .
H21 H 1.1195 0.0186 0.3527 0.143 Uiso 1 1 calc R . .
C22 C 0.9533(7) 0.0150(5) 0.3579(5) 0.113(4) Uani 1 1 d . . .
H22 H 0.9681 -0.0034 0.4128 0.136 Uiso 1 1 calc R . .
C23 C 0.8389(6) 0.0273(3) 0.3156(4) 0.0609(18) Uani 1 1 d . . .
C24 C 0.7425(6) 0.0117(3) 0.3593(4) 0.0648(19) Uani 1 1 d . . .
H24 H 0.6682 0.0272 0.3229 0.078 Uiso 1 1 calc R . .
C25 C 0.7596(7) 0.0372(4) 0.4496(4) 0.094(3) Uani 1 1 d . . .
H25A H 0.8303 0.0221 0.4883 0.141 Uiso 1 1 calc R . .
H25B H 0.6910 0.0294 0.4741 0.141 Uiso 1 1 calc R . .
H25C H 0.7685 0.0766 0.4449 0.141 Uiso 1 1 calc R . .
C26 C 0.7253(12) -0.0495(4) 0.3614(8) 0.154(5) Uani 1 1 d . . .
H26A H 0.7052 -0.0636 0.3012 0.231 Uiso 1 1 calc R . .
H26B H 0.6615 -0.0578 0.3908 0.231 Uiso 1 1 calc R . .
H26C H 0.7982 -0.0667 0.3935 0.231 Uiso 1 1 calc R . .
C27 C 0.8950(6) 0.0957(3) 0.1088(5) 0.0617(18) Uani 1 1 d . . .
H27 H 0.8083 0.1002 0.0858 0.074 Uiso 1 1 calc R . .
C28 C 0.9427(8) 0.0604(4) 0.0415(5) 0.099(3) Uani 1 1 d . . .
H28A H 1.0213 0.0469 0.0691 0.149 Uiso 1 1 calc R . .
H28B H 0.9469 0.0826 -0.0098 0.149 Uiso 1 1 calc R . .
H28C H 0.8897 0.0296 0.0231 0.149 Uiso 1 1 calc R . .
C29 C 0.9501(8) 0.1516(3) 0.1137(8) 0.122(4) Uani 1 1 d . . .
H29A H 0.9198 0.1741 0.1555 0.183 Uiso 1 1 calc R . .
H29B H 0.9305 0.1686 0.0555 0.183 Uiso 1 1 calc R . .
H29C H 1.0358 0.1484 0.1332 0.183 Uiso 1 1 calc R . .
C30 C 0.6539(4) 0.18302(17) 0.1186(3) 0.0228(9) Uani 1 1 d . . .
C31 C 0.6427(5) 0.2227(2) -0.0131(3) 0.0364(12) Uani 1 1 d . . .
C32 C 0.7027(4) 0.25731(19) 0.0491(3) 0.0300(10) Uani 1 1 d . . .
C33 C 0.7672(6) 0.2562(2) 0.2125(3) 0.0488(15) Uani 1 1 d . . .
H33A H 0.7578 0.2326 0.2610 0.073 Uiso 1 1 calc R . .
H33B H 0.7330 0.2920 0.2188 0.073 Uiso 1 1 calc R . .
H33C H 0.8511 0.2603 0.2135 0.073 Uiso 1 1 calc R . .
C34 C 0.5563(6) 0.1298(2) -0.0138(3) 0.0569(18) Uani 1 1 d . . .
H34A H 0.6072 0.1122 -0.0476 0.085 Uiso 1 1 calc R . .
H34B H 0.4827 0.1410 -0.0535 0.085 Uiso 1 1 calc R . .
H34C H 0.5390 0.1041 0.0296 0.085 Uiso 1 1 calc R . .
C35 C 0.6080(6) 0.2287(3) -0.1100(3) 0.0628(19) Uani 1 1 d . . .
H35A H 0.5231 0.2227 -0.1298 0.094 Uiso 1 1 calc R . .
H35B H 0.6503 0.2019 -0.1376 0.094 Uiso 1 1 calc R . .
H35C H 0.6276 0.2654 -0.1265 0.094 Uiso 1 1 calc R . .
C36 C 0.7578(5) 0.3107(2) 0.0401(3) 0.0466(14) Uani 1 1 d . . .
H36A H 0.7367 0.3223 -0.0214 0.070 Uiso 1 1 calc R . .
H36B H 0.8435 0.3074 0.0589 0.070 Uiso 1 1 calc R . .
H36C H 0.7296 0.3376 0.0768 0.070 Uiso 1 1 calc R . .
C37 C 0.9716(5) 0.3306(3) -0.1033(4) 0.067(2) Uani 1 1 d . . .
H37A H 1.0105 0.3403 -0.1514 0.080 Uiso 1 1 calc R . .
H37B H 0.8905 0.3453 -0.1181 0.080 Uiso 1 1 calc R . .
C38 C 1.0599(11) 0.3541(3) 0.2459(7) 0.124(4) Uani 1 1 d . . .
H38A H 1.0310 0.3169 0.2481 0.186 Uiso 1 1 calc R . .
H38B H 1.1424 0.3560 0.2776 0.186 Uiso 1 1 calc R . .
H38C H 1.0534 0.3648 0.1846 0.186 Uiso 1 1 calc R . .
C39 C 0.9872(13) 0.3922(6) 0.2881(12) 0.198(5) Uani 1 1 d DU . .
H39A H 1.0106 0.3866 0.3524 0.238 Uiso 1 1 calc R . .
H39B H 1.0093 0.4299 0.2764 0.238 Uiso 1 1 calc R . .
C40 C 0.7535(13) 0.4183(5) 0.2670(12) 0.205(6) Uani 1 1 d DU . .
H40A H 0.7709 0.4319 0.3281 0.246 Uiso 1 1 calc R . .
H40B H 0.7579 0.4508 0.2303 0.246 Uiso 1 1 calc R . .
C41 C 0.6274(7) 0.4071(3) 0.2495(5) 0.075(2) Uani 1 1 d . . .
H41A H 0.6082 0.3778 0.2061 0.112 Uiso 1 1 calc R . .
H41B H 0.5835 0.4399 0.2265 0.112 Uiso 1 1 calc R . .
H41C H 0.6059 0.3960 0.3040 0.112 Uiso 1 1 calc R . .
C15A C 0.359(2) 0.2174(12) 0.110(2) 0.069(5) Uani 0.32 1 d PU A 1
H15A H 0.4089 0.1927 0.0833 0.082 Uiso 0.32 1 calc PR A 1
C16A C 0.243(2) 0.2215(12) 0.0412(17) 0.083(6) Uani 0.32 1 d PU A 1
H16A H 0.2085 0.1852 0.0290 0.124 Uiso 0.32 1 calc PR A 1
H16B H 0.2576 0.2372 -0.0129 0.124 Uiso 0.32 1 calc PR A 1
H16C H 0.1877 0.2448 0.0634 0.124 Uiso 0.32 1 calc PR A 1
C17A C 0.429(2) 0.2721(11) 0.1266(19) 0.080(6) Uani 0.32 1 d PU A 1
H17A H 0.3816 0.2999 0.1471 0.121 Uiso 0.32 1 calc PR A 1
H17B H 0.4488 0.2842 0.0718 0.121 Uiso 0.32 1 calc PR A 1
H17C H 0.5022 0.2664 0.1712 0.121 Uiso 0.32 1 calc PR A 1
C15B C 0.3463(10) 0.1927(5) 0.0807(7) 0.062(3) Uani 0.68 1 d PU A 2
H15B H 0.4074 0.1662 0.0713 0.074 Uiso 0.68 1 calc PR A 2
C16B C 0.2318(9) 0.1806(6) 0.0134(7) 0.080(4) Uani 0.68 1 d PU A 2
H16D H 0.1694 0.2047 0.0239 0.120 Uiso 0.68 1 calc PR A 2
H16E H 0.2090 0.1426 0.0194 0.120 Uiso 0.68 1 calc PR A 2
H16F H 0.2436 0.1866 -0.0460 0.120 Uiso 0.68 1 calc PR A 2
C17B C 0.3895(9) 0.2500(5) 0.0672(9) 0.077(3) Uani 0.68 1 d PU A 2
H17D H 0.4028 0.2533 0.0077 0.115 Uiso 0.68 1 calc PR A 2
H17E H 0.4632 0.2570 0.1101 0.115 Uiso 0.68 1 calc PR A 2
H17F H 0.3301 0.2766 0.0751 0.115 Uiso 0.68 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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
O1 Ge1 N2 116.12(15) . . ?
O1 Ge1 N1 117.25(15) . . ?
N2 Ge1 N1 100.48(16) . . ?
O1 Ge1 C30 109.72(16) . . ?
N2 Ge1 C30 104.72(16) . . ?
N1 Ge1 C30 107.41(16) . . ?
C39 O2 C40 141.2(10) . . ?
C2 N1 C6 118.5(4) . . ?
C2 N1 Ge1 122.0(3) . . ?
C6 N1 Ge1 119.5(3) . . ?
C4 N2 C18 118.7(4) . . ?
C4 N2 Ge1 122.5(3) . . ?
C18 N2 Ge1 117.2(3) . . ?
C30 N3 C31 111.3(4) . . ?
C30 N3 C34 125.8(4) . . ?
C31 N3 C34 122.9(4) . . ?
C30 N4 C32 111.6(3) . . ?
C30 N4 C33 126.2(4) . . ?
C32 N4 C33 122.2(4) . . ?
C1 C2 N1 120.6(5) . . ?
C1 C2 C3 118.9(5) . . ?
N1 C2 C3 120.4(4) . . ?
C4 C3 C2 131.0(4) . . ?
C3 C4 N2 121.2(4) . . ?
C3 C4 C5 120.4(4) . . ?
N2 C4 C5 118.4(4) . . ?
C7 C6 C11 120.3(5) . . ?
C7 C6 N1 120.0(4) . . ?
C11 C6 N1 119.7(4) . . ?
C8 C7 C15A 105.9(14) . . ?
C8 C7 C6 119.3(6) . . ?
C15A C7 C6 131.1(13) . . ?
C8 C7 C15B 122.3(7) . . ?
C15A C7 C15B 28.3(13) . . ?
C6 C7 C15B 118.2(6) . . ?
C9 C8 C7 120.8(6) . . ?
C10 C9 C8 120.3(6) . . ?
C9 C10 C11 121.6(6) . . ?
C10 C11 C6 117.7(5) . . ?
C10 C11 C12 120.6(5) . . ?
C6 C11 C12 121.8(4) . . ?
C11 C12 C14 112.6(4) . . ?
C11 C12 C13 113.5(5) . . ?
C14 C12 C13 110.1(4) . . ?
C19 C18 C23 121.9(5) . . ?
C19 C18 N2 121.2(5) . . ?
C23 C18 N2 116.9(5) . . ?
C18 C19 C20 116.9(6) . . ?
C18 C19 C27 122.3(5) . . ?
C20 C19 C27 120.8(6) . . ?
C21 C20 C19 119.1(7) . . ?
C22 C21 C20 123.6(8) . . ?
C21 C22 C23 120.5(8) . . ?
C22 C23 C18 117.8(7) . . ?
C22 C23 C24 118.0(6) . . ?
C18 C23 C24 124.1(5) . . ?
C23 C24 C26 112.5(6) . . ?
C23 C24 C25 111.3(6) . . ?
C26 C24 C25 112.4(7) . . ?
C19 C27 C29 113.6(7) . . ?
C19 C27 C28 111.0(6) . . ?
C29 C27 C28 109.2(6) . . ?
N4 C30 N3 104.7(3) . . ?
N4 C30 Ge1 125.7(3) . . ?
N3 C30 Ge1 129.6(3) . . ?
C32 C31 N3 106.6(4) . . ?
C32 C31 C35 130.2(4) . . ?
N3 C31 C35 123.2(4) . . ?
C31 C32 N4 105.7(4) . . ?
C31 C32 C36 130.6(4) . . ?
N4 C32 C36 123.7(4) . . ?
Cl2 C37 Cl1 109.8(3) . . ?
O2 C39 C38 118.4(12) . . ?
C41 C40 O2 136.5(9) . . ?
C7 C15A C16A 107(2) . . ?
C7 C15A C17A 120(2) . . ?
C16A C15A C17A 114(2) . . ?
C17B C15B C16B 110.4(9) . . ?
C17B C15B C7 107.4(10) . . ?
C16B C15B C7 114.2(8) . . ?
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 O1 1.672(3) . ?
Ge1 N2 1.854(4) . ?
Ge1 N1 1.859(3) . ?
Ge1 C30 2.020(4) . ?
Cl1 C37 1.768(8) . ?
Cl2 C37 1.753(6) . ?
O2 C39 1.451(12) . ?
O2 C40 1.462(11) . ?
N1 C2 1.401(6) . ?
N1 C6 1.438(6) . ?
N2 C4 1.395(6) . ?
N2 C18 1.450(6) . ?
N3 C30 1.347(5) . ?
N3 C31 1.384(6) . ?
N3 C34 1.458(6) . ?
N4 C30 1.346(5) . ?
N4 C32 1.389(5) . ?
N4 C33 1.461(6) . ?
C1 C2 1.395(7) . ?
C2 C3 1.417(7) . ?
C3 C4 1.380(7) . ?
C4 C5 1.441(7) . ?
C6 C7 1.407(7) . ?
C6 C11 1.406(6) . ?
C7 C8 1.381(9) . ?
C7 C15A 1.39(3) . ?
C7 C15B 1.597(13) . ?
C8 C9 1.373(10) . ?
C9 C10 1.364(9) . ?
C10 C11 1.403(7) . ?
C11 C12 1.499(7) . ?
C12 C14 1.517(8) . ?
C12 C13 1.538(7) . ?
C18 C19 1.378(7) . ?
C18 C23 1.435(8) . ?
C19 C20 1.436(9) . ?
C19 C27 1.477(9) . ?
C20 C21 1.372(11) . ?
C21 C22 1.324(12) . ?
C22 C23 1.383(9) . ?
C23 C24 1.491(9) . ?
C24 C26 1.520(11) . ?
C24 C25 1.517(9) . ?
C27 C29 1.513(10) . ?
C27 C28 1.559(8) . ?
C31 C32 1.361(7) . ?
C31 C35 1.485(6) . ?
C32 C36 1.481(7) . ?
C38 C39 1.510(17) . ?
C40 C41 1.461(15) . ?
C15A C16A 1.53(3) . ?
C15A C17A 1.57(4) . ?
C15B C17B 1.528(15) . ?
C15B C16B 1.533(14) . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.378 0.340 0.256 25 7 ' '
2 0.378 0.160 0.756 25 8 ' '
3 0.621 0.840 0.244 25 7 ' '
4 0.621 0.660 0.744 25 6 ' '
