#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/14/7111434.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7111434
loop_
_publ_author_name
'Wong, Wai-Yeung'
'Poon, Suk-Yue'
'Lee, Albert W.-M.'
'Shi, Jian-Xin'
'Cheah, Kok-Wai'
_publ_section_title
;
 Oligo(fluorenyleneethynylenegermylene)s and their metallopolymers
;
_journal_issue                   21
_journal_name_full               'Chemical Communications'
_journal_page_first              2420
_journal_page_last               2421
_journal_paper_doi               10.1039/b409580d
_journal_year                    2004
_chemical_formula_moiety         'C70 H76 Ge '
_chemical_formula_sum            'C70 H76 Ge'
_chemical_formula_weight         989.96
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_audit_creation_date             2004-08-11
_audit_creation_method           'by CrystalStructure v3.5.1'
_cell_angle_alpha                90
_cell_angle_beta                 97.021(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.1566(7)
_cell_length_b                   12.0396(9)
_cell_length_c                   26.852(2)
_cell_measurement_temperature    298(1)
_cell_volume                     2938.0(4)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT & CrystalStructure'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9300
_diffrn_measured_fraction_theta_max 0.9300
_diffrn_measurement_device_type  'Smart CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            17699
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_exptl_absorpt_coefficient_mu    0.560
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.7856
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.119
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1056.00
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     359
_refine_ls_number_reflns         4172
_refine_ls_R_factor_gt           0.0510
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w == 1/[0.0002Fo² + 1.0000σ(Fo²) + 0.0090]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0530
_reflns_number_gt                4148
_reflns_number_total             7122
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            b409580dsup1.cif
_cod_data_source_block           '_wy0807wm'
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_original_formula_sum        'C70 H76 Ge '
_cod_database_code               7111434
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,y,-z+1/2
x,-y,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
Ge(1) Ge 0.5000 0.07452(4) 0.7500 0.0496(1) Uani 1.00 1 d
C(1) C 1.5080(5) 0.6820(4) 0.5129(2) 0.107(2) Uani 1.00 1 d
C(2) C 1.4080(4) 0.6463(3) 0.5290(1) 0.0715(13) Uani 1.00 1 d
C(3) C 1.2805(4) 0.5990(3) 0.54807(12) 0.0556(10) Uani 1.00 1 d
C(4) C 1.1406(4) 0.6365(3) 0.53084(12) 0.0593(11) Uani 1.00 1 d
C(5) C 1.0178(4) 0.5898(3) 0.54729(11) 0.0554(10) Uani 1.00 1 d
C(6) C 1.0357(3) 0.5034(3) 0.58171(11) 0.0459(9) Uani 1.00 1 d
C(7) C 0.9277(3) 0.4366(3) 0.60455(10) 0.0462(8) Uani 1.00 1 d
C(8) C 0.7751(3) 0.4363(3) 0.59636(12) 0.0561(10) Uani 1.00 1 d
C(9) C 0.6996(3) 0.3633(3) 0.62326(12) 0.0588(10) Uani 1.00 1 d
C(10) C 0.7718(3) 0.2912(3) 0.65829(12) 0.0518(10) Uani 1.00 1 d
C(11) C 0.9259(3) 0.2903(3) 0.66555(11) 0.0527(10) Uani 1.00 1 d
C(12) C 1.0027(3) 0.3624(3) 0.63849(11) 0.0471(9) Uani 1.00 1 d
C(13) C 1.1692(3) 0.3733(3) 0.63850(12) 0.0517(9) Uani 1.00 1 d
C(14) C 1.1762(3) 0.4665(3) 0.60052(11) 0.0478(9) Uani 1.00 1 d
C(15) C 1.2976(3) 0.5143(3) 0.58341(12) 0.0565(10) Uani 1.00 1 d
C(16) C 1.2364(3) 0.2649(3) 0.6215(1) 0.0628(11) Uani 1.00 1 d
C(17) C 1.1783(4) 0.2245(3) 0.5698(2) 0.0714(12) Uani 1.00 1 d
C(18) C 1.2461(5) 0.1165(4) 0.5547(2) 0.096(2) Uani 1.00 1 d
C(19) C 1.2001(5) 0.0803(4) 0.5013(2) 0.110(2) Uani 1.00 1 d
C(20) C 1.2643(8) -0.0296(5) 0.4884(3) 0.167(3) Uani 1.00 1 d
C(21) C 1.2327(9) -0.0631(6) 0.4369(3) 0.193(4) Uani 1.00 1 d
C(22) C 1.2487(4) 0.4073(3) 0.69029(13) 0.0690(12) Uani 1.00 1 d
C(23) C 1.1927(4) 0.5114(4) 0.7129(1) 0.087(2) Uani 1.00 1 d
C(24) C 1.2836(5) 0.5514(4) 0.7591(2) 0.100(2) Uani 1.00 1 d
C(25) C 1.2290(5) 0.6455(5) 0.7862(2) 0.120(2) Uani 1.00 1 d
C(26) C 1.3314(7) 0.6847(5) 0.8305(2) 0.130(3) Uani 1.00 1 d
C(27) C 1.2651(7) 0.7652(6) 0.8603(2) 0.158(3) Uani 1.00 1 d
C(28) C 0.6870(3) 0.2198(3) 0.68694(12) 0.0544(10) Uani 1.00 1 d
C(29) C 0.6109(3) 0.1653(3) 0.71034(12) 0.0558(10) Uani 1.00 1 d
C(30) C 0.3592(4) -0.0148(3) 0.70754(13) 0.0602(11) Uani 1.00 1 d
C(31) C 0.4023(5) -0.0770(4) 0.6694(2) 0.100(2) Uani 1.00 1 d
C(32) C 0.3037(7) -0.1452(5) 0.6402(2) 0.118(2) Uani 1.00 1 d
C(33) C 0.1638(8) -0.1499(5) 0.6485(2) 0.129(3) Uani 1.00 1 d
C(34) C 0.1166(6) -0.0863(7) 0.6852(3) 0.162(3) Uani 1.00 1 d
C(35) C 0.2140(5) -0.0196(5) 0.7145(2) 0.114(2) Uani 1.00 1 d
H(1) H 1.5911(5) 0.7116(4) 0.4995(2) 0.129(2) Uiso 1.00 1 c
H(2) H 1.1290(4) 0.6955(3) 0.50721(12) 0.071(2) Uiso 1.00 1 c
H(3) H 0.9223(4) 0.6164(3) 0.53527(11) 0.066(1) Uiso 1.00 1 c
H(4) H 0.7238(3) 0.4854(3) 0.57266(12) 0.067(1) Uiso 1.00 1 c
H(5) H 0.5951(3) 0.3623(3) 0.61768(12) 0.071(2) Uiso 1.00 1 c
H(6) H 0.9770(3) 0.2403(3) 0.68892(11) 0.063(1) Uiso 1.00 1 c
H(7) H 1.3935(3) 0.4891(3) 0.59587(12) 0.068(1) Uiso 1.00 1 c
H(8) H 1.3394(3) 0.2760(3) 0.6224(1) 0.075(2) Uiso 1.00 1 c
H(9) H 1.2186(3) 0.2085(3) 0.6448(1) 0.075(2) Uiso 1.00 1 c
H(10) H 1.0751(4) 0.2138(3) 0.5686(2) 0.086(2) Uiso 1.00 1 c
H(11) H 1.1971(4) 0.2801(3) 0.5463(2) 0.086(2) Uiso 1.00 1 c
H(12) H 1.3500(5) 0.1251(4) 0.5592(2) 0.115(2) Uiso 1.00 1 c
H(13) H 1.2192(5) 0.0596(4) 0.5763(2) 0.115(2) Uiso 1.00 1 c
H(14) H 1.0959(5) 0.0744(4) 0.4962(2) 0.132(2) Uiso 1.00 1 c
H(15) H 1.2310(5) 0.1352(4) 0.4794(2) 0.132(2) Uiso 1.00 1 c
H(16) H 1.3682(8) -0.0252(5) 0.4962(3) 0.200(4) Uiso 1.00 1 c
H(17) H 1.2270(8) -0.0851(5) 0.5086(3) 0.200(4) Uiso 1.00 1 c
H(18) H 1.1294(9) -0.0714(6) 0.4286(3) 0.232(4) Uiso 1.00 1 c
H(19) H 1.2677(9) -0.0082(6) 0.4159(3) 0.232(4) Uiso 1.00 1 c
H(20) H 1.2800(9) -0.1318(6) 0.4321(3) 0.232(4) Uiso 1.00 1 c
H(21) H 1.2392(4) 0.3478(3) 0.71293(13) 0.083(2) Uiso 1.00 1 c
H(22) H 1.3498(4) 0.4182(3) 0.68685(13) 0.083(2) Uiso 1.00 1 c
H(23) H 1.1891(4) 0.5687(4) 0.6884(1) 0.105(2) Uiso 1.00 1 c
H(24) H 1.0963(4) 0.4971(4) 0.7209(1) 0.105(2) Uiso 1.00 1 c
H(25) H 1.2957(5) 0.4906(4) 0.7818(2) 0.120(2) Uiso 1.00 1 c
H(26) H 1.3766(5) 0.5723(4) 0.7499(2) 0.120(2) Uiso 1.00 1 c
H(27) H 1.2114(5) 0.7057(5) 0.7634(2) 0.144(3) Uiso 1.00 1 c
H(28) H 1.1392(5) 0.6239(5) 0.7977(2) 0.144(2) Uiso 1.00 1 c
H(29) H 1.3611(7) 0.6225(5) 0.8510(2) 0.155(3) Uiso 1.00 1 c
H(30) H 1.4152(7) 0.7173(5) 0.8188(2) 0.155(3) Uiso 1.00 1 c
H(31) H 1.3329(7) 0.7877(6) 0.8881(2) 0.191(3) Uiso 1.00 1 c
H(32) H 1.2370(7) 0.8278(6) 0.8398(2) 0.191(3) Uiso 1.00 1 c
H(33) H 1.1805(7) 0.7339(6) 0.8721(2) 0.191(3) Uiso 1.00 1 c
H(34) H 0.5018(5) -0.0736(4) 0.6627(2) 0.120(2) Uiso 1.00 1 c
H(35) H 0.3365(7) -0.1886(5) 0.6141(2) 0.141(2) Uiso 1.00 1 c
H(36) H 0.0970(8) -0.1976(5) 0.6289(2) 0.155(3) Uiso 1.00 1 c
H(37) H 0.0160(6) -0.0880(7) 0.6906(3) 0.195(4) Uiso 1.00 1 c
H(38) H 0.1796(5) 0.0240(5) 0.7401(2) 0.137(2) Uiso 1.00 1 c
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ge Ge 0.155 1.800
;
International Tables for Crystallography
(1992, 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_publ_flag
C(29) Ge(1) C(30) 110.6(1) yes
C(2) C(1) H(1) 180.0(9) no
C(3) C(2) C(1) 178.2(4) yes
C(4) C(3) C(15) 119.4(3) yes
C(4) C(3) C(2) 120.5(3) yes
C(15) C(3) C(2) 120.1(3) yes
C(5) C(4) H(2) 119.4(4) no
C(5) C(4) C(3) 121.3(3) yes
H(2) C(4) C(3) 119.4(4) no
C(6) C(5) H(3) 120.5(4) no
C(6) C(5) C(4) 119.0(3) yes
H(3) C(5) C(4) 120.5(4) no
C(7) C(6) C(14) 108.2(3) yes
C(7) C(6) C(5) 131.2(3) yes
C(14) C(6) C(5) 120.6(3) yes
C(8) C(7) C(12) 120.5(3) yes
C(8) C(7) C(6) 130.8(3) yes
C(12) C(7) C(6) 108.7(2) yes
C(9) C(8) H(4) 120.7(3) no
C(9) C(8) C(7) 118.7(3) yes
H(4) C(8) C(7) 120.7(4) no
C(10) C(9) H(5) 119.1(4) no
C(10) C(9) C(8) 121.8(3) yes
H(5) C(9) C(8) 119.1(4) no
C(11) C(10) C(28) 121.3(3) yes
C(11) C(10) C(9) 119.2(3) yes
C(28) C(10) C(9) 119.5(3) yes
C(12) C(11) H(6) 120.3(3) no
C(12) C(11) C(10) 119.4(3) yes
H(6) C(11) C(10) 120.3(4) no
C(13) C(12) C(7) 110.8(3) yes
C(13) C(12) C(11) 128.8(3) yes
C(7) C(12) C(11) 120.3(3) yes
C(14) C(13) C(16) 112.1(3) yes
C(14) C(13) C(22) 110.8(3) yes
C(14) C(13) C(12) 100.8(2) yes
C(16) C(13) C(22) 109.3(3) yes
C(16) C(13) C(12) 111.2(3) yes
C(22) C(13) C(12) 112.5(3) yes
C(15) C(14) C(6) 119.4(3) yes
C(15) C(14) C(13) 129.2(3) yes
C(6) C(14) C(13) 111.4(3) yes
H(7) C(15) C(3) 119.8(4) no
H(7) C(15) C(14) 119.8(4) no
C(3) C(15) C(14) 120.4(3) yes
C(17) C(16) H(8) 107.8(4) no
C(17) C(16) H(9) 107.8(4) no
C(17) C(16) C(13) 116.1(3) yes
H(8) C(16) H(9) 109.5(4) no
H(8) C(16) C(13) 107.8(4) no
H(9) C(16) C(13) 107.8(4) no
C(18) C(17) H(10) 108.2(4) no
C(18) C(17) H(11) 108.2(4) no
C(18) C(17) C(16) 114.4(3) yes
H(10) C(17) H(11) 109.5(5) no
H(10) C(17) C(16) 108.2(4) no
H(11) C(17) C(16) 108.2(4) no
C(19) C(18) H(12) 108.0(6) no
C(19) C(18) H(13) 108.0(5) no
C(19) C(18) C(17) 115.2(4) yes
H(12) C(18) H(13) 109.5(6) no
H(12) C(18) C(17) 108.0(5) no
H(13) C(18) C(17) 108.0(5) no
C(20) C(19) H(14) 108.4(6) no
C(20) C(19) H(15) 108.4(6) no
C(20) C(19) C(18) 113.7(5) yes
H(14) C(19) H(15) 109.5(6) no
H(14) C(19) C(18) 108.4(6) no
H(15) C(19) C(18) 108.4(5) no
C(21) C(20) H(16) 108.0(9) no
C(21) C(20) H(17) 108.0(7) no
C(21) C(20) C(19) 115.5(6) yes
H(16) C(20) H(17) 109.5(9) no
H(16) C(20) C(19) 108.0(7) no
H(17) C(20) C(19) 108.0(8) no
H(18) C(21) H(19) 109.5(9) no
H(18) C(21) H(20) 109.5(9) no
H(18) C(21) C(20) 109.5(9) no
H(19) C(21) H(20) 109(1) no
H(19) C(21) C(20) 109.5(8) no
H(20) C(21) C(20) 109.5(8) no
C(23) C(22) H(21) 107.9(4) no
C(23) C(22) H(22) 107.9(4) no
C(23) C(22) C(13) 115.8(3) yes
H(21) C(22) H(22) 109.5(4) no
H(21) C(22) C(13) 107.9(4) no
H(22) C(22) C(13) 107.9(4) no
C(24) C(23) H(23) 108.1(5) no
C(24) C(23) H(24) 108.1(4) no
C(24) C(23) C(22) 114.9(3) yes
H(23) C(23) H(24) 109.5(5) no
H(23) C(23) C(22) 108.1(4) no
H(24) C(23) C(22) 108.1(5) no
C(25) C(24) H(25) 107.2(5) no
C(25) C(24) H(26) 107.2(5) no
C(25) C(24) C(23) 118.3(4) yes
H(25) C(24) H(26) 109.5(6) no
H(25) C(24) C(23) 107.2(5) no
H(26) C(24) C(23) 107.2(5) no
C(26) C(25) H(27) 108.1(6) no
C(26) C(25) H(28) 108.1(6) no
C(26) C(25) C(24) 114.8(4) yes
H(27) C(25) H(28) 109.5(7) no
H(27) C(25) C(24) 108.1(6) no
H(28) C(25) C(24) 108.1(7) no
C(27) C(26) H(29) 108.6(7) no
C(27) C(26) H(30) 108.6(7) no
C(27) C(26) C(25) 112.9(5) yes
H(29) C(26) H(30) 109.5(8) no
H(29) C(26) C(25) 108.6(7) no
H(30) C(26) C(25) 108.6(7) no
H(31) C(27) H(32) 109(1) no
H(31) C(27) H(33) 109.5(9) no
H(31) C(27) C(26) 110.5(7) no
H(32) C(27) H(33) 109.5(8) no
H(32) C(27) C(26) 108.4(7) no
H(33) C(27) C(26) 109.6(8) no
C(29) C(28) C(10) 176.3(3) yes
Ge(1) C(29) C(28) 176.5(3) yes
C(31) C(30) C(35) 117.0(4) yes
C(31) C(30) Ge(1) 120.9(3) yes
C(35) C(30) Ge(1) 122.1(3) yes
C(32) C(31) H(34) 119.3(6) no
C(32) C(31) C(30) 121.4(4) yes
H(34) C(31) C(30) 119.3(5) no
C(33) C(32) H(35) 119.9(7) no
C(33) C(32) C(31) 120.2(5) yes
H(35) C(32) C(31) 119.9(7) no
C(34) C(33) H(36) 120.1(8) no
C(34) C(33) C(32) 119.8(6) yes
H(36) C(33) C(32) 120.1(8) no
C(35) C(34) H(37) 119.9(8) no
C(35) C(34) C(33) 120.2(6) yes
H(37) C(34) C(33) 119.9(8) no
H(38) C(35) C(30) 119.3(5) no
H(38) C(35) C(34) 119.3(6) no
C(30) C(35) C(34) 121.4(5) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ge(1) C(29) 1.904(3) yes
Ge(1) C(30) 1.939(3) yes
C(1) C(2) 1.144(6) yes
C(1) H(1) 0.950(7) no
C(2) C(3) 1.447(5) yes
C(3) C(4) 1.383(5) yes
C(3) C(15) 1.389(5) yes
C(4) C(5) 1.377(5) yes
C(4) H(2) 0.950(5) no
C(5) C(6) 1.388(4) yes
C(5) H(3) 0.950(4) no
C(6) C(7) 1.466(4) yes
C(6) C(14) 1.396(4) yes
C(7) C(8) 1.388(4) yes
C(7) C(12) 1.396(4) yes
C(8) C(9) 1.376(5) yes
C(8) H(4) 0.950(4) no
C(9) C(10) 1.387(5) yes
C(9) H(5) 0.950(4) no
C(10) C(11) 1.401(4) yes
C(10) C(28) 1.442(5) yes
C(11) C(12) 1.379(4) yes
C(11) H(6) 0.950(4) no
C(12) C(13) 1.530(4) yes
C(13) C(14) 1.523(4) yes
C(13) C(16) 1.536(5) yes
C(13) C(22) 1.544(5) yes
C(14) C(15) 1.380(4) yes
C(15) H(7) 0.950(4) no
C(16) C(17) 1.506(5) yes
C(16) H(8) 0.950(4) no
C(16) H(9) 0.950(5) no
C(17) C(18) 1.517(6) yes
C(17) H(10) 0.950(5) no
C(17) H(11) 0.950(5) no
C(18) C(19) 1.510(7) yes
C(18) H(12) 0.950(6) no
C(18) H(13) 0.950(7) no
C(19) C(20) 1.505(8) yes
C(19) H(14) 0.950(7) no
C(19) H(15) 0.950(8) no
C(20) C(21) 1.44(1) yes
C(20) H(16) 0.95(1) no
C(20) H(17) 0.95(1) no
C(21) H(18) 0.95(1) no
C(21) H(19) 0.95(1) no
C(21) H(20) 0.95(1) no
C(22) C(23) 1.510(6) yes
C(22) H(21) 0.950(5) no
C(22) H(22) 0.950(5) no
C(23) C(24) 1.487(6) yes
C(23) H(23) 0.950(6) no
C(23) H(24) 0.950(6) no
C(24) C(25) 1.467(8) yes
C(24) H(25) 0.950(7) no
C(24) H(26) 0.950(7) no
C(25) C(26) 1.498(8) yes
C(25) H(27) 0.950(8) no
C(25) H(28) 0.950(7) no
C(26) C(27) 1.44(1) yes
C(26) H(29) 0.950(9) no
C(26) H(30) 0.950(9) no
C(27) H(31) 0.950(9) no
C(27) H(32) 0.95(1) no
C(27) H(33) 0.950(9) no
C(28) C(29) 1.191(5) yes
C(30) C(31) 1.366(6) yes
C(30) C(35) 1.367(6) yes
C(31) C(32) 1.390(7) yes
C(31) H(34) 0.950(7) no
C(32) C(33) 1.328(9) yes
C(32) H(35) 0.950(8) no
C(33) C(34) 1.36(1) yes
C(33) H(36) 0.950(9) no
C(34) C(35) 1.374(8) yes
C(34) H(37) 0.950(8) no
C(35) H(38) 0.950(7) no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Ge(1) C(28) 3.093(3) yes 55501
Ge(1) C(31) 2.888(5) yes 55501
Ge(1) C(35) 2.906(5) yes 55501
Ge(1) H(34) 2.947(5) no 55501
Ge(1) H(38) 2.976(4) no 55501
C(1) C(3) 2.591(6) yes 55501
C(1) C(4) 3.500(6) yes 55501
C(1) C(15) 3.502(6) yes 55501
C(1) H(2) 3.459(6) no 55501
C(1) H(4) 3.362(6) no 65501
C(1) H(7) 3.469(6) no 55501
C(2) C(4) 2.458(5) yes 55501
C(2) C(15) 2.458(5) yes 55501
C(2) H(1) 2.094(6) no 55501
C(2) H(2) 2.618(5) no 55501
C(2) H(4) 3.558(5) no 65501
C(2) H(7) 2.623(5) no 55501
C(2) H(35) 3.157(7) no 66501
C(3) C(1) 2.591(6) yes 55501
C(3) C(5) 2.406(5) yes 55501
C(3) C(6) 2.768(5) yes 55501
C(3) C(14) 2.402(5) yes 55501
C(3) H(1) 3.540(6) no 55501
C(3) H(2) 2.026(5) no 55501
C(3) H(3) 3.263(5) no 55501
C(3) H(7) 2.036(4) no 55501
C(3) H(35) 3.119(6) no 66501
C(4) C(1) 3.500(6) yes 55501
C(4) C(2) 2.458(5) yes 55501
C(4) C(6) 2.382(5) yes 55501
C(4) C(14) 2.765(4) yes 55501
C(4) C(15) 2.393(5) yes 55501
C(4) H(3) 2.032(5) no 55501
C(4) H(7) 3.251(5) no 55501
C(4) H(17) 3.512(7) no 56501
C(4) H(35) 3.417(6) no 66501
C(4) H(36) 3.367(7) no 66501
C(5) C(3) 2.406(5) yes 55501
C(5) C(7) 2.599(4) yes 55501
C(5) C(8) 3.288(5) yes 55501
C(5) C(14) 2.418(4) yes 55501
C(5) C(15) 2.780(4) yes 55501
C(5) H(2) 2.021(5) no 55501
C(5) H(4) 3.121(5) no 55501
C(5) H(36) 3.389(7) no 66501
C(6) C(3) 2.768(5) yes 55501
C(6) C(4) 2.382(5) yes 55501
C(6) C(8) 2.595(4) yes 55501
C(6) C(12) 2.326(4) yes 55501
C(6) C(13) 2.412(4) yes 55501
C(6) C(15) 2.396(4) yes 55501
C(6) C(16) 3.505(4) yes 55501
C(6) C(22) 3.501(4) yes 55501
C(6) H(2) 3.240(5) no 55501
C(6) H(3) 2.042(4) no 55501
C(6) H(4) 2.845(4) no 55501
C(6) H(7) 3.256(4) no 55501
C(6) H(10) 3.527(5) no 55501
C(6) H(11) 3.266(5) no 55501
C(6) H(23) 3.134(5) no 55501
C(7) C(5) 2.599(4) yes 55501
C(7) C(9) 2.377(4) yes 55501
C(7) C(10) 2.773(4) yes 55501
C(7) C(11) 2.408(4) yes 55501
C(7) C(13) 2.411(4) yes 55501
C(7) C(14) 2.319(4) yes 55501
C(7) C(16) 3.487(4) yes 55501
C(7) C(22) 3.523(4) yes 55501
C(7) H(3) 2.850(4) no 55501
C(7) H(4) 2.043(4) no 55501
C(7) H(5) 3.235(4) no 55501
C(7) H(6) 3.267(4) no 55501
C(7) H(10) 3.205(5) no 55501
C(7) H(23) 3.466(5) no 55501
C(7) H(24) 3.390(5) no 55501
C(8) C(5) 3.288(5) yes 55501
C(8) C(6) 2.595(4) yes 55501
C(8) C(10) 2.414(5) yes 55501
C(8) C(11) 2.797(4) yes 55501
C(8) C(12) 2.417(4) yes 55501
C(8) H(3) 3.123(5) no 55501
C(8) H(5) 2.017(5) no 55501
C(9) C(7) 2.377(4) yes 55501
C(9) C(11) 2.404(4) yes 55501
C(9) C(12) 2.756(4) yes 55501
C(9) C(28) 2.443(5) yes 55501
C(9) C(29) 3.504(5) yes 55501
C(9) H(4) 2.032(5) no 55501
C(9) H(6) 3.265(4) no 55501
C(10) C(7) 2.773(4) yes 55501
C(10) C(8) 2.414(5) yes 55501
C(10) C(12) 2.401(4) yes 55501
C(10) C(29) 2.632(5) yes 55501
C(10) H(4) 3.271(5) no 55501
C(10) H(5) 2.026(4) no 55501
C(10) H(6) 2.051(4) no 55501
C(11) C(7) 2.408(4) yes 55501
C(11) C(8) 2.797(4) yes 55501
C(11) C(9) 2.404(4) yes 55501
C(11) C(13) 2.625(4) yes 55501
C(11) C(16) 3.224(5) yes 55501
C(11) C(22) 3.269(4) yes 55501
C(11) C(28) 2.478(4) yes 55501
C(11) C(29) 3.588(5) yes 55501
C(11) H(5) 3.260(4) no 55501
C(11) H(9) 2.972(4) no 55501
C(11) H(10) 3.219(5) no 55501
C(11) H(21) 3.072(4) no 55501
C(11) H(24) 3.206(5) no 55501
C(12) C(6) 2.326(4) yes 55501
C(12) C(8) 2.417(4) yes 55501
C(12) C(9) 2.756(4) yes 55501
C(12) C(10) 2.401(4) yes 55501
C(12) C(14) 2.351(4) yes 55501
C(12) C(16) 2.530(4) yes 55501
C(12) C(17) 3.077(5) yes 55501
C(12) C(22) 2.556(4) yes 55501
C(12) C(23) 3.064(5) yes 55501
C(12) H(4) 3.277(4) no 55501
C(12) H(6) 2.031(4) no 55501
C(12) H(8) 3.331(4) no 55501
C(12) H(9) 2.700(4) no 55501
C(12) H(10) 2.732(5) no 55501
C(12) H(11) 3.370(5) no 55501
C(12) H(21) 2.767(4) no 55501
C(12) H(22) 3.351(4) no 55501
C(12) H(23) 3.213(5) no 55501
C(12) H(24) 2.792(5) no 55501
C(13) C(6) 2.412(4) yes 55501
C(13) C(7) 2.411(4) yes 55501
C(13) C(11) 2.625(4) yes 55501
C(13) C(15) 2.622(5) yes 55501
C(13) C(17) 2.580(5) yes 55501
C(13) C(22) 1.544(5) yes 55501
C(13) C(23) 2.588(5) yes 55501
C(13) H(6) 2.842(5) no 55501
C(13) H(7) 2.836(5) no 55501
C(13) H(8) 2.038(5) no 55501
C(13) H(9) 2.038(5) no 55501
C(13) H(10) 2.749(5) no 55501
C(13) H(11) 2.759(5) no 55501
C(13) H(21) 2.046(5) no 55501
C(13) H(22) 2.046(4) no 55501
C(13) H(23) 2.703(6) no 55501
C(13) H(24) 2.814(5) no 55501
C(14) C(3) 2.402(5) yes 55501
C(14) C(4) 2.765(4) yes 55501
C(14) C(5) 2.418(4) yes 55501
C(14) C(7) 2.319(4) yes 55501
C(14) C(12) 2.351(4) yes 55501
C(14) C(16) 2.537(5) yes 55501
C(14) C(17) 3.029(5) yes 55501
C(14) C(22) 2.524(4) yes 55501
C(14) C(23) 3.050(5) yes 55501
C(14) H(3) 3.277(4) no 55501
C(14) H(7) 2.027(4) no 55501
C(14) H(8) 2.762(4) no 55501
C(14) H(9) 3.332(5) no 55501
C(14) H(10) 3.264(5) no 55501
C(14) H(11) 2.695(5) no 55501
C(14) H(21) 3.326(5) no 55501
C(14) H(22) 2.709(4) no 55501
C(14) H(23) 2.652(5) no 55501
C(14) H(24) 3.419(5) no 55501
C(15) C(1) 3.502(6) yes 55501
C(15) C(2) 2.458(5) yes 55501
C(15) C(4) 2.393(5) yes 55501
C(15) C(5) 2.780(4) yes 55501
C(15) C(6) 2.396(4) yes 55501
C(15) C(13) 2.622(5) yes 55501
C(15) C(16) 3.243(5) yes 55501
C(15) C(22) 3.227(5) yes 55501
C(15) H(2) 3.249(5) no 55501
C(15) H(5) 3.317(4) no 65501
C(15) H(8) 3.062(5) no 55501
C(15) H(11) 3.093(5) no 55501
C(15) H(22) 2.993(5) no 55501
C(15) H(23) 3.171(5) no 55501
C(16) C(6) 3.505(4) yes 55501
C(16) C(7) 3.487(4) yes 55501
C(16) C(11) 3.224(5) yes 55501
C(16) C(12) 2.530(4) yes 55501
C(16) C(14) 2.537(5) yes 55501
C(16) C(15) 3.243(5) yes 55501
C(16) C(18) 2.541(6) yes 55501
C(16) C(22) 2.512(5) yes 55501
C(16) H(5) 3.501(4) no 65501
C(16) H(6) 3.171(5) no 55501
C(16) H(7) 3.173(5) no 55501
C(16) H(10) 2.016(5) no 55501
C(16) H(11) 2.016(5) no 55501
C(16) H(12) 2.673(6) no 55501
C(16) H(13) 2.749(6) no 55501
C(16) H(21) 2.647(5) no 55501
C(16) H(22) 2.668(5) no 55501
C(17) C(12) 3.077(5) yes 55501
C(17) C(13) 2.580(5) yes 55501
C(17) C(14) 3.029(5) yes 55501
C(17) C(19) 2.556(7) yes 55501
C(17) H(8) 2.011(5) no 55501
C(17) H(9) 2.011(5) no 55501
C(17) H(12) 2.024(6) no 55501
C(17) H(13) 2.024(6) no 55501
C(17) H(14) 2.716(6) no 55501
C(17) H(15) 2.750(7) no 55501
C(18) C(16) 2.541(6) yes 55501
C(18) C(20) 2.524(9) yes 55501
C(18) H(8) 2.709(6) no 55501
C(18) H(9) 2.699(6) no 55501
C(18) H(10) 2.026(6) no 55501
C(18) H(11) 2.026(6) no 55501
C(18) H(14) 2.022(7) no 55501
C(18) H(15) 2.022(8) no 55501
C(18) H(16) 2.657(9) no 55501
C(18) H(17) 2.721(8) no 55501
C(19) C(17) 2.556(7) yes 55501
C(19) C(21) 2.486(9) yes 55501
C(19) H(10) 2.769(7) no 55501
C(19) H(11) 2.694(6) no 55501
C(19) H(12) 2.018(7) no 55501
C(19) H(13) 2.018(8) no 55501
C(19) H(16) 2.012(9) no 55501
C(19) H(17) 2.012(8) no 55501
C(19) H(18) 2.693(9) no 55501
C(19) H(19) 2.67(1) no 55501
C(19) H(20) 3.292(9) no 55501
C(20) C(18) 2.524(9) yes 55501
C(20) H(12) 2.709(8) no 55501
C(20) H(13) 2.673(9) no 55501
C(20) H(14) 2.018(9) no 55501
C(20) H(15) 2.018(8) no 55501
C(20) H(18) 1.97(1) no 55501
C(20) H(19) 1.97(1) no 55501
C(20) H(20) 1.97(1) no 55501
C(21) C(19) 2.486(9) yes 55501
C(21) H(14) 2.708(9) no 55501
C(21) H(15) 2.648(9) no 55501
C(21) H(16) 1.95(1) no 55501
C(21) H(17) 1.95(1) no 55501
C(22) C(6) 3.501(4) yes 55501
C(22) C(7) 3.523(4) yes 55501
C(22) C(11) 3.269(4) yes 55501
C(22) C(12) 2.556(4) yes 55501
C(22) C(13) 1.544(5) yes 55501
C(22) C(14) 2.524(4) yes 55501
C(22) C(15) 3.227(5) yes 55501
C(22) C(16) 2.512(5) yes 55501
C(22) C(24) 2.526(6) yes 55501
C(22) H(6) 3.195(5) no 55501
C(22) H(7) 3.158(5) no 55501
C(22) H(8) 2.623(5) no 55501
C(22) H(9) 2.686(5) no 55501
C(22) H(23) 2.018(6) no 55501
C(22) H(24) 2.018(6) no 55501
C(22) H(25) 2.640(6) no 55501
C(22) H(26) 2.724(6) no 55501
C(23) C(12) 3.064(5) yes 55501
C(23) C(13) 2.588(5) yes 55501
C(23) C(14) 3.050(5) yes 55501
C(23) C(25) 2.537(7) yes 55501
C(23) H(21) 2.016(6) no 55501
C(23) H(22) 2.016(6) no 55501
C(23) H(25) 1.987(6) no 55501
C(23) H(26) 1.987(6) no 55501
C(23) H(27) 2.700(8) no 55501
C(23) H(28) 2.746(7) no 55501
C(24) C(22) 2.526(6) yes 55501
C(24) C(26) 2.498(8) yes 55501
C(24) H(21) 2.754(6) no 55501
C(24) H(22) 2.644(6) no 55501
C(24) H(23) 1.998(6) no 55501
C(24) H(24) 1.998(6) no 55501
C(24) H(27) 1.980(8) no 55501
C(24) H(28) 1.980(7) no 55501
C(24) H(29) 2.628(8) no 55501
C(24) H(30) 2.746(8) no 55501
C(25) C(23) 2.537(7) yes 55501
C(25) C(27) 2.446(9) yes 55501
C(25) H(23) 2.766(7) no 55501
C(25) H(24) 2.688(7) no 55501
C(25) H(25) 1.970(8) no 55501
C(25) H(26) 1.970(7) no 55501
C(25) H(29) 2.013(8) no 55501
C(25) H(30) 2.013(8) no 55501
C(25) H(31) 3.269(9) no 55501
C(25) H(32) 2.62(1) no 55501
C(25) H(33) 2.626(9) no 55501
C(26) C(24) 2.498(8) yes 55501
C(26) H(25) 2.678(8) no 55501
C(26) H(26) 2.630(8) no 55501
C(26) H(27) 2.008(8) no 55501
C(26) H(28) 2.008(8) no 55501
C(26) H(31) 1.981(9) no 55501
C(26) H(32) 1.96(1) no 55501
C(26) H(33) 1.970(9) no 55501
C(27) C(25) 2.446(9) yes 55501
C(27) H(15) 3.465(9) no 56504
C(27) H(19) 3.28(1) no 56504
C(27) H(27) 2.684(8) no 55501
C(27) H(28) 2.564(9) no 55501
C(27) H(29) 1.96(1) no 55501
C(27) H(30) 1.960(9) no 55501
C(28) Ge(1) 3.093(3) yes 55501
C(28) C(9) 2.443(5) yes 55501
C(28) C(11) 2.478(4) yes 55501
C(28) H(5) 2.594(5) no 55501
C(28) H(6) 2.661(4) no 55501
C(29) C(9) 3.504(5) yes 55501
C(29) C(10) 2.632(5) yes 55501
C(29) C(11) 3.588(5) yes 55501
C(29) C(30) 3.158(5) yes 55501
C(29) C(31) 3.585(6) yes 55501
C(29) H(5) 3.428(5) no 55501
C(29) H(6) 3.585(4) no 55501
C(29) H(34) 3.255(6) no 55501
C(30) C(29) 3.158(5) yes 55501
C(30) C(32) 2.403(6) yes 55501
C(30) C(33) 2.769(7) yes 55501
C(30) C(34) 2.390(7) yes 55501
C(30) H(34) 2.009(6) no 55501
C(30) H(35) 3.254(6) no 55501
C(30) H(37) 3.242(7) no 55501
C(30) H(38) 2.010(6) no 55501
C(31) Ge(1) 2.888(5) yes 55501
C(31) C(29) 3.585(6) yes 55501
C(31) C(33) 2.357(8) yes 55501
C(31) C(34) 2.704(8) yes 55501
C(31) C(35) 2.330(7) yes 55501
C(31) H(35) 2.038(7) no 55501
C(31) H(36) 3.220(8) no 55501
C(31) H(38) 3.193(7) no 55501
C(32) C(30) 2.403(6) yes 55501
C(32) C(34) 2.326(9) yes 55501
C(32) C(35) 2.711(8) yes 55501
C(32) H(34) 2.032(7) no 55501
C(32) H(36) 1.983(9) no 55501
C(32) H(37) 3.182(9) no 55501
C(33) C(30) 2.769(7) yes 55501
C(33) C(31) 2.357(8) yes 55501
C(33) C(35) 2.369(8) yes 55501
C(33) H(34) 3.206(8) no 55501
C(33) H(35) 1.981(9) no 55501
C(33) H(37) 2.01(1) no 55501
C(33) H(38) 3.221(8) no 55501
C(34) C(30) 2.390(7) yes 55501
C(34) C(31) 2.704(8) yes 55501
C(34) C(32) 2.326(9) yes 55501
C(34) H(35) 3.186(9) no 55501
C(34) H(36) 2.01(1) no 55501
C(34) H(38) 2.016(9) no 55501
C(35) Ge(1) 2.906(5) yes 55501
C(35) C(31) 2.330(7) yes 55501
C(35) C(32) 2.711(8) yes 55501
C(35) C(33) 2.369(8) yes 55501
C(35) H(34) 3.193(7) no 55501
C(35) H(36) 3.228(8) no 55501
C(35) H(37) 2.023(8) no 55501
H(1) C(2) 2.094(6) no 55501
H(1) C(3) 3.540(6) no 55501
H(2) C(1) 3.459(6) no 55501
H(2) C(2) 2.618(5) no 55501
H(2) C(3) 2.026(5) no 55501
H(2) C(5) 2.021(5) no 55501
H(2) C(6) 3.240(5) no 55501
H(2) C(15) 3.249(5) no 55501
H(2) C(20) 3.591(7) no 56501
H(3) C(3) 3.263(5) no 55501
H(3) C(4) 2.032(5) no 55501
H(3) C(6) 2.042(4) no 55501
H(3) C(7) 2.850(4) no 55501
H(3) C(8) 3.123(5) no 55501
H(3) C(14) 3.277(4) no 55501
H(4) C(5) 3.121(5) no 55501
H(4) C(6) 2.845(4) no 55501
H(4) C(7) 2.043(4) no 55501
H(4) C(9) 2.032(5) no 55501
H(4) C(10) 3.271(5) no 55501
H(4) C(12) 3.277(4) no 55501
H(5) C(7) 3.235(4) no 55501
H(5) C(8) 2.017(5) no 55501
H(5) C(10) 2.026(4) no 55501
H(5) C(11) 3.260(4) no 55501
H(5) C(28) 2.594(5) no 55501
H(5) C(29) 3.428(5) no 55501
H(6) C(7) 3.267(4) no 55501
H(6) C(9) 3.265(4) no 55501
H(6) C(10) 2.051(4) no 55501
H(6) C(12) 2.031(4) no 55501
H(6) C(13) 2.842(5) no 55501
H(6) C(16) 3.171(5) no 55501
H(6) C(22) 3.195(5) no 55501
H(6) C(28) 2.661(4) no 55501
H(6) C(29) 3.585(4) no 55501
H(7) C(1) 3.469(6) no 55501
H(7) C(2) 2.623(5) no 55501
H(7) C(3) 2.036(4) no 55501
H(7) C(4) 3.251(5) no 55501
H(7) C(6) 3.256(4) no 55501
H(7) C(8) 3.550(4) no 65501
H(7) C(9) 3.192(4) no 65501
H(7) C(13) 2.836(5) no 55501
H(7) C(14) 2.027(4) no 55501
H(7) C(16) 3.173(5) no 55501
H(7) C(22) 3.158(5) no 55501
H(8) C(9) 3.459(4) no 65501
H(8) C(12) 3.331(4) no 55501
H(8) C(13) 2.038(5) no 55501
H(8) C(14) 2.762(4) no 55501
H(8) C(15) 3.062(5) no 55501
H(8) C(17) 2.011(5) no 55501
H(8) C(18) 2.709(6) no 55501
H(8) C(22) 2.623(5) no 55501
H(8) C(28) 3.499(4) no 65501
H(8) C(29) 3.479(4) no 65501
H(9) C(11) 2.972(4) no 55501
H(9) C(12) 2.700(4) no 55501
H(9) C(13) 2.038(5) no 55501
H(9) C(14) 3.332(5) no 55501
H(9) C(17) 2.011(5) no 55501
H(9) C(18) 2.699(6) no 55501
H(9) C(22) 2.686(5) no 55501
H(9) C(30) 3.346(5) no 65501
H(9) C(35) 3.327(7) no 65501
H(10) C(6) 3.527(5) no 55501
H(10) C(7) 3.205(5) no 55501
H(10) C(11) 3.219(5) no 55501
H(10) C(12) 2.732(5) no 55501
H(10) C(13) 2.749(5) no 55501
H(10) C(14) 3.264(5) no 55501
H(10) C(16) 2.016(5) no 55501
H(10) C(18) 2.026(6) no 55501
H(10) C(19) 2.769(7) no 55501
H(11) C(6) 3.266(5) no 55501
H(11) C(12) 3.370(5) no 55501
H(11) C(13) 2.759(5) no 55501
H(11) C(14) 2.695(5) no 55501
H(11) C(15) 3.093(5) no 55501
H(11) C(16) 2.016(5) no 55501
H(11) C(18) 2.026(6) no 55501
H(11) C(19) 2.694(6) no 55501
H(12) C(16) 2.673(6) no 55501
H(12) C(17) 2.024(6) no 55501
H(12) C(19) 2.018(7) no 55501
H(12) C(20) 2.709(8) no 55501
H(13) C(16) 2.749(6) no 55501
H(13) C(17) 2.024(6) no 55501
H(13) C(19) 2.018(8) no 55501
H(13) C(20) 2.673(9) no 55501
H(13) C(31) 3.277(6) no 65501
H(13) C(32) 3.048(7) no 65501
H(13) C(33) 3.258(8) no 65501
H(14) C(17) 2.716(6) no 55501
H(14) C(18) 2.022(7) no 55501
H(14) C(20) 2.018(9) no 55501
H(14) C(21) 2.708(9) no 55501
H(15) C(17) 2.750(7) no 55501
H(15) C(18) 2.022(8) no 55501
H(15) C(20) 2.018(8) no 55501
H(15) C(21) 2.648(9) no 55501
H(16) C(18) 2.657(9) no 55501
H(16) C(19) 2.012(9) no 55501
H(16) C(21) 1.95(1) no 55501
H(17) C(18) 2.721(8) no 55501
H(17) C(19) 2.012(8) no 55501
H(17) C(21) 1.95(1) no 55501
H(17) C(32) 3.591(9) no 65501
H(18) C(19) 2.693(9) no 55501
H(18) C(20) 1.97(1) no 55501
H(19) C(19) 2.67(1) no 55501
H(19) C(20) 1.97(1) no 55501
H(20) C(19) 3.292(9) no 55501
H(20) C(20) 1.97(1) no 55501
H(21) C(11) 3.072(4) no 55501
H(21) C(12) 2.767(4) no 55501
H(21) C(13) 2.046(5) no 55501
H(21) C(14) 3.326(5) no 55501
H(21) C(16) 2.647(5) no 55501
H(21) C(23) 2.016(6) no 55501
H(21) C(24) 2.754(6) no 55501
H(22) C(12) 3.351(4) no 55501
H(22) C(13) 2.046(4) no 55501
H(22) C(14) 2.709(4) no 55501
H(22) C(15) 2.993(5) no 55501
H(22) C(16) 2.668(5) no 55501
H(22) C(23) 2.016(6) no 55501
H(22) C(24) 2.644(6) no 55501
H(23) C(6) 3.134(5) no 55501
H(23) C(7) 3.466(5) no 55501
H(23) C(12) 3.213(5) no 55501
H(23) C(13) 2.703(6) no 55501
H(23) C(14) 2.652(5) no 55501
H(23) C(15) 3.171(5) no 55501
H(23) C(22) 2.018(6) no 55501
H(23) C(24) 1.998(6) no 55501
H(23) C(25) 2.766(7) no 55501
H(23) C(33) 3.552(8) no 66501
H(24) C(7) 3.390(5) no 55501
H(24) C(11) 3.206(5) no 55501
H(24) C(12) 2.792(5) no 55501
H(24) C(13) 2.814(5) no 55501
H(24) C(14) 3.419(5) no 55501
H(24) C(22) 2.018(6) no 55501
H(24) C(24) 1.998(6) no 55501
H(24) C(25) 2.688(7) no 55501
H(25) C(22) 2.640(6) no 55501
H(25) C(23) 1.987(6) no 55501
H(25) C(25) 1.970(8) no 55501
H(25) C(26) 2.678(8) no 55501
H(26) C(22) 2.724(6) no 55501
H(26) C(23) 1.987(6) no 55501
H(26) C(25) 1.970(7) no 55501
H(26) C(26) 2.630(8) no 55501
H(27) C(23) 2.700(8) no 55501
H(27) C(24) 1.980(8) no 55501
H(27) C(26) 2.008(8) no 55501
H(27) C(27) 2.684(8) no 55501
H(27) C(33) 3.523(8) no 66501
H(27) C(34) 3.316(9) no 66501
H(27) C(35) 3.559(8) no 66501
H(28) C(23) 2.746(7) no 55501
H(28) C(24) 1.980(7) no 55501
H(28) C(26) 2.008(8) no 55501
H(28) C(27) 2.564(9) no 55501
H(29) C(24) 2.628(8) no 55501
H(29) C(25) 2.013(8) no 55501
H(29) C(27) 1.96(1) no 55501
H(30) C(24) 2.746(8) no 55501
H(30) C(25) 2.013(8) no 55501
H(30) C(27) 1.960(9) no 55501
H(31) C(25) 3.269(9) no 55501
H(31) C(26) 1.981(9) no 55501
H(32) C(25) 2.62(1) no 55501
H(32) C(26) 1.96(1) no 55501
H(33) C(25) 2.626(9) no 55501
H(33) C(26) 1.970(9) no 55501
H(34) Ge(1) 2.947(5) no 55501
H(34) C(29) 3.255(6) no 55501
H(34) C(30) 2.009(6) no 55501
H(34) C(32) 2.032(7) no 55501
H(34) C(33) 3.206(8) no 55501
H(34) C(35) 3.193(7) no 55501
H(35) C(30) 3.254(6) no 55501
H(35) C(31) 2.038(7) no 55501
H(35) C(33) 1.981(9) no 55501
H(35) C(34) 3.186(9) no 55501
H(36) C(31) 3.220(8) no 55501
H(36) C(32) 1.983(9) no 55501
H(36) C(34) 2.01(1) no 55501
H(36) C(35) 3.228(8) no 55501
H(37) C(30) 3.242(7) no 55501
H(37) C(32) 3.182(9) no 55501
H(37) C(33) 2.01(1) no 55501
H(37) C(35) 2.023(8) no 55501
H(38) Ge(1) 2.976(4) no 55501
H(38) C(30) 2.010(6) no 55501
H(38) C(31) 3.193(7) no 55501
H(38) C(33) 3.221(8) no 55501
H(38) C(34) 2.016(9) no 55501
