# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Octaphenylgerma(4)pericycl

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C56 H40 Ge4'
_chemical_formula_moiety         'C56 H40 Ge4'
_chemical_formula_weight         1003.29
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 1/2+X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   11.7516(3)
_cell_length_b                   9.32888(17)
_cell_length_c                   24.4431(5)
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.0009(7)
_cell_angle_gamma                90.0000
_cell_volume                     2659.70(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    38130
_cell_measurement_theta_min      3.15
_cell_measurement_theta_max      27.48
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.050
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1008.00
_exptl_absorpt_coefficient_mu    2.269
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_T_max  0.893

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            44425
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             6093
_reflns_number_gt                5602
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0379
_refine_ls_wR_factor_ref         0.1088
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         6093
_refine_ls_number_parameters     271
_refine_ls_goodness_of_fit_ref   1.170
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0651P)²+1.5347P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.030
_refine_diff_density_min         -0.600
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ge Ge 0.1547 1.8001
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.278245(19) 0.24753(2) 0.473030(10) 0.01980(9) Uani 1.0 4 d . . .
Ge2 Ge 0.52113(2) 0.52107(3) 0.356729(9) 0.02088(9) Uani 1.0 4 d . . .
C1 C 0.34588(19) 0.3321(3) 0.54033(10) 0.0233(5) Uani 1.0 4 d . . .
C2 C 0.35145(19) 0.3449(3) 0.41777(9) 0.0226(5) Uani 1.0 4 d . . .
C3 C 0.40779(19) 0.4136(3) 0.38888(9) 0.0228(5) Uani 1.0 4 d . . .
C4 C 0.60476(19) 0.6158(3) 0.41767(10) 0.0239(5) Uani 1.0 4 d . . .
C5 C 0.0736(3) 0.4108(4) 0.43499(13) 0.0394(7) Uani 1.0 4 d . . .
C6 C -0.0434(3) 0.4402(4) 0.42977(16) 0.0499(9) Uani 1.0 4 d . . .
C7 C -0.1185(3) 0.3469(4) 0.44964(16) 0.0478(8) Uani 1.0 4 d . . .
C8 C -0.0769(3) 0.2244(4) 0.4767(3) 0.0640(13) Uani 1.0 4 d . . .
C9 C 0.0399(3) 0.1953(4) 0.48286(17) 0.0510(9) Uani 1.0 4 d . . .
C10 C 0.11606(19) 0.2862(3) 0.46114(10) 0.0256(5) Uani 1.0 4 d . . .
C11 C 0.31536(19) 0.0454(3) 0.47665(10) 0.0232(5) Uani 1.0 4 d . . .
C12 C 0.3619(3) -0.0149(3) 0.52654(12) 0.0298(6) Uani 1.0 4 d . . .
C13 C 0.3873(3) -0.1603(3) 0.53033(13) 0.0356(6) Uani 1.0 4 d . . .
C14 C 0.3663(3) -0.2468(3) 0.48436(14) 0.0366(7) Uani 1.0 4 d . . .
C15 C 0.3199(3) -0.1888(3) 0.43473(13) 0.0404(7) Uani 1.0 4 d . . .
C16 C 0.2943(3) -0.0429(3) 0.43075(11) 0.0334(6) Uani 1.0 4 d . . .
C17 C 0.4532(2) 0.6608(3) 0.30378(9) 0.0244(5) Uani 1.0 4 d . . .
C18 C 0.4603(3) 0.8071(3) 0.31446(11) 0.0321(6) Uani 1.0 4 d . . .
C19 C 0.4086(3) 0.9049(3) 0.27591(12) 0.0373(6) Uani 1.0 4 d . . .
C20 C 0.3504(3) 0.8578(4) 0.22670(12) 0.0394(7) Uani 1.0 4 d . . .
C21 C 0.3434(4) 0.7137(4) 0.21576(13) 0.0506(9) Uani 1.0 4 d . . .
C22 C 0.3946(3) 0.6145(4) 0.25437(12) 0.0406(7) Uani 1.0 4 d . . .
C23 C 0.6223(2) 0.3862(3) 0.32670(9) 0.0261(5) Uani 1.0 4 d . . .
C24 C 0.5923(3) 0.2446(4) 0.31785(16) 0.0462(8) Uani 1.0 4 d . . .
C25 C 0.6687(4) 0.1493(4) 0.2982(2) 0.0666(12) Uani 1.0 4 d . . .
C26 C 0.7751(4) 0.1958(5) 0.28723(16) 0.0542(9) Uani 1.0 4 d . . .
C27 C 0.8067(3) 0.3335(4) 0.29706(14) 0.0487(8) Uani 1.0 4 d . . .
C28 C 0.7303(3) 0.4299(4) 0.31642(13) 0.0407(7) Uani 1.0 4 d . . .
H5 H 0.1245 0.4760 0.4206 0.0473 Uiso 1.0 4 calc R . .
H6 H -0.0715 0.5262 0.4122 0.0599 Uiso 1.0 4 calc R . .
H7 H -0.1984 0.3664 0.4448 0.0574 Uiso 1.0 4 calc R . .
H8 H -0.1282 0.1599 0.4912 0.0768 Uiso 1.0 4 calc R . .
H9 H 0.0679 0.1118 0.5023 0.0612 Uiso 1.0 4 calc R . .
H12 H 0.3764 0.0440 0.5583 0.0358 Uiso 1.0 4 calc R . .
H13 H 0.4192 -0.2001 0.5646 0.0427 Uiso 1.0 4 calc R . .
H14 H 0.3838 -0.3462 0.4869 0.0439 Uiso 1.0 4 calc R . .
H15 H 0.3054 -0.2484 0.4031 0.0485 Uiso 1.0 4 calc R . .
H16 H 0.2622 -0.0036 0.3964 0.0401 Uiso 1.0 4 calc R . .
H18 H 0.5005 0.8407 0.3481 0.0385 Uiso 1.0 4 calc R . .
H19 H 0.4134 1.0047 0.2836 0.0448 Uiso 1.0 4 calc R . .
H20 H 0.3155 0.9248 0.2006 0.0472 Uiso 1.0 4 calc R . .
H21 H 0.3037 0.6808 0.1819 0.0607 Uiso 1.0 4 calc R . .
H22 H 0.3890 0.5148 0.2465 0.0487 Uiso 1.0 4 calc R . .
H24 H 0.5191 0.2120 0.3252 0.0555 Uiso 1.0 4 calc R . .
H25 H 0.6476 0.0517 0.2922 0.0799 Uiso 1.0 4 calc R . .
H26 H 0.8262 0.1309 0.2728 0.0650 Uiso 1.0 4 calc R . .
H27 H 0.8810 0.3646 0.2908 0.0584 Uiso 1.0 4 calc R . .
H28 H 0.7527 0.5270 0.3226 0.0489 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ge1 C1 1.908(3) yes . .
Ge1 C2 1.916(3) yes . .
Ge1 C10 1.927(3) yes . .
Ge1 C11 1.935(3) yes . .
Ge2 C3 1.911(3) yes . .
Ge2 C4 1.900(3) yes . .
Ge2 C17 1.939(3) yes . .
Ge2 C23 1.936(3) yes . .
C1 C4 1.217(4) yes . 3_666
C2 C3 1.209(4) yes . .
C5 C6 1.393(4) yes . .
C5 C10 1.390(4) yes . .
C6 C7 1.370(5) yes . .
C7 C8 1.380(6) yes . .
C8 C9 1.389(5) yes . .
C9 C10 1.385(5) yes . .
C11 C12 1.393(4) yes . .
C11 C16 1.389(4) yes . .
C12 C13 1.389(4) yes . .
C13 C14 1.381(5) yes . .
C14 C15 1.378(5) yes . .
C15 C16 1.395(4) yes . .
C17 C18 1.391(4) yes . .
C17 C22 1.385(4) yes . .
C18 C19 1.396(4) yes . .
C19 C20 1.381(4) yes . .
C20 C21 1.371(5) yes . .
C21 C22 1.404(5) yes . .
C23 C24 1.377(4) yes . .
C23 C28 1.385(4) yes . .
C24 C25 1.391(6) yes . .
C25 C26 1.380(6) yes . .
C26 C27 1.351(6) yes . .
C27 C28 1.394(5) yes . .
C5 H5 0.950 no . .
C6 H6 0.950 no . .
C7 H7 0.950 no . .
C8 H8 0.950 no . .
C9 H9 0.950 no . .
C12 H12 0.950 no . .
C13 H13 0.950 no . .
C14 H14 0.950 no . .
C15 H15 0.950 no . .
C16 H16 0.950 no . .
C18 H18 0.950 no . .
C19 H19 0.950 no . .
C20 H20 0.950 no . .
C21 H21 0.950 no . .
C22 H22 0.950 no . .
C24 H24 0.950 no . .
C25 H25 0.950 no . .
C26 H26 0.950 no . .
C27 H27 0.950 no . .
C28 H28 0.950 no . .

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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
C1 Ge1 C2 103.66(10) yes . . .
C1 Ge1 C10 110.68(11) yes . . .
C1 Ge1 C11 107.19(10) yes . . .
C2 Ge1 C10 109.02(10) yes . . .
C2 Ge1 C11 112.08(11) yes . . .
C10 Ge1 C11 113.73(10) yes . . .
C3 Ge2 C4 103.97(10) yes . . .
C3 Ge2 C17 112.10(10) yes . . .
C3 Ge2 C23 107.83(11) yes . . .
C4 Ge2 C17 110.02(10) yes . . .
C4 Ge2 C23 108.45(10) yes . . .
C17 Ge2 C23 113.94(10) yes . . .
Ge1 C1 C4 176.2(3) yes . . 3_666
Ge1 C2 C3 171.00(19) yes . . .
Ge2 C3 C2 167.70(19) yes . . .
Ge2 C4 C1 174.3(3) yes . . 3_666
C6 C5 C10 120.2(3) yes . . .
C5 C6 C7 120.9(3) yes . . .
C6 C7 C8 119.4(3) yes . . .
C7 C8 C9 120.1(4) yes . . .
C8 C9 C10 121.0(4) yes . . .
Ge1 C10 C5 121.27(19) yes . . .
Ge1 C10 C9 120.1(2) yes . . .
C5 C10 C9 118.4(3) yes . . .
Ge1 C11 C12 119.72(19) yes . . .
Ge1 C11 C16 121.58(18) yes . . .
C12 C11 C16 118.7(3) yes . . .
C11 C12 C13 120.7(3) yes . . .
C12 C13 C14 120.0(3) yes . . .
C13 C14 C15 119.9(3) yes . . .
C14 C15 C16 120.2(3) yes . . .
C11 C16 C15 120.4(3) yes . . .
Ge2 C17 C18 121.62(17) yes . . .
Ge2 C17 C22 119.5(2) yes . . .
C18 C17 C22 118.8(3) yes . . .
C17 C18 C19 120.2(3) yes . . .
C18 C19 C20 120.5(3) yes . . .
C19 C20 C21 119.6(3) yes . . .
C20 C21 C22 120.3(3) yes . . .
C17 C22 C21 120.5(3) yes . . .
Ge2 C23 C24 121.7(3) yes . . .
Ge2 C23 C28 119.7(2) yes . . .
C24 C23 C28 118.5(3) yes . . .
C23 C24 C25 120.2(4) yes . . .
C24 C25 C26 120.3(4) yes . . .
C25 C26 C27 120.0(4) yes . . .
C26 C27 C28 120.0(4) yes . . .
C23 C28 C27 120.9(3) yes . . .
C6 C5 H5 119.916 no . . .
C10 C5 H5 119.924 no . . .
C5 C6 H6 119.546 no . . .
C7 C6 H6 119.548 no . . .
C6 C7 H7 120.313 no . . .
C8 C7 H7 120.313 no . . .
C7 C8 H8 119.965 no . . .
C9 C8 H8 119.966 no . . .
C8 C9 H9 119.484 no . . .
C10 C9 H9 119.479 no . . .
C11 C12 H12 119.641 no . . .
C13 C12 H12 119.640 no . . .
C12 C13 H13 119.977 no . . .
C14 C13 H13 119.988 no . . .
C13 C14 H14 120.028 no . . .
C15 C14 H14 120.047 no . . .
C14 C15 H15 119.894 no . . .
C16 C15 H15 119.890 no . . .
C11 C16 H16 119.792 no . . .
C15 C16 H16 119.794 no . . .
C17 C18 H18 119.886 no . . .
C19 C18 H18 119.882 no . . .
C18 C19 H19 119.733 no . . .
C20 C19 H19 119.724 no . . .
C19 C20 H20 120.213 no . . .
C21 C20 H20 120.194 no . . .
C20 C21 H21 119.852 no . . .
C22 C21 H21 119.846 no . . .
C17 C22 H22 119.747 no . . .
C21 C22 H22 119.763 no . . .
C23 C24 H24 119.875 no . . .
C25 C24 H24 119.886 no . . .
C24 C25 H25 119.853 no . . .
C26 C25 H25 119.859 no . . .
C25 C26 H26 119.983 no . . .
C27 C26 H26 119.988 no . . .
C26 C27 H27 120.001 no . . .
C28 C27 H27 119.996 no . . .
C23 C28 H28 119.544 no . . .
C27 C28 H28 119.539 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 Ge1 C10 C5 86.85(19) no . . . .
C1 Ge1 C10 C9 -87.59(19) no . . . .
C1 Ge1 C11 C12 11.76(19) no . . . .
C1 Ge1 C11 C16 -169.75(16) no . . . .
C2 Ge1 C10 C5 -26.6(2) no . . . .
C2 Ge1 C10 C9 159.00(16) no . . . .
C2 Ge1 C11 C12 124.86(16) no . . . .
C2 Ge1 C11 C16 -56.65(19) no . . . .
C10 Ge1 C11 C12 -110.91(16) no . . . .
C10 Ge1 C11 C16 67.6(2) no . . . .
C11 Ge1 C10 C5 -152.43(16) no . . . .
C11 Ge1 C10 C9 33.1(2) no . . . .
C3 Ge2 C17 C18 109.97(17) no . . . .
C3 Ge2 C17 C22 -69.07(19) no . . . .
C3 Ge2 C23 C24 16.37(18) no . . . .
C3 Ge2 C23 C28 -160.13(14) no . . . .
C4 Ge2 C17 C18 -5.2(2) no . . . .
C4 Ge2 C17 C22 175.76(16) no . . . .
C4 Ge2 C23 C24 128.37(16) no . . . .
C4 Ge2 C23 C28 -48.13(18) no . . . .
C17 Ge2 C23 C24 -108.74(16) no . . . .
C17 Ge2 C23 C28 74.76(17) no . . . .
C23 Ge2 C17 C18 -127.22(17) no . . . .
C23 Ge2 C17 C22 53.7(2) no . . . .
C6 C5 C10 Ge1 -176.2(3) no . . . .
C6 C5 C10 C9 -1.7(5) no . . . .
C10 C5 C6 C7 -0.7(5) no . . . .
C5 C6 C7 C8 2.1(6) no . . . .
C6 C7 C8 C9 -1.1(7) no . . . .
C7 C8 C9 C10 -1.3(7) no . . . .
C8 C9 C10 Ge1 177.3(4) no . . . .
C8 C9 C10 C5 2.7(5) no . . . .
Ge1 C11 C12 C13 178.87(16) no . . . .
Ge1 C11 C16 C15 -178.83(17) no . . . .
C12 C11 C16 C15 -0.3(4) no . . . .
C16 C11 C12 C13 0.3(4) no . . . .
C11 C12 C13 C14 -0.1(4) no . . . .
C12 C13 C14 C15 -0.1(5) no . . . .
C13 C14 C15 C16 0.1(5) no . . . .
C14 C15 C16 C11 0.1(5) no . . . .
Ge2 C17 C18 C19 -178.77(16) no . . . .
Ge2 C17 C22 C21 179.12(19) no . . . .
C18 C17 C22 C21 0.1(5) no . . . .
C22 C17 C18 C19 0.3(4) no . . . .
C17 C18 C19 C20 -0.4(5) no . . . .
C18 C19 C20 C21 0.1(5) no . . . .
C19 C20 C21 C22 0.2(5) no . . . .
C20 C21 C22 C17 -0.3(6) no . . . .
Ge2 C23 C24 C25 -177.59(19) no . . . .
Ge2 C23 C28 C27 177.21(17) no . . . .
C24 C23 C28 C27 0.6(4) no . . . .
C28 C23 C24 C25 -1.1(5) no . . . .
C23 C24 C25 C26 -0.1(6) no . . . .
C24 C25 C26 C27 1.8(6) no . . . .
C25 C26 C27 C28 -2.2(6) no . . . .
C26 C27 C28 C23 1.1(5) 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_1
_geom_contact_site_symmetry_2
C1 C12 3.262(4) no . .
C2 C5 3.399(4) no . .
C3 C24 3.335(5) no . .
C4 C18 3.375(4) no . .
C4 C28 3.493(5) no . .
C5 C8 2.762(5) no . .
C6 C9 2.748(5) no . .
C7 C10 2.794(4) no . .
C9 C11 3.547(4) no . .
C11 C14 2.792(4) no . .
C12 C15 2.764(4) no . .
C13 C16 2.770(4) no . .
C17 C20 2.798(4) no . .
C18 C21 2.768(5) no . .
C19 C22 2.762(4) no . .
C23 C26 2.781(5) no . .
C24 C27 2.758(5) no . .
C25 C28 2.739(5) no . .
C1 C14 3.597(4) no . 3_656
C6 C28 3.600(5) no . 1_455
C7 C28 3.598(5) no . 1_455
C14 C1 3.597(4) no . 3_656
C15 C18 3.542(5) no . 1_545
C18 C15 3.542(5) no . 1_565
C26 C28 3.540(5) no . 2_645
C28 C6 3.600(5) no . 1_655
C28 C7 3.598(5) no . 1_655
C28 C26 3.540(5) no . 2_655
Ge1 H5 2.9806 no . .
Ge1 H9 2.9417 no . .
Ge1 H12 2.9487 no . .
Ge1 H16 2.9907 no . .
Ge2 H18 2.9969 no . .
Ge2 H22 2.9409 no . .
Ge2 H24 2.9839 no . .
Ge2 H28 2.9416 no . .
C1 H12 2.7394 no . .
C1 H18 3.4776 no . 3_666
C2 H5 2.9429 no . .
C2 H16 3.4363 no . .
C2 H24 3.4091 no . .
C3 H5 3.5573 no . .
C3 H22 3.5857 no . .
C3 H24 2.8578 no . .
C4 H12 3.2303 no . 3_666
C4 H18 2.8788 no . .
C4 H28 3.1758 no . .
C5 H7 3.2612 no . .
C5 H9 3.2422 no . .
C6 H8 3.2325 no . .
C7 H5 3.2558 no . .
C7 H9 3.2521 no . .
C8 H6 3.2312 no . .
C9 H5 3.2445 no . .
C9 H7 3.2586 no . .
C10 H6 3.2652 no . .
C10 H8 3.2682 no . .
C11 H9 3.1106 no . .
C11 H13 3.2732 no . .
C11 H15 3.2714 no . .
C12 H14 3.2579 no . .
C12 H16 3.2540 no . .
C13 H15 3.2466 no . .
C14 H12 3.2542 no . .
C14 H16 3.2588 no . .
C15 H13 3.2467 no . .
C16 H12 3.2525 no . .
C16 H14 3.2628 no . .
C17 H19 3.2710 no . .
C17 H21 3.2743 no . .
C18 H20 3.2701 no . .
C18 H22 3.2491 no . .
C19 H21 3.2372 no . .
C20 H18 3.2657 no . .
C20 H22 3.2597 no . .
C21 H19 3.2351 no . .
C22 H18 3.2492 no . .
C22 H20 3.2673 no . .
C23 H22 3.3892 no . .
C23 H25 3.2554 no . .
C23 H27 3.2712 no . .
C24 H26 3.2606 no . .
C24 H28 3.2329 no . .
C25 H27 3.2249 no . .
C26 H24 3.2585 no . .
C26 H28 3.2286 no . .
C27 H25 3.2199 no . .
C28 H24 3.2361 no . .
C28 H26 3.2375 no . .
H5 H6 2.3349 no . .
H6 H7 2.3180 no . .
H7 H8 2.3339 no . .
H8 H9 2.3312 no . .
H12 H13 2.3336 no . .
H12 H18 2.7703 no . 3_666
H13 H14 2.3315 no . .
H14 H15 2.3277 no . .
H15 H16 2.3404 no . .
H18 H19 2.3410 no . .
H19 H20 2.3301 no . .
H20 H21 2.3219 no . .
H21 H22 2.3484 no . .
H24 H25 2.3375 no . .
H25 H26 2.3277 no . .
H26 H27 2.3009 no . .
H27 H28 2.3369 no . .
Ge2 H13 3.5816 no . 3_656
C1 H7 3.3470 no . 3_566
C1 H14 3.3244 no . 1_565
C1 H14 3.3276 no . 3_656
C2 H13 2.9981 no . 3_656
C2 H14 3.3398 no . 1_565
C2 H20 3.3750 no . 2_545
C2 H21 3.2431 no . 2_545
C3 H13 2.9716 no . 3_656
C3 H14 3.3185 no . 1_565
C3 H15 3.4079 no . 1_565
C3 H20 3.2063 no . 2_545
C3 H21 3.5830 no . 2_545
C4 H7 3.2907 no . 1_655
C4 H14 3.2880 no . 1_565
C4 H14 3.4208 no . 3_656
C6 H27 3.4772 no . 1_455
C6 H28 3.4242 no . 1_455
C7 H5 3.5839 no . 3_566
C8 H9 3.1782 no . 3_556
C9 H8 3.5076 no . 3_556
C9 H9 3.1715 no . 3_556
C11 H8 3.0893 no . 3_556
C12 H8 3.0447 no . 3_556
C13 H7 3.0533 no . 3_556
C13 H8 3.0265 no . 3_556
C13 H24 3.6000 no . 3_656
C14 H7 2.9942 no . 3_556
C14 H8 3.0412 no . 3_556
C15 H8 3.0692 no . 3_556
C15 H18 3.1871 no . 1_545
C16 H8 3.0899 no . 3_556
C16 H18 3.5110 no . 1_545
C16 H21 3.5342 no . 2_545
C17 H15 3.2650 no . 1_565
C17 H26 3.3888 no . 2_655
C18 H15 3.0400 no . 1_565
C18 H25 3.2616 no . 1_565
C18 H27 3.3991 no . 2_655
C19 H24 3.3112 no . 1_565
C19 H25 3.1064 no . 1_565
C19 H27 3.1459 no . 2_655
C20 H22 3.3074 no . 2_555
C20 H27 3.2368 no . 2_655
C21 H16 3.5130 no . 2_555
C21 H19 3.5947 no . 2_545
C21 H27 3.5533 no . 2_655
C22 H20 3.3322 no . 2_545
C22 H26 3.4295 no . 2_655
C23 H7 3.3649 no . 1_655
C23 H13 3.2607 no . 3_656
C23 H26 3.4422 no . 2_655
C24 H13 2.9235 no . 3_656
C24 H19 3.1142 no . 1_545
C25 H19 3.2688 no . 1_545
C25 H27 3.4363 no . 2_645
C25 H28 3.3966 no . 2_645
C26 H28 3.0960 no . 2_645
C27 H6 3.4951 no . 1_655
C27 H25 3.0785 no . 2_655
C27 H26 3.5214 no . 2_655
C28 H6 3.2216 no . 1_655
C28 H7 3.2032 no . 1_655
C28 H25 3.3653 no . 2_655
C28 H26 2.8908 no . 2_655
H5 C7 3.5839 no . 3_566
H5 H15 3.3964 no . 1_565
H5 H20 3.1642 no . 2_545
H6 C27 3.4951 no . 1_455
H6 C28 3.2216 no . 1_455
H6 H27 3.3142 no . 1_455
H6 H28 2.8207 no . 1_455
H7 C1 3.3470 no . 3_566
H7 C4 3.2907 no . 1_455
H7 C13 3.0533 no . 3_556
H7 C14 2.9942 no . 3_556
H7 C23 3.3649 no . 1_455
H7 C28 3.2032 no . 1_455
H7 H13 3.0072 no . 3_556
H7 H14 2.9062 no . 3_556
H7 H28 3.3278 no . 1_455
H8 C9 3.5076 no . 3_556
H8 C11 3.0893 no . 3_556
H8 C12 3.0447 no . 3_556
H8 C13 3.0265 no . 3_556
H8 C14 3.0412 no . 3_556
H8 C15 3.0692 no . 3_556
H8 C16 3.0899 no . 3_556
H8 H9 2.6319 no . 3_556
H8 H12 3.5683 no . 3_556
H8 H13 3.5437 no . 3_556
H8 H14 3.5655 no . 3_556
H9 C8 3.1782 no . 3_556
H9 C9 3.1715 no . 3_556
H9 H8 2.6319 no . 3_556
H9 H9 2.6208 no . 3_556
H12 H8 3.5683 no . 3_556
H13 Ge2 3.5816 no . 3_656
H13 C2 2.9981 no . 3_656
H13 C3 2.9716 no . 3_656
H13 C23 3.2607 no . 3_656
H13 C24 2.9235 no . 3_656
H13 H7 3.0072 no . 3_556
H13 H8 3.5437 no . 3_556
H13 H24 2.7052 no . 3_656
H14 C1 3.3244 no . 1_545
H14 C1 3.3276 no . 3_656
H14 C2 3.3398 no . 1_545
H14 C3 3.3185 no . 1_545
H14 C4 3.2880 no . 1_545
H14 C4 3.4208 no . 3_656
H14 H7 2.9062 no . 3_556
H14 H8 3.5655 no . 3_556
H15 C3 3.4079 no . 1_545
H15 C17 3.2650 no . 1_545
H15 C18 3.0400 no . 1_545
H15 H5 3.3964 no . 1_545
H15 H18 2.9169 no . 1_545
H16 C21 3.5130 no . 2_545
H16 H18 3.4864 no . 1_545
H16 H19 3.4595 no . 1_545
H16 H21 2.6203 no . 2_545
H18 C15 3.1871 no . 1_565
H18 C16 3.5110 no . 1_565
H18 H15 2.9169 no . 1_565
H18 H16 3.4864 no . 1_565
H18 H24 3.5195 no . 1_565
H18 H25 3.0506 no . 1_565
H19 C21 3.5947 no . 2_555
H19 C24 3.1142 no . 1_565
H19 C25 3.2688 no . 1_565
H19 H16 3.4595 no . 1_565
H19 H21 3.2321 no . 2_555
H19 H22 3.5420 no . 2_555
H19 H24 2.4511 no . 1_565
H19 H25 2.7689 no . 1_565
H19 H27 3.4525 no . 2_655
H20 C2 3.3750 no . 2_555
H20 C3 3.2063 no . 2_555
H20 C22 3.3322 no . 2_555
H20 H5 3.1642 no . 2_555
H20 H22 2.9849 no . 2_555
H20 H27 3.5910 no . 2_655
H21 C2 3.2431 no . 2_555
H21 C3 3.5830 no . 2_555
H21 C16 3.5342 no . 2_555
H21 H16 2.6203 no . 2_555
H21 H19 3.2321 no . 2_545
H22 C20 3.3074 no . 2_545
H22 H19 3.5420 no . 2_545
H22 H20 2.9849 no . 2_545
H24 C13 3.6000 no . 3_656
H24 C19 3.3112 no . 1_545
H24 H13 2.7052 no . 3_656
H24 H18 3.5195 no . 1_545
H24 H19 2.4511 no . 1_545
H25 C18 3.2616 no . 1_545
H25 C19 3.1064 no . 1_545
H25 C27 3.0785 no . 2_645
H25 C28 3.3653 no . 2_645
H25 H18 3.0506 no . 1_545
H25 H19 2.7689 no . 1_545
H25 H27 2.6659 no . 2_645
H25 H28 3.1795 no . 2_645
H26 C17 3.3888 no . 2_645
H26 C22 3.4295 no . 2_645
H26 C23 3.4422 no . 2_645
H26 C27 3.5214 no . 2_645
H26 C28 2.8908 no . 2_645
H26 H28 2.5908 no . 2_645
H27 C6 3.4772 no . 1_655
H27 C18 3.3991 no . 2_645
H27 C19 3.1459 no . 2_645
H27 C20 3.2368 no . 2_645
H27 C21 3.5533 no . 2_645
H27 C25 3.4363 no . 2_655
H27 H6 3.3142 no . 1_655
H27 H19 3.4525 no . 2_645
H27 H20 3.5910 no . 2_645
H27 H25 2.6659 no . 2_655
H28 C6 3.4242 no . 1_655
H28 C25 3.3966 no . 2_655
H28 C26 3.0960 no . 2_655
H28 H6 2.8207 no . 1_655
H28 H7 3.3278 no . 1_655
H28 H25 3.1795 no . 2_655
H28 H26 2.5908 no . 2_655

#==============================================================================

#==============================================================================
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 -0.032 -0.168 0.347 135 43 ' '
2 0.032 0.168 0.653 135 43 ' '
3 0.532 0.332 0.153 135 43 ' '
4 0.468 0.668 0.847 135 43 ' '
_platon_squeeze_details          
;
;


#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 983323'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Dodecaphenylgerma(6)pericy

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C86 H64 Cl2 Ge6'
_chemical_formula_moiety         'C84 H60 Ge6, C2 H4 Cl2'
_chemical_formula_weight         1603.90
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 1/2+X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   17.4400(4)
_cell_length_b                   18.7148(4)
_cell_length_c                   24.9080(5)
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.0294(7)
_cell_angle_gamma                90.0000
_cell_volume                     8005.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    87208
_cell_measurement_theta_min      3.10
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    213
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3224.00
_exptl_absorpt_coefficient_mu    2.330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.505
_exptl_absorpt_correction_T_max  0.705

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      213
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            139602
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             18345
_reflns_number_gt                14345
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0625
_refine_ls_wR_factor_ref         0.2211
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         18345
_refine_ls_number_parameters     847
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1179P)²+16.1282P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.990
_refine_diff_density_min         -0.900
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ge Ge 0.1547 1.8001
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.48074(3) 0.73686(3) 0.09306(2) 0.03881(14) Uani 1.0 4 d . . .
Ge2 Ge 0.35837(3) 0.50854(3) 0.13714(2) 0.03626(14) Uani 1.0 4 d . . .
Ge3 Ge 0.44754(3) 0.26694(3) 0.09325(2) 0.04236(15) Uani 1.0 4 d . . .
Ge4 Ge 0.65805(3) 0.48638(3) 0.36893(2) 0.03831(14) Uani 1.0 4 d . . .
Ge5 Ge 0.51262(3) 0.26515(3) 0.39925(2) 0.04139(14) Uani 1.0 4 d . . .
Ge6 Ge 0.42283(3) 0.26996(3) 0.57982(2) 0.04044(14) Uani 1.0 4 d . . .
Cl1 Cl 0.61107(12) 0.54824(13) 0.02516(9) 0.0912(7) Uani 1.0 4 d . . .
Cl2 Cl 0.37834(13) 0.52016(16) 0.47923(8) 0.1008(8) Uani 1.0 4 d . . .
C1 C 0.5106(3) 0.7347(3) 0.0228(2) 0.0412(11) Uani 1.0 4 d . . .
C2 C 0.4452(3) 0.6443(3) 0.1093(2) 0.0440(11) Uani 1.0 4 d . . .
C3 C 0.4170(3) 0.5891(3) 0.1209(2) 0.0432(11) Uani 1.0 4 d . . .
C4 C 0.4068(3) 0.4226(3) 0.1206(2) 0.0417(11) Uani 1.0 4 d . . .
C5 C 0.4293(3) 0.3636(3) 0.1105(2) 0.0445(11) Uani 1.0 4 d . . .
C6 C 0.4735(4) 0.2656(3) 0.0217(3) 0.0443(12) Uani 1.0 4 d . . .
C7 C 0.3899(4) 0.7977(3) 0.0879(3) 0.0478(12) Uani 1.0 4 d . . .
C8 C 0.3771(5) 0.8536(4) 0.0508(3) 0.075(2) Uani 1.0 4 d . . .
C9 C 0.3106(7) 0.8954(5) 0.0462(5) 0.108(4) Uani 1.0 4 d . . .
C10 C 0.2566(6) 0.8800(6) 0.0791(5) 0.103(4) Uani 1.0 4 d . . .
C11 C 0.2678(6) 0.8263(6) 0.1147(4) 0.093(3) Uani 1.0 4 d . . .
C12 C 0.3329(4) 0.7849(4) 0.1191(3) 0.0623(16) Uani 1.0 4 d . . .
C13 C 0.5685(4) 0.7613(3) 0.1485(3) 0.0484(12) Uani 1.0 4 d . . .
C14 C 0.5681(5) 0.7441(5) 0.2031(3) 0.082(3) Uani 1.0 4 d . . .
C15 C 0.6292(6) 0.7629(5) 0.2436(3) 0.091(3) Uani 1.0 4 d . . .
C16 C 0.6912(5) 0.7995(5) 0.2310(3) 0.081(3) Uani 1.0 4 d . . .
C17 C 0.6932(5) 0.8149(7) 0.1794(4) 0.112(4) Uani 1.0 4 d . . .
C18 C 0.6320(5) 0.7957(5) 0.1376(3) 0.082(3) Uani 1.0 4 d . . .
C19 C 0.2571(3) 0.5140(3) 0.0921(2) 0.0455(12) Uani 1.0 4 d . . .
C20 C 0.2252(4) 0.5786(4) 0.0741(4) 0.0725(19) Uani 1.0 4 d . . .
C21 C 0.1523(5) 0.5835(6) 0.0415(4) 0.099(3) Uani 1.0 4 d . . .
C22 C 0.1113(5) 0.5244(7) 0.0264(4) 0.102(4) Uani 1.0 4 d . . .
C23 C 0.1419(6) 0.4588(6) 0.0430(5) 0.111(4) Uani 1.0 4 d . . .
C24 C 0.2145(5) 0.4538(5) 0.0764(4) 0.088(3) Uani 1.0 4 d . . .
C25 C 0.3556(3) 0.5075(3) 0.2144(2) 0.0417(11) Uani 1.0 4 d . . .
C26 C 0.2880(4) 0.4893(4) 0.2333(3) 0.0588(15) Uani 1.0 4 d . . .
C27 C 0.2890(5) 0.4824(5) 0.2889(3) 0.079(3) Uani 1.0 4 d . . .
C28 C 0.3547(5) 0.4950(4) 0.3248(3) 0.073(2) Uani 1.0 4 d . . .
C29 C 0.4216(5) 0.5136(4) 0.3076(3) 0.0673(18) Uani 1.0 4 d . . .
C30 C 0.4224(4) 0.5196(4) 0.2519(3) 0.0564(14) Uani 1.0 4 d . . .
C31 C 0.3474(4) 0.2213(4) 0.0925(3) 0.0622(17) Uani 1.0 4 d . . .
C32 C 0.2813(6) 0.2529(6) 0.0665(6) 0.122(5) Uani 1.0 4 d . . .
C33 C 0.2099(8) 0.2239(9) 0.0691(9) 0.188(10) Uani 1.0 4 d . . .
C34 C 0.2005(10) 0.1678(12) 0.0919(9) 0.184(11) Uani 1.0 4 d . . .
C35 C 0.2643(12) 0.1324(9) 0.1201(6) 0.164(8) Uani 1.0 4 d . . .
C36 C 0.3419(7) 0.1586(6) 0.1196(4) 0.112(4) Uani 1.0 4 d . . .
C37 C 0.5336(4) 0.2280(3) 0.1440(3) 0.0532(14) Uani 1.0 4 d . . .
C38 C 0.5280(5) 0.2181(5) 0.1986(3) 0.079(3) Uani 1.0 4 d . . .
C39 C 0.5904(6) 0.1916(6) 0.2357(3) 0.095(3) Uani 1.0 4 d . . .
C40 C 0.6593(5) 0.1772(5) 0.2190(4) 0.084(3) Uani 1.0 4 d . . .
C41 C 0.6666(5) 0.1898(5) 0.1664(4) 0.088(3) Uani 1.0 4 d . . .
C42 C 0.6037(5) 0.2135(4) 0.1286(3) 0.0681(18) Uani 1.0 4 d . . .
C43 C 0.6214(3) 0.5756(3) 0.3918(3) 0.0457(12) Uani 1.0 4 d . . .
C44 C 0.5955(3) 0.4088(3) 0.3857(2) 0.0448(11) Uani 1.0 4 d . . .
C45 C 0.5620(3) 0.3545(3) 0.3920(2) 0.0453(12) Uani 1.0 4 d . . .
C46 C 0.4754(4) 0.2670(3) 0.4672(3) 0.0455(12) Uani 1.0 4 d . . .
C47 C 0.4544(4) 0.2698(3) 0.5100(3) 0.0464(12) Uani 1.0 4 d . . .
C48 C 0.3974(3) 0.3660(3) 0.5960(2) 0.0454(12) Uani 1.0 4 d . . .
C49 C 0.6442(3) 0.4902(3) 0.2903(2) 0.0421(11) Uani 1.0 4 d . . .
C50 C 0.6262(4) 0.4280(4) 0.2601(3) 0.0520(13) Uani 1.0 4 d . . .
C51 C 0.6136(4) 0.4310(4) 0.2033(3) 0.0655(17) Uani 1.0 4 d . . .
C52 C 0.6187(4) 0.4941(5) 0.1770(3) 0.071(2) Uani 1.0 4 d . . .
C53 C 0.6377(5) 0.5570(5) 0.2070(3) 0.0713(19) Uani 1.0 4 d . . .
C54 C 0.6496(4) 0.5546(4) 0.2633(3) 0.0554(14) Uani 1.0 4 d . . .
C55 C 0.7626(3) 0.4707(3) 0.4078(2) 0.0449(12) Uani 1.0 4 d . . .
C56 C 0.8250(4) 0.5085(5) 0.3934(3) 0.080(3) Uani 1.0 4 d . . .
C57 C 0.8997(5) 0.4986(6) 0.4224(4) 0.098(3) Uani 1.0 4 d . . .
C58 C 0.9110(5) 0.4514(5) 0.4668(4) 0.085(3) Uani 1.0 4 d . . .
C59 C 0.8506(5) 0.4126(5) 0.4801(3) 0.075(2) Uani 1.0 4 d . . .
C60 C 0.7767(4) 0.4231(4) 0.4513(3) 0.0571(14) Uani 1.0 4 d . . .
C61 C 0.4278(4) 0.2555(4) 0.3387(3) 0.0511(13) Uani 1.0 4 d . . .
C62 C 0.4154(4) 0.3056(4) 0.2969(3) 0.0573(14) Uani 1.0 4 d . . .
C63 C 0.3574(5) 0.2980(5) 0.2520(3) 0.080(3) Uani 1.0 4 d . . .
C64 C 0.3126(6) 0.2385(6) 0.2469(4) 0.094(3) Uani 1.0 4 d . . .
C65 C 0.3216(6) 0.1863(6) 0.2872(5) 0.103(3) Uani 1.0 4 d . . .
C66 C 0.3791(5) 0.1955(5) 0.3323(4) 0.088(3) Uani 1.0 4 d . . .
C67 C 0.5915(4) 0.1909(4) 0.4008(3) 0.0559(14) Uani 1.0 4 d . . .
C68 C 0.5706(6) 0.1210(5) 0.3944(5) 0.100(3) Uani 1.0 4 d . . .
C69 C 0.6262(7) 0.0678(5) 0.3934(5) 0.106(3) Uani 1.0 4 d . . .
C70 C 0.7023(7) 0.0858(6) 0.3985(6) 0.121(4) Uani 1.0 4 d . . .
C71 C 0.7225(7) 0.1532(7) 0.4038(8) 0.166(7) Uani 1.0 4 d . . .
C72 C 0.6665(5) 0.2066(6) 0.4029(6) 0.133(5) Uani 1.0 4 d . . .
C73 C 0.3306(3) 0.2114(3) 0.5764(2) 0.0410(11) Uani 1.0 4 d . . .
C74 C 0.2667(4) 0.2210(4) 0.5347(3) 0.0644(17) Uani 1.0 4 d . . .
C75 C 0.2013(4) 0.1792(5) 0.5335(3) 0.081(3) Uani 1.0 4 d . . .
C76 C 0.1974(5) 0.1292(4) 0.5729(3) 0.0728(19) Uani 1.0 4 d . . .
C77 C 0.2586(5) 0.1200(4) 0.6139(3) 0.0701(18) Uani 1.0 4 d . . .
C78 C 0.3257(4) 0.1603(4) 0.6149(3) 0.0542(14) Uani 1.0 4 d . . .
C79 C 0.5068(4) 0.2380(4) 0.6345(3) 0.0516(13) Uani 1.0 4 d . . .
C80 C 0.5390(4) 0.2807(5) 0.6784(3) 0.0686(18) Uani 1.0 4 d . . .
C81 C 0.5984(5) 0.2529(7) 0.7181(4) 0.096(3) Uani 1.0 4 d . . .
C82 C 0.6260(6) 0.1836(8) 0.7139(5) 0.111(4) Uani 1.0 4 d . . .
C83 C 0.5950(6) 0.1452(7) 0.6729(5) 0.113(4) Uani 1.0 4 d . . .
C84 C 0.5360(5) 0.1686(5) 0.6329(4) 0.086(3) Uani 1.0 4 d . . .
C85 C 0.5100(5) 0.5380(4) -0.0005(4) 0.0709(19) Uani 1.0 4 d . . .
C86 C 0.4804(11) 0.4727(6) 0.4926(6) 0.183(8) Uani 1.0 4 d . . .
H8 H 0.4140 0.8633 0.0284 0.0897 Uiso 1.0 4 calc R . .
H9 H 0.3023 0.9334 0.0211 0.1300 Uiso 1.0 4 calc R . .
H10 H 0.2113 0.9079 0.0764 0.1240 Uiso 1.0 4 calc R . .
H11 H 0.2305 0.8169 0.1368 0.1115 Uiso 1.0 4 calc R . .
H12 H 0.3393 0.7468 0.1441 0.0747 Uiso 1.0 4 calc R . .
H14 H 0.5253 0.7193 0.2123 0.0990 Uiso 1.0 4 calc R . .
H15 H 0.6280 0.7503 0.2800 0.1090 Uiso 1.0 4 calc R . .
H16 H 0.7321 0.8137 0.2587 0.0972 Uiso 1.0 4 calc R . .
H17 H 0.7365 0.8392 0.1707 0.1341 Uiso 1.0 4 calc R . .
H18 H 0.6352 0.8069 0.1013 0.0985 Uiso 1.0 4 calc R . .
H20 H 0.2535 0.6207 0.0843 0.0870 Uiso 1.0 4 calc R . .
H21 H 0.1318 0.6284 0.0299 0.1189 Uiso 1.0 4 calc R . .
H22 H 0.0617 0.5277 0.0046 0.1228 Uiso 1.0 4 calc R . .
H23 H 0.1137 0.4170 0.0316 0.1328 Uiso 1.0 4 calc R . .
H24 H 0.2345 0.4087 0.0883 0.1052 Uiso 1.0 4 calc R . .
H26 H 0.2415 0.4817 0.2085 0.0706 Uiso 1.0 4 calc R . .
H27 H 0.2435 0.4688 0.3016 0.0945 Uiso 1.0 4 calc R . .
H28 H 0.3542 0.4909 0.3624 0.0873 Uiso 1.0 4 calc R . .
H29 H 0.4671 0.5224 0.3331 0.0807 Uiso 1.0 4 calc R . .
H30 H 0.4688 0.5320 0.2398 0.0677 Uiso 1.0 4 calc R . .
H32 H 0.2844 0.2950 0.0464 0.1468 Uiso 1.0 4 calc R . .
H33 H 0.1654 0.2489 0.0522 0.2258 Uiso 1.0 4 calc R . .
H34 H 0.1503 0.1488 0.0903 0.2205 Uiso 1.0 4 calc R . .
H35 H 0.2572 0.0909 0.1398 0.1965 Uiso 1.0 4 calc R . .
H36 H 0.3863 0.1338 0.1369 0.1340 Uiso 1.0 4 calc R . .
H38 H 0.4813 0.2296 0.2106 0.0951 Uiso 1.0 4 calc R . .
H39 H 0.5852 0.1835 0.2721 0.1137 Uiso 1.0 4 calc R . .
H40 H 0.7014 0.1587 0.2437 0.1009 Uiso 1.0 4 calc R . .
H41 H 0.7149 0.1824 0.1555 0.1060 Uiso 1.0 4 calc R . .
H42 H 0.6093 0.2197 0.0920 0.0818 Uiso 1.0 4 calc R . .
H50 H 0.6227 0.3842 0.2779 0.0624 Uiso 1.0 4 calc R . .
H51 H 0.6014 0.3890 0.1830 0.0786 Uiso 1.0 4 calc R . .
H52 H 0.6096 0.4955 0.1387 0.0854 Uiso 1.0 4 calc R . .
H53 H 0.6422 0.6005 0.1889 0.0856 Uiso 1.0 4 calc R . .
H54 H 0.6615 0.5968 0.2835 0.0665 Uiso 1.0 4 calc R . .
H56 H 0.8164 0.5407 0.3640 0.0962 Uiso 1.0 4 calc R . .
H57 H 0.9421 0.5232 0.4124 0.1181 Uiso 1.0 4 calc R . .
H58 H 0.9610 0.4464 0.4878 0.1015 Uiso 1.0 4 calc R . .
H59 H 0.8594 0.3791 0.5086 0.0902 Uiso 1.0 4 calc R . .
H60 H 0.7349 0.3976 0.4612 0.0685 Uiso 1.0 4 calc R . .
H62 H 0.4477 0.3461 0.2993 0.0688 Uiso 1.0 4 calc R . .
H63 H 0.3491 0.3338 0.2251 0.0958 Uiso 1.0 4 calc R . .
H64 H 0.2747 0.2323 0.2154 0.1124 Uiso 1.0 4 calc R . .
H65 H 0.2893 0.1458 0.2839 0.1237 Uiso 1.0 4 calc R . .
H66 H 0.3859 0.1603 0.3597 0.1059 Uiso 1.0 4 calc R . .
H68 H 0.5177 0.1083 0.3906 0.1202 Uiso 1.0 4 calc R . .
H69 H 0.6110 0.0197 0.3891 0.1267 Uiso 1.0 4 calc R . .
H70 H 0.7403 0.0503 0.3983 0.1452 Uiso 1.0 4 calc R . .
H71 H 0.7754 0.1658 0.4083 0.1988 Uiso 1.0 4 calc R . .
H72 H 0.6820 0.2547 0.4038 0.1598 Uiso 1.0 4 calc R . .
H74 H 0.2683 0.2556 0.5076 0.0773 Uiso 1.0 4 calc R . .
H75 H 0.1586 0.1852 0.5051 0.0966 Uiso 1.0 4 calc R . .
H76 H 0.1524 0.1012 0.5716 0.0874 Uiso 1.0 4 calc R . .
H77 H 0.2557 0.0866 0.6417 0.0841 Uiso 1.0 4 calc R . .
H78 H 0.3688 0.1522 0.6426 0.0650 Uiso 1.0 4 calc R . .
H80 H 0.5211 0.3277 0.6813 0.0823 Uiso 1.0 4 calc R . .
H81 H 0.6199 0.2814 0.7480 0.1148 Uiso 1.0 4 calc R . .
H82 H 0.6663 0.1653 0.7403 0.1335 Uiso 1.0 4 calc R . .
H83 H 0.6138 0.0986 0.6702 0.1353 Uiso 1.0 4 calc R . .
H84 H 0.5151 0.1378 0.6042 0.1031 Uiso 1.0 4 calc R . .
H85A H 0.4795 0.5652 0.0221 0.0850 Uiso 1.0 4 calc R . .
H85B H 0.4978 0.5562 -0.0379 0.0850 Uiso 1.0 4 calc R . .
H86A H 0.4843 0.4366 0.5214 0.2194 Uiso 1.0 4 calc R . .
H86B H 0.4938 0.4515 0.4594 0.2194 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ge1 C1 1.912(6) yes . .
Ge1 C2 1.906(6) yes . .
Ge1 C7 1.937(6) yes . .
Ge1 C13 1.930(6) yes . .
Ge2 C3 1.904(6) yes . .
Ge2 C4 1.896(6) yes . .
Ge2 C19 1.924(5) yes . .
Ge2 C25 1.934(6) yes . .
Ge3 C5 1.900(6) yes . .
Ge3 C6 1.914(6) yes . .
Ge3 C31 1.941(7) yes . .
Ge3 C37 1.929(6) yes . .
Ge4 C43 1.910(6) yes . .
Ge4 C44 1.906(6) yes . .
Ge4 C49 1.932(6) yes . .
Ge4 C55 1.933(5) yes . .
Ge5 C45 1.903(6) yes . .
Ge5 C46 1.916(7) yes . .
Ge5 C61 1.929(6) yes . .
Ge5 C67 1.951(7) yes . .
Ge6 C47 1.915(6) yes . .
Ge6 C48 1.911(6) yes . .
Ge6 C73 1.936(5) yes . .
Ge6 C79 1.915(6) yes . .
Cl1 C85 1.778(8) yes . .
Cl2 C86 1.965(18) yes . .
C1 C6 1.187(8) yes . 3_665
C2 C3 1.202(8) yes . .
C4 C5 1.211(8) yes . .
C7 C8 1.389(9) yes . .
C7 C12 1.385(10) yes . .
C8 C9 1.387(13) yes . .
C9 C10 1.382(16) yes . .
C10 C11 1.330(15) yes . .
C11 C12 1.363(12) yes . .
C13 C14 1.398(10) yes . .
C13 C18 1.348(11) yes . .
C14 C15 1.379(12) yes . .
C15 C16 1.363(14) yes . .
C16 C17 1.322(13) yes . .
C17 C18 1.404(11) yes . .
C19 C20 1.372(9) yes . .
C19 C24 1.369(10) yes . .
C20 C21 1.389(11) yes . .
C21 C22 1.334(15) yes . .
C22 C23 1.373(16) yes . .
C23 C24 1.392(12) yes . .
C25 C26 1.386(9) yes . .
C25 C30 1.378(8) yes . .
C26 C27 1.388(10) yes . .
C27 C28 1.346(10) yes . .
C28 C29 1.356(12) yes . .
C29 C30 1.396(9) yes . .
C31 C32 1.356(12) yes . .
C31 C36 1.366(12) yes . .
C32 C33 1.369(18) yes . .
C33 C34 1.22(3) yes . .
C34 C35 1.38(3) yes . .
C35 C36 1.44(3) yes . .
C37 C38 1.393(10) yes . .
C37 C42 1.372(11) yes . .
C38 C39 1.391(12) yes . .
C39 C40 1.364(14) yes . .
C40 C41 1.357(13) yes . .
C41 C42 1.389(11) yes . .
C43 C48 1.196(8) yes . 3_666
C44 C45 1.197(8) yes . .
C46 C47 1.186(9) yes . .
C49 C50 1.392(8) yes . .
C49 C54 1.392(9) yes . .
C50 C51 1.393(9) yes . .
C51 C52 1.361(11) yes . .
C52 C53 1.402(11) yes . .
C53 C54 1.383(9) yes . .
C55 C56 1.396(10) yes . .
C55 C60 1.391(8) yes . .
C56 C57 1.387(11) yes . .
C57 C58 1.403(14) yes . .
C58 C59 1.368(13) yes . .
C59 C60 1.375(10) yes . .
C61 C62 1.390(9) yes . .
C61 C66 1.400(10) yes . .
C62 C63 1.377(9) yes . .
C63 C64 1.353(14) yes . .
C64 C65 1.391(15) yes . .
C65 C66 1.380(13) yes . .
C67 C68 1.360(11) yes . .
C67 C72 1.332(12) yes . .
C68 C69 1.393(14) yes . .
C69 C70 1.353(16) yes . .
C70 C71 1.310(17) yes . .
C71 C72 1.394(16) yes . .
C73 C74 1.396(8) yes . .
C73 C78 1.367(8) yes . .
C74 C75 1.379(11) yes . .
C75 C76 1.366(12) yes . .
C76 C77 1.353(10) yes . .
C77 C78 1.388(10) yes . .
C79 C80 1.389(9) yes . .
C79 C84 1.398(11) yes . .
C80 C81 1.403(11) yes . .
C81 C82 1.393(18) yes . .
C82 C83 1.287(17) yes . .
C83 C84 1.374(13) yes . .
C85 C85 1.464(10) yes . 3_665
C86 C86 1.249(19) yes . 3_666
C8 H8 0.940 no . .
C9 H9 0.940 no . .
C10 H10 0.940 no . .
C11 H11 0.940 no . .
C12 H12 0.940 no . .
C14 H14 0.940 no . .
C15 H15 0.940 no . .
C16 H16 0.940 no . .
C17 H17 0.940 no . .
C18 H18 0.940 no . .
C20 H20 0.940 no . .
C21 H21 0.940 no . .
C22 H22 0.940 no . .
C23 H23 0.940 no . .
C24 H24 0.940 no . .
C26 H26 0.940 no . .
C27 H27 0.940 no . .
C28 H28 0.940 no . .
C29 H29 0.940 no . .
C30 H30 0.940 no . .
C32 H32 0.940 no . .
C33 H33 0.940 no . .
C34 H34 0.940 no . .
C35 H35 0.940 no . .
C36 H36 0.940 no . .
C38 H38 0.940 no . .
C39 H39 0.940 no . .
C40 H40 0.940 no . .
C41 H41 0.940 no . .
C42 H42 0.940 no . .
C50 H50 0.940 no . .
C51 H51 0.940 no . .
C52 H52 0.940 no . .
C53 H53 0.940 no . .
C54 H54 0.940 no . .
C56 H56 0.940 no . .
C57 H57 0.940 no . .
C58 H58 0.940 no . .
C59 H59 0.940 no . .
C60 H60 0.940 no . .
C62 H62 0.940 no . .
C63 H63 0.940 no . .
C64 H64 0.940 no . .
C65 H65 0.940 no . .
C66 H66 0.940 no . .
C68 H68 0.940 no . .
C69 H69 0.940 no . .
C70 H70 0.940 no . .
C71 H71 0.940 no . .
C72 H72 0.940 no . .
C74 H74 0.940 no . .
C75 H75 0.940 no . .
C76 H76 0.940 no . .
C77 H77 0.940 no . .
C78 H78 0.940 no . .
C80 H80 0.940 no . .
C81 H81 0.940 no . .
C82 H82 0.940 no . .
C83 H83 0.940 no . .
C84 H84 0.940 no . .
C85 H85A 0.980 no . .
C85 H85B 0.980 no . .
C86 H86A 0.980 no . .
C86 H86B 0.980 no . .

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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
C1 Ge1 C2 109.0(3) yes . . .
C1 Ge1 C7 107.6(3) yes . . .
C1 Ge1 C13 110.6(3) yes . . .
C2 Ge1 C7 104.8(3) yes . . .
C2 Ge1 C13 108.1(3) yes . . .
C7 Ge1 C13 116.5(3) yes . . .
C3 Ge2 C4 110.5(3) yes . . .
C3 Ge2 C19 107.9(3) yes . . .
C3 Ge2 C25 109.0(3) yes . . .
C4 Ge2 C19 108.5(3) yes . . .
C4 Ge2 C25 107.3(3) yes . . .
C19 Ge2 C25 113.7(3) yes . . .
C5 Ge3 C6 107.4(3) yes . . .
C5 Ge3 C31 103.6(3) yes . . .
C5 Ge3 C37 110.7(3) yes . . .
C6 Ge3 C31 110.1(3) yes . . .
C6 Ge3 C37 108.8(3) yes . . .
C31 Ge3 C37 115.9(3) yes . . .
C43 Ge4 C44 111.5(3) yes . . .
C43 Ge4 C49 106.3(3) yes . . .
C43 Ge4 C55 108.6(3) yes . . .
C44 Ge4 C49 105.9(3) yes . . .
C44 Ge4 C55 107.5(3) yes . . .
C49 Ge4 C55 117.0(3) yes . . .
C45 Ge5 C46 107.2(3) yes . . .
C45 Ge5 C61 107.8(3) yes . . .
C45 Ge5 C67 107.4(3) yes . . .
C46 Ge5 C61 111.1(3) yes . . .
C46 Ge5 C67 109.9(3) yes . . .
C61 Ge5 C67 113.1(3) yes . . .
C47 Ge6 C48 107.9(3) yes . . .
C47 Ge6 C73 109.1(3) yes . . .
C47 Ge6 C79 109.9(3) yes . . .
C48 Ge6 C73 108.7(3) yes . . .
C48 Ge6 C79 108.7(3) yes . . .
C73 Ge6 C79 112.4(3) yes . . .
Ge1 C1 C6 177.5(5) yes . . 3_665
Ge1 C2 C3 174.0(5) yes . . .
Ge2 C3 C2 171.8(5) yes . . .
Ge2 C4 C5 172.0(5) yes . . .
Ge3 C5 C4 170.8(5) yes . . .
Ge3 C6 C1 179.4(5) yes . . 3_665
Ge1 C7 C8 121.5(6) yes . . .
Ge1 C7 C12 121.3(5) yes . . .
C8 C7 C12 117.2(6) yes . . .
C7 C8 C9 121.0(8) yes . . .
C8 C9 C10 118.6(9) yes . . .
C9 C10 C11 121.2(10) yes . . .
C10 C11 C12 120.4(10) yes . . .
C7 C12 C11 121.7(7) yes . . .
Ge1 C13 C14 120.2(5) yes . . .
Ge1 C13 C18 123.0(5) yes . . .
C14 C13 C18 116.8(6) yes . . .
C13 C14 C15 121.2(8) yes . . .
C14 C15 C16 120.2(8) yes . . .
C15 C16 C17 119.3(8) yes . . .
C16 C17 C18 121.4(9) yes . . .
C13 C18 C17 121.1(8) yes . . .
Ge2 C19 C20 121.0(5) yes . . .
Ge2 C19 C24 121.3(5) yes . . .
C20 C19 C24 117.7(6) yes . . .
C19 C20 C21 121.7(7) yes . . .
C20 C21 C22 120.1(9) yes . . .
C21 C22 C23 119.7(8) yes . . .
C22 C23 C24 120.3(9) yes . . .
C19 C24 C23 120.4(8) yes . . .
Ge2 C25 C26 120.6(4) yes . . .
Ge2 C25 C30 120.5(5) yes . . .
C26 C25 C30 118.7(6) yes . . .
C25 C26 C27 119.8(6) yes . . .
C26 C27 C28 120.6(8) yes . . .
C27 C28 C29 121.0(7) yes . . .
C28 C29 C30 119.5(6) yes . . .
C25 C30 C29 120.5(7) yes . . .
Ge3 C31 C32 120.1(7) yes . . .
Ge3 C31 C36 120.9(7) yes . . .
C32 C31 C36 118.9(9) yes . . .
C31 C32 C33 120.6(12) yes . . .
C32 C33 C34 124.0(14) yes . . .
C33 C34 C35 119.3(16) yes . . .
C34 C35 C36 120.6(15) yes . . .
C31 C36 C35 116.3(10) yes . . .
Ge3 C37 C38 120.8(6) yes . . .
Ge3 C37 C42 121.4(5) yes . . .
C38 C37 C42 117.7(6) yes . . .
C37 C38 C39 121.1(8) yes . . .
C38 C39 C40 119.7(8) yes . . .
C39 C40 C41 119.7(8) yes . . .
C40 C41 C42 121.0(9) yes . . .
C37 C42 C41 120.6(7) yes . . .
Ge4 C43 C48 174.8(6) yes . . 3_666
Ge4 C44 C45 171.0(6) yes . . .
Ge5 C45 C44 176.3(6) yes . . .
Ge5 C46 C47 177.6(5) yes . . .
Ge6 C47 C46 177.3(5) yes . . .
Ge6 C48 C43 176.0(6) yes . . 3_666
Ge4 C49 C50 119.7(4) yes . . .
Ge4 C49 C54 121.0(4) yes . . .
C50 C49 C54 119.3(5) yes . . .
C49 C50 C51 119.8(6) yes . . .
C50 C51 C52 120.7(7) yes . . .
C51 C52 C53 120.1(6) yes . . .
C52 C53 C54 119.5(7) yes . . .
C49 C54 C53 120.6(6) yes . . .
Ge4 C55 C56 120.3(5) yes . . .
Ge4 C55 C60 120.7(5) yes . . .
C56 C55 C60 119.0(6) yes . . .
C55 C56 C57 120.1(8) yes . . .
C56 C57 C58 119.0(9) yes . . .
C57 C58 C59 121.1(7) yes . . .
C58 C59 C60 119.4(7) yes . . .
C55 C60 C59 121.3(7) yes . . .
Ge5 C61 C62 121.4(5) yes . . .
Ge5 C61 C66 122.0(5) yes . . .
C62 C61 C66 116.4(6) yes . . .
C61 C62 C63 122.4(7) yes . . .
C62 C63 C64 119.4(8) yes . . .
C63 C64 C65 121.3(8) yes . . .
C64 C65 C66 118.4(9) yes . . .
C61 C66 C65 122.1(8) yes . . .
Ge5 C67 C68 120.6(6) yes . . .
Ge5 C67 C72 121.8(6) yes . . .
C68 C67 C72 117.3(8) yes . . .
C67 C68 C69 121.0(9) yes . . .
C68 C69 C70 119.7(9) yes . . .
C69 C70 C71 119.4(11) yes . . .
C70 C71 C72 120.9(11) yes . . .
C67 C72 C71 121.5(9) yes . . .
Ge6 C73 C74 120.6(5) yes . . .
Ge6 C73 C78 121.2(4) yes . . .
C74 C73 C78 118.2(6) yes . . .
C73 C74 C75 119.5(7) yes . . .
C74 C75 C76 121.1(7) yes . . .
C75 C76 C77 119.9(7) yes . . .
C76 C77 C78 119.7(7) yes . . .
C73 C78 C77 121.6(6) yes . . .
Ge6 C79 C80 122.2(5) yes . . .
Ge6 C79 C84 120.4(5) yes . . .
C80 C79 C84 117.3(6) yes . . .
C79 C80 C81 119.3(8) yes . . .
C80 C81 C82 120.9(9) yes . . .
C81 C82 C83 118.4(10) yes . . .
C82 C83 C84 123.8(11) yes . . .
C79 C84 C83 120.2(8) yes . . .
Cl1 C85 C85 108.8(5) yes . . 3_665
Cl2 C86 C86 96.6(11) yes . . 3_666
C7 C8 H8 119.505 no . . .
C9 C8 H8 119.509 no . . .
C8 C9 H9 120.693 no . . .
C10 C9 H9 120.686 no . . .
C9 C10 H10 119.411 no . . .
C11 C10 H10 119.425 no . . .
C10 C11 H11 119.805 no . . .
C12 C11 H11 119.804 no . . .
C7 C12 H12 119.156 no . . .
C11 C12 H12 119.171 no . . .
C13 C14 H14 119.384 no . . .
C15 C14 H14 119.404 no . . .
C14 C15 H15 119.914 no . . .
C16 C15 H15 119.910 no . . .
C15 C16 H16 120.346 no . . .
C17 C16 H16 120.357 no . . .
C16 C17 H17 119.311 no . . .
C18 C17 H17 119.316 no . . .
C13 C18 H18 119.439 no . . .
C17 C18 H18 119.452 no . . .
C19 C20 H20 119.146 no . . .
C21 C20 H20 119.154 no . . .
C20 C21 H21 119.926 no . . .
C22 C21 H21 119.931 no . . .
C21 C22 H22 120.139 no . . .
C23 C22 H22 120.162 no . . .
C22 C23 H23 119.840 no . . .
C24 C23 H23 119.835 no . . .
C19 C24 H24 119.780 no . . .
C23 C24 H24 119.780 no . . .
C25 C26 H26 120.110 no . . .
C27 C26 H26 120.093 no . . .
C26 C27 H27 119.703 no . . .
C28 C27 H27 119.703 no . . .
C27 C28 H28 119.515 no . . .
C29 C28 H28 119.512 no . . .
C28 C29 H29 120.268 no . . .
C30 C29 H29 120.241 no . . .
C25 C30 H30 119.777 no . . .
C29 C30 H30 119.760 no . . .
C31 C32 H32 119.681 no . . .
C33 C32 H32 119.676 no . . .
C32 C33 H33 117.981 no . . .
C34 C33 H33 117.980 no . . .
C33 C34 H34 120.360 no . . .
C35 C34 H34 120.348 no . . .
C34 C35 H35 119.690 no . . .
C36 C35 H35 119.684 no . . .
C31 C36 H36 121.841 no . . .
C35 C36 H36 121.842 no . . .
C37 C38 H38 119.468 no . . .
C39 C38 H38 119.459 no . . .
C38 C39 H39 120.125 no . . .
C40 C39 H39 120.127 no . . .
C39 C40 H40 120.123 no . . .
C41 C40 H40 120.142 no . . .
C40 C41 H41 119.516 no . . .
C42 C41 H41 119.494 no . . .
C37 C42 H42 119.700 no . . .
C41 C42 H42 119.711 no . . .
C49 C50 H50 120.100 no . . .
C51 C50 H50 120.118 no . . .
C50 C51 H51 119.641 no . . .
C52 C51 H51 119.634 no . . .
C51 C52 H52 119.933 no . . .
C53 C52 H52 119.936 no . . .
C52 C53 H53 120.278 no . . .
C54 C53 H53 120.267 no . . .
C49 C54 H54 119.725 no . . .
C53 C54 H54 119.718 no . . .
C55 C56 H56 119.925 no . . .
C57 C56 H56 119.925 no . . .
C56 C57 H57 120.508 no . . .
C58 C57 H57 120.508 no . . .
C57 C58 H58 119.452 no . . .
C59 C58 H58 119.447 no . . .
C58 C59 H59 120.307 no . . .
C60 C59 H59 120.317 no . . .
C55 C60 H60 119.376 no . . .
C59 C60 H60 119.358 no . . .
C61 C62 H62 118.818 no . . .
C63 C62 H62 118.822 no . . .
C62 C63 H63 120.285 no . . .
C64 C63 H63 120.276 no . . .
C63 C64 H64 119.367 no . . .
C65 C64 H64 119.379 no . . .
C64 C65 H65 120.776 no . . .
C66 C65 H65 120.801 no . . .
C61 C66 H66 118.956 no . . .
C65 C66 H66 118.960 no . . .
C67 C68 H68 119.486 no . . .
C69 C68 H68 119.498 no . . .
C68 C69 H69 120.151 no . . .
C70 C69 H69 120.166 no . . .
C69 C70 H70 120.275 no . . .
C71 C70 H70 120.287 no . . .
C70 C71 H71 119.575 no . . .
C72 C71 H71 119.575 no . . .
C67 C72 H72 119.244 no . . .
C71 C72 H72 119.255 no . . .
C73 C74 H74 120.240 no . . .
C75 C74 H74 120.228 no . . .
C74 C75 H75 119.447 no . . .
C76 C75 H75 119.437 no . . .
C75 C76 H76 120.055 no . . .
C77 C76 H76 120.058 no . . .
C76 C77 H77 120.156 no . . .
C78 C77 H77 120.156 no . . .
C73 C78 H78 119.219 no . . .
C77 C78 H78 119.221 no . . .
C79 C80 H80 120.371 no . . .
C81 C80 H80 120.377 no . . .
C80 C81 H81 119.533 no . . .
C82 C81 H81 119.523 no . . .
C81 C82 H82 120.787 no . . .
C83 C82 H82 120.797 no . . .
C82 C83 H83 118.092 no . . .
C84 C83 H83 118.085 no . . .
C79 C84 H84 119.882 no . . .
C83 C84 H84 119.877 no . . .
Cl1 C85 H85A 109.927 no . . .
Cl1 C85 H85B 109.927 no . . .
C85 C85 H85A 109.923 no 3_665 . .
C85 C85 H85B 109.918 no 3_665 . .
H85A C85 H85B 108.315 no . . .
Cl2 C86 H86A 112.449 no . . .
Cl2 C86 H86B 112.437 no . . .
C86 C86 H86A 112.451 no 3_666 . .
C86 C86 H86B 112.440 no 3_666 . .
H86A C86 H86B 109.989 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 Ge1 C7 C8 -28.7(5) no . . . .
C1 Ge1 C7 C12 148.0(4) no . . . .
C1 Ge1 C13 C14 -159.3(4) no . . . .
C1 Ge1 C13 C18 21.3(5) no . . . .
C2 Ge1 C7 C8 -144.6(4) no . . . .
C2 Ge1 C7 C12 32.1(5) no . . . .
C2 Ge1 C13 C14 -40.1(5) no . . . .
C2 Ge1 C13 C18 140.6(4) no . . . .
C7 Ge1 C13 C14 77.5(5) no . . . .
C7 Ge1 C13 C18 -101.9(5) no . . . .
C13 Ge1 C7 C8 96.1(4) no . . . .
C13 Ge1 C7 C12 -87.3(5) no . . . .
C3 Ge2 C19 C20 -27.6(5) no . . . .
C3 Ge2 C19 C24 151.8(4) no . . . .
C3 Ge2 C25 C26 139.7(4) no . . . .
C3 Ge2 C25 C30 -45.2(4) no . . . .
C4 Ge2 C19 C20 -147.3(4) no . . . .
C4 Ge2 C19 C24 32.1(5) no . . . .
C4 Ge2 C25 C26 -100.6(4) no . . . .
C4 Ge2 C25 C30 74.4(4) no . . . .
C19 Ge2 C25 C26 19.4(5) no . . . .
C19 Ge2 C25 C30 -165.6(4) no . . . .
C25 Ge2 C19 C20 93.4(5) no . . . .
C25 Ge2 C19 C24 -87.2(5) no . . . .
C5 Ge3 C31 C32 45.7(6) no . . . .
C5 Ge3 C31 C36 -131.9(5) no . . . .
C5 Ge3 C37 C38 66.6(5) no . . . .
C5 Ge3 C37 C42 -109.0(4) no . . . .
C6 Ge3 C31 C32 -69.0(6) no . . . .
C6 Ge3 C31 C36 113.4(5) no . . . .
C6 Ge3 C37 C38 -175.5(4) no . . . .
C6 Ge3 C37 C42 8.8(5) no . . . .
C31 Ge3 C37 C38 -50.9(5) no . . . .
C31 Ge3 C37 C42 133.4(4) no . . . .
C37 Ge3 C31 C32 167.1(5) no . . . .
C37 Ge3 C31 C36 -10.5(6) no . . . .
C43 Ge4 C49 C50 -146.7(4) no . . . .
C43 Ge4 C49 C54 31.2(5) no . . . .
C43 Ge4 C55 C56 -75.1(5) no . . . .
C43 Ge4 C55 C60 103.3(4) no . . . .
C44 Ge4 C49 C50 -28.0(4) no . . . .
C44 Ge4 C49 C54 150.0(4) no . . . .
C44 Ge4 C55 C56 164.1(4) no . . . .
C44 Ge4 C55 C60 -17.5(5) no . . . .
C49 Ge4 C55 C56 45.2(5) no . . . .
C49 Ge4 C55 C60 -136.4(4) no . . . .
C55 Ge4 C49 C50 91.8(4) no . . . .
C55 Ge4 C49 C54 -90.2(4) no . . . .
C45 Ge5 C61 C62 5.4(6) no . . . .
C45 Ge5 C61 C66 -179.5(4) no . . . .
C45 Ge5 C67 C68 -166.3(4) no . . . .
C45 Ge5 C67 C72 7.1(5) no . . . .
C46 Ge5 C61 C62 122.7(5) no . . . .
C46 Ge5 C61 C66 -62.2(5) no . . . .
C46 Ge5 C67 C68 77.3(5) no . . . .
C46 Ge5 C67 C72 -109.3(5) no . . . .
C61 Ge5 C67 C68 -47.5(5) no . . . .
C61 Ge5 C67 C72 125.9(5) no . . . .
C67 Ge5 C61 C62 -113.1(5) no . . . .
C67 Ge5 C61 C66 62.0(6) no . . . .
C47 Ge6 C73 C74 -49.9(5) no . . . .
C47 Ge6 C73 C78 130.9(4) no . . . .
C47 Ge6 C79 C80 119.6(5) no . . . .
C47 Ge6 C79 C84 -63.2(5) no . . . .
C48 Ge6 C73 C74 67.5(4) no . . . .
C48 Ge6 C73 C78 -111.7(4) no . . . .
C48 Ge6 C79 C80 1.7(6) no . . . .
C48 Ge6 C79 C84 178.9(4) no . . . .
C73 Ge6 C79 C80 -118.7(5) no . . . .
C73 Ge6 C79 C84 58.5(5) no . . . .
C79 Ge6 C73 C74 -172.1(4) no . . . .
C79 Ge6 C73 C78 8.7(5) no . . . .
Ge1 C7 C8 C9 177.9(4) no . . . .
Ge1 C7 C12 C11 -178.2(4) no . . . .
C8 C7 C12 C11 -1.4(9) no . . . .
C12 C7 C8 C9 1.1(9) no . . . .
C7 C8 C9 C10 -0.5(12) no . . . .
C8 C9 C10 C11 0.0(14) no . . . .
C9 C10 C11 C12 -0.3(15) no . . . .
C10 C11 C12 C7 1.1(13) no . . . .
Ge1 C13 C14 C15 -178.2(5) no . . . .
Ge1 C13 C18 C17 177.5(5) no . . . .
C14 C13 C18 C17 -1.9(11) no . . . .
C18 C13 C14 C15 1.3(11) no . . . .
C13 C14 C15 C16 0.7(13) no . . . .
C14 C15 C16 C17 -2.1(14) no . . . .
C15 C16 C17 C18 1.4(15) no . . . .
C16 C17 C18 C13 0.6(15) no . . . .
Ge2 C19 C20 C21 179.7(5) no . . . .
Ge2 C19 C24 C23 -178.8(5) no . . . .
C20 C19 C24 C23 0.6(12) no . . . .
C24 C19 C20 C21 0.4(11) no . . . .
C19 C20 C21 C22 -0.4(14) no . . . .
C20 C21 C22 C23 -0.6(15) no . . . .
C21 C22 C23 C24 1.6(16) no . . . .
C22 C23 C24 C19 -1.6(16) no . . . .
Ge2 C25 C26 C27 174.0(4) no . . . .
Ge2 C25 C30 C29 -175.2(4) no . . . .
C26 C25 C30 C29 -0.0(9) no . . . .
C30 C25 C26 C27 -1.1(9) no . . . .
C25 C26 C27 C28 1.7(11) no . . . .
C26 C27 C28 C29 -1.1(12) no . . . .
C27 C28 C29 C30 -0.1(12) no . . . .
C28 C29 C30 C25 0.7(11) no . . . .
Ge3 C31 C32 C33 -175.1(7) no . . . .
Ge3 C31 C36 C35 175.0(5) no . . . .
C32 C31 C36 C35 -2.6(13) no . . . .
C36 C31 C32 C33 2.6(16) no . . . .
C31 C32 C33 C34 -4(3) no . . . .
C32 C33 C34 C35 4(4) no . . . .
C33 C34 C35 C36 -4(3) no . . . .
C34 C35 C36 C31 3(2) no . . . .
Ge3 C37 C38 C39 -178.5(5) no . . . .
Ge3 C37 C42 C41 175.8(4) no . . . .
C38 C37 C42 C41 0.0(10) no . . . .
C42 C37 C38 C39 -2.7(10) no . . . .
C37 C38 C39 C40 2.3(14) no . . . .
C38 C39 C40 C41 0.8(14) no . . . .
C39 C40 C41 C42 -3.5(13) no . . . .
C40 C41 C42 C37 3.1(12) no . . . .
Ge4 C49 C50 C51 177.8(4) no . . . .
Ge4 C49 C54 C53 -178.3(4) no . . . .
C50 C49 C54 C53 -0.3(9) no . . . .
C54 C49 C50 C51 -0.2(8) no . . . .
C49 C50 C51 C52 0.1(9) no . . . .
C50 C51 C52 C53 0.6(11) no . . . .
C51 C52 C53 C54 -1.1(11) no . . . .
C52 C53 C54 C49 1.0(10) no . . . .
Ge4 C55 C56 C57 178.2(5) no . . . .
Ge4 C55 C60 C59 -178.5(4) no . . . .
C56 C55 C60 C59 -0.1(9) no . . . .
C60 C55 C56 C57 -0.3(10) no . . . .
C55 C56 C57 C58 -1.3(13) no . . . .
C56 C57 C58 C59 3.3(14) no . . . .
C57 C58 C59 C60 -3.7(13) no . . . .
C58 C59 C60 C55 2.1(11) no . . . .
Ge5 C61 C62 C63 176.9(4) no . . . .
Ge5 C61 C66 C65 -175.7(5) no . . . .
C62 C61 C66 C65 -0.4(11) no . . . .
C66 C61 C62 C63 1.5(10) no . . . .
C61 C62 C63 C64 -2.8(12) no . . . .
C62 C63 C64 C65 2.9(14) no . . . .
C63 C64 C65 C66 -1.8(15) no . . . .
C64 C65 C66 C61 0.5(15) no . . . .
Ge5 C67 C68 C69 177.5(6) no . . . .
Ge5 C67 C72 C71 -179.7(8) no . . . .
C68 C67 C72 C71 -6.1(16) no . . . .
C72 C67 C68 C69 3.8(14) no . . . .
C67 C68 C69 C70 -0.4(16) no . . . .
C68 C69 C70 C71 -0.7(18) no . . . .
C69 C70 C71 C72 -1(3) no . . . .
C70 C71 C72 C67 5(3) no . . . .
Ge6 C73 C74 C75 -179.2(4) no . . . .
Ge6 C73 C78 C77 177.4(4) no . . . .
C74 C73 C78 C77 -1.8(9) no . . . .
C78 C73 C74 C75 0.0(9) no . . . .
C73 C74 C75 C76 0.9(11) no . . . .
C74 C75 C76 C77 -0.1(12) no . . . .
C75 C76 C77 C78 -1.7(12) no . . . .
C76 C77 C78 C73 2.7(11) no . . . .
Ge6 C79 C80 C81 177.6(4) no . . . .
Ge6 C79 C84 C83 -178.4(5) no . . . .
C80 C79 C84 C83 -1.1(11) no . . . .
C84 C79 C80 C81 0.3(10) no . . . .
C79 C80 C81 C82 0.7(12) no . . . .
C80 C81 C82 C83 -0.8(15) no . . . .
C81 C82 C83 C84 -0.0(18) no . . . .
C82 C83 C84 C79 1.0(17) 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_1
_geom_contact_site_symmetry_2
C1 C8 3.381(10) no . .
C1 C18 3.442(9) no . .
C2 C12 3.314(9) no . .
C2 C14 3.434(10) no . .
C3 C20 3.350(9) no . .
C3 C30 3.497(8) no . .
C4 C24 3.393(10) no . .
C5 C32 3.344(11) no . .
C6 C42 3.329(9) no . .
C7 C10 2.764(12) no . .
C8 C11 2.736(14) no . .
C9 C12 2.735(12) no . .
C13 C16 2.788(10) no . .
C14 C17 2.704(14) no . .
C15 C18 2.720(11) no . .
C19 C22 2.780(10) no . .
C19 C26 3.494(8) no . .
C20 C23 2.712(13) no . .
C21 C24 2.738(13) no . .
C25 C28 2.762(9) no . .
C26 C29 2.751(9) no . .
C27 C30 2.737(11) no . .
C31 C34 2.749(19) no . .
C32 C35 2.66(2) no . .
C33 C36 2.714(18) no . .
C36 C37 3.539(14) no . .
C37 C40 2.787(10) no . .
C38 C41 2.727(13) no . .
C39 C42 2.750(11) no . .
C43 C54 3.344(9) no . .
C44 C50 3.284(8) no . .
C44 C60 3.306(8) no . .
C45 C62 3.299(8) no . .
C45 C72 3.299(11) no . .
C47 C74 3.555(9) no . .
C48 C80 3.330(9) no . .
C49 C52 2.780(9) no . .
C50 C53 2.776(10) no . .
C51 C54 2.765(10) no . .
C55 C58 2.768(10) no . .
C56 C59 2.783(11) no . .
C57 C60 2.768(12) no . .
C61 C64 2.786(10) no . .
C62 C65 2.752(12) no . .
C63 C66 2.751(13) no . .
C67 C70 2.764(13) no . .
C68 C71 2.687(15) no . .
C69 C72 2.690(13) no . .
C73 C76 2.774(9) no . .
C74 C77 2.753(11) no . .
C75 C78 2.721(9) no . .
C78 C79 3.434(9) no . .
C79 C82 2.798(12) no . .
C80 C83 2.728(15) no . .
C81 C84 2.716(13) no . .
Cl1 C70 3.543(11) no . 2_655
Cl2 C34 3.44(2) no . 2_555
Cl2 C44 3.573(6) no . 3_666
C16 C40 3.530(12) no . 2_655
C34 Cl2 3.44(2) no . 2_545
C40 C16 3.530(12) no . 2_645
C44 Cl2 3.573(6) no . 3_666
C64 C82 3.530(14) no . 4_454
C70 Cl1 3.543(11) no . 2_645
C82 C64 3.530(14) no . 4_555
Ge1 H8 2.9821 no . .
Ge1 H12 2.9701 no . .
Ge1 H14 2.9552 no . .
Ge1 H18 2.9713 no . .
Ge2 H20 2.9406 no . .
Ge2 H24 2.9533 no . .
Ge2 H26 2.9708 no . .
Ge2 H30 2.9539 no . .
Ge3 H32 2.9279 no . .
Ge3 H36 2.9889 no . .
Ge3 H38 2.9638 no . .
Ge3 H42 2.9621 no . .
Ge4 H50 2.9490 no . .
Ge4 H54 2.9734 no . .
Ge4 H56 2.9649 no . .
Ge4 H60 2.9616 no . .
Ge5 H62 2.9657 no . .
Ge5 H66 2.9921 no . .
Ge5 H68 2.9451 no . .
Ge5 H72 2.9423 no . .
Ge6 H74 2.9808 no . .
Ge6 H78 2.9502 no . .
Ge6 H80 2.9974 no . .
Ge6 H84 2.9562 no . .
Cl1 H85A 2.7811 no . 3_665
Cl1 H85B 2.7811 no . 3_665
Cl2 H86A 2.5305 no . 3_666
Cl2 H86B 2.5306 no . 3_666
C1 H8 2.9550 no . .
C1 H18 2.9819 no . .
C1 H42 3.3453 no . 3_665
C2 H12 2.8965 no . .
C2 H14 3.0431 no . .
C2 H20 3.3213 no . .
C3 H12 3.3389 no . .
C3 H20 2.8993 no . .
C3 H30 3.1293 no . .
C4 H24 2.9847 no . .
C4 H32 3.5063 no . .
C5 H24 3.4507 no . .
C5 H32 3.0288 no . .
C5 H38 3.5426 no . .
C6 H8 3.4740 no . 3_665
C6 H18 3.5769 no . 3_665
C6 H32 3.5027 no . .
C6 H42 2.8222 no . .
C7 H9 3.2649 no . .
C7 H11 3.2438 no . .
C8 H10 3.2306 no . .
C8 H12 3.2195 no . .
C9 H11 3.2108 no . .
C10 H8 3.2304 no . .
C10 H12 3.1775 no . .
C11 H9 3.2085 no . .
C12 H8 3.2210 no . .
C12 H10 3.1840 no . .
C12 H20 3.4199 no . .
C13 H15 3.2646 no . .
C13 H17 3.2324 no . .
C14 H16 3.2277 no . .
C14 H18 3.1970 no . .
C15 H17 3.1672 no . .
C16 H14 3.2197 no . .
C16 H18 3.2117 no . .
C17 H15 3.1648 no . .
C18 H14 3.1895 no . .
C18 H16 3.2295 no . .
C19 H21 3.2524 no . .
C19 H23 3.2407 no . .
C19 H26 3.0195 no . .
C20 H22 3.2126 no . .
C20 H24 3.2003 no . .
C21 H23 3.1869 no . .
C22 H20 3.1986 no . .
C22 H24 3.2436 no . .
C23 H21 3.1933 no . .
C24 H20 3.1961 no . .
C24 H22 3.2487 no . .
C24 H26 3.2833 no . .
C24 H32 3.3444 no . .
C25 H27 3.2467 no . .
C25 H29 3.2550 no . .
C26 H28 3.2214 no . .
C26 H30 3.2294 no . .
C27 H29 3.1987 no . .
C28 H26 3.2190 no . .
C28 H30 3.2228 no . .
C29 H27 3.1967 no . .
C30 H26 3.2304 no . .
C30 H28 3.2272 no . .
C31 H33 3.2002 no . .
C31 H35 3.2355 no . .
C31 H38 3.4273 no . .
C32 H24 3.1021 no . .
C32 H34 3.1369 no . .
C32 H36 3.2057 no . .
C33 H24 3.5074 no . .
C33 H35 3.0791 no . .
C34 H32 3.1105 no . .
C34 H36 3.2996 no . .
C35 H33 3.0933 no . .
C36 H32 3.1946 no . .
C36 H34 3.2993 no . .
C36 H38 3.3020 no . .
C37 H36 3.0947 no . .
C37 H39 3.2688 no . .
C37 H41 3.2398 no . .
C38 H36 3.1047 no . .
C38 H40 3.2342 no . .
C38 H42 3.2217 no . .
C39 H41 3.1999 no . .
C40 H38 3.2261 no . .
C40 H42 3.2308 no . .
C41 H39 3.2031 no . .
C42 H38 3.2169 no . .
C42 H40 3.2378 no . .
C43 H54 2.9280 no . .
C43 H80 3.3447 no . 3_666
C44 H50 2.8438 no . .
C44 H60 2.8108 no . .
C44 H62 3.2748 no . .
C44 H72 3.2481 no . .
C45 H50 3.2495 no . .
C45 H60 3.3021 no . .
C45 H62 2.7806 no . .
C45 H72 2.7814 no . .
C46 H66 3.4848 no . .
C47 H74 3.2480 no . .
C47 H84 3.4450 no . .
C48 H54 3.4086 no . 3_666
C48 H74 3.5295 no . .
C48 H80 2.8436 no . .
C49 H51 3.2558 no . .
C49 H53 3.2577 no . .
C49 H56 3.3697 no . .
C50 H52 3.2414 no . .
C50 H54 3.2505 no . .
C51 H53 3.2408 no . .
C52 H50 3.2381 no . .
C52 H54 3.2546 no . .
C53 H51 3.2433 no . .
C54 H50 3.2530 no . .
C54 H52 3.2530 no . .
C54 H56 3.5036 no . .
C55 H57 3.2634 no . .
C55 H59 3.2579 no . .
C56 H58 3.2500 no . .
C56 H60 3.2499 no . .
C57 H59 3.2612 no . .
C58 H56 3.2556 no . .
C58 H60 3.2135 no . .
C59 H57 3.2577 no . .
C60 H56 3.2525 no . .
C60 H58 3.2146 no . .
C61 H63 3.2673 no . .
C61 H65 3.2809 no . .
C61 H68 3.3187 no . .
C62 H64 3.2054 no . .
C62 H66 3.2230 no . .
C63 H65 3.2374 no . .
C64 H62 3.1986 no . .
C64 H66 3.2281 no . .
C65 H63 3.2396 no . .
C66 H62 3.2240 no . .
C66 H64 3.2291 no . .
C66 H68 3.0633 no . .
C67 H66 3.5997 no . .
C67 H69 3.2403 no . .
C67 H71 3.2147 no . .
C68 H66 3.2698 no . .
C68 H70 3.2284 no . .
C68 H72 3.1525 no . .
C69 H71 3.1506 no . .
C70 H68 3.2176 no . .
C70 H72 3.1860 no . .
C71 H69 3.1477 no . .
C72 H68 3.1506 no . .
C72 H70 3.2060 no . .
C73 H75 3.2454 no . .
C73 H77 3.2471 no . .
C73 H84 3.4580 no . .
C74 H76 3.2372 no . .
C74 H78 3.2219 no . .
C75 H77 3.2043 no . .
C76 H74 3.2365 no . .
C76 H78 3.2118 no . .
C77 H75 3.1977 no . .
C78 H74 3.2237 no . .
C78 H76 3.2223 no . .
C78 H84 3.3865 no . .
C79 H78 2.9297 no . .
C79 H81 3.2554 no . .
C79 H83 3.2411 no . .
C80 H82 3.2835 no . .
C80 H84 3.2357 no . .
C81 H83 3.1541 no . .
C82 H80 3.2797 no . .
C82 H84 3.1778 no . .
C83 H81 3.1464 no . .
C84 H78 2.9840 no . .
C84 H80 3.2400 no . .
C84 H82 3.1962 no . .
H8 H9 2.3296 no . .
H8 H42 3.3375 no . 3_665
H9 H10 2.3235 no . .
H10 H11 2.2595 no . .
H11 H12 2.2887 no . .
H12 H14 3.4292 no . .
H12 H20 3.0407 no . .
H14 H15 2.3092 no . .
H15 H16 2.3069 no . .
H16 H17 2.2576 no . .
H17 H18 2.3259 no . .
H20 H21 2.3154 no . .
H21 H22 2.2749 no . .
H22 H23 2.3136 no . .
H23 H24 2.3271 no . .
H23 H33 3.2884 no . .
H24 H26 3.2736 no . .
H24 H32 2.5863 no . .
H24 H33 3.2911 no . .
H26 H27 2.3249 no . .
H27 H28 2.2752 no . .
H28 H29 2.2931 no . .
H29 H30 2.3357 no . .
H32 H33 2.2762 no . .
H33 H34 2.1372 no . .
H34 H35 2.3180 no . .
H35 H36 2.4026 no . .
H36 H38 2.8759 no . .
H38 H39 2.3250 no . .
H39 H40 2.3072 no . .
H40 H41 2.2929 no . .
H41 H42 2.3180 no . .
H50 H51 2.3300 no . .
H50 H62 3.2668 no . .
H51 H52 2.2944 no . .
H52 H53 2.3453 no . .
H53 H54 2.3223 no . .
H54 H56 3.2453 no . .
H56 H57 2.3333 no . .
H57 H58 2.3428 no . .
H58 H59 2.3049 no . .
H59 H60 2.3102 no . .
H60 H72 3.0952 no . .
H62 H63 2.3047 no . .
H63 H64 2.2882 no . .
H64 H65 2.3330 no . .
H65 H66 2.3169 no . .
H66 H68 2.4915 no . .
H68 H69 2.3282 no . .
H69 H70 2.2989 no . .
H70 H71 2.2477 no . .
H71 H72 2.3188 no . .
H74 H75 2.3147 no . .
H75 H76 2.2989 no . .
H76 H77 2.2957 no . .
H77 H78 2.3199 no . .
H78 H84 2.8903 no . .
H80 H81 2.3418 no . .
H81 H82 2.3377 no . .
H82 H83 2.2115 no . .
H83 H84 2.2847 no . .
H85A H85A 2.8178 no . 3_665
H85A H85B 2.3271 no . 3_665
H85B H85B 2.8177 no . 3_665
H86A H86A 2.6962 no . 3_666
H86A H86B 2.1662 no . 3_666
H86B H86B 2.6963 no . 3_666
Ge1 H75 3.2788 no . 2_555
Ge4 H17 3.5457 no . 2_645
Ge4 H29 3.3619 no . .
Cl1 H52 3.0006 no . .
Cl1 H70 2.9385 no . 2_655
Cl1 H71 3.2195 no . 2_655
Cl1 H76 3.0635 no . 4_554
Cl2 H9 3.5432 no . 2_545
Cl2 H10 2.8326 no . 2_545
Cl2 H28 2.9196 no . .
Cl2 H34 2.9572 no . 2_555
Cl2 H60 3.0804 no . 3_666
C1 H75 3.0553 no . 2_555
C1 H85A 3.2184 no . .
C2 H75 3.1921 no . 2_555
C2 H85A 2.7802 no . .
C3 H85A 2.8965 no . .
C4 H51 3.5328 no . .
C4 H63 3.3861 no . .
C4 H85B 2.8924 no . 3_665
C5 H51 3.2558 no . .
C5 H63 3.4371 no . .
C5 H85B 2.8179 no . 3_665
C6 H59 3.3429 no . 4_454
C6 H75 3.4494 no . 4_554
C6 H85A 3.4937 no . 3_665
C6 H85B 3.3868 no . 3_665
C7 H74 3.4052 no . 2_555
C7 H75 3.1353 no . 2_555
C8 H58 3.5852 no . 2_655
C8 H74 3.2580 no . 2_555
C8 H75 3.4573 no . 2_555
C9 H74 3.1434 no . 2_555
C10 H27 3.4058 no . 2_555
C10 H28 3.3398 no . 2_555
C10 H74 3.1529 no . 2_555
C11 H27 3.4127 no . 2_555
C11 H74 3.2791 no . 2_555
C11 H82 3.5981 no . 3_666
C12 H74 3.3818 no . 2_555
C12 H81 3.4954 no . 3_666
C13 H53 3.3569 no . .
C14 H53 3.0290 no . .
C15 H40 3.5078 no . 2_655
C15 H53 3.3529 no . .
C15 H54 3.2823 no . .
C15 H78 3.2450 no . 3_666
C16 H40 3.2306 no . 2_655
C17 H50 3.4550 no . 2_655
C17 H72 3.4465 no . 2_655
C18 H71 3.2352 no . 2_655
C20 H66 3.1492 no . 2_555
C21 H66 3.0244 no . 2_555
C22 H22 3.1378 no . 3_565
C22 H69 3.5160 no . 4_454
C23 H22 3.5525 no . 3_565
C23 H83 3.4616 no . 4_454
C23 H84 3.4145 no . 4_454
C24 H83 3.3067 no . 4_454
C25 H63 3.2666 no . .
C26 H63 3.1190 no . .
C26 H65 3.2205 no . 2_555
C26 H83 3.5688 no . 4_454
C27 H35 2.9025 no . 2_555
C27 H63 3.4549 no . .
C27 H82 3.5761 no . 4_454
C28 H10 3.3214 no . 2_545
C28 H34 3.5802 no . 2_555
C28 H35 2.8991 no . 2_555
C28 H62 3.3418 no . .
C29 H62 3.1812 no . .
C29 H80 3.1304 no . 3_666
C30 H62 3.4582 no . .
C30 H80 3.3668 no . 3_666
C31 H59 2.8449 no . 4_454
C31 H64 3.5190 no . .
C32 H59 3.2746 no . 4_454
C34 H64 3.3484 no . .
C35 H28 3.4349 no . 2_545
C35 H59 3.4792 no . 4_454
C35 H64 3.0036 no . .
C36 H59 2.9190 no . 4_454
C36 H64 3.1554 no . .
C37 H51 3.3194 no . .
C38 H51 3.4911 no . .
C40 H16 3.1706 no . 2_645
C40 H54 3.4805 no . 2_645
C40 H56 3.3594 no . 2_645
C41 H16 3.2904 no . 2_645
C41 H54 3.5034 no . 2_645
C41 H56 2.9201 no . 2_645
C42 H51 3.5559 no . .
C42 H56 3.5131 no . 2_645
C43 H29 2.9984 no . .
C43 H86A 3.0845 no . 3_666
C44 H29 3.1984 no . .
C44 H86B 2.8813 no . .
C45 H86B 2.8689 no . .
C46 H21 3.2044 no . 2_545
C46 H86A 3.4426 no . .
C46 H86B 3.4770 no . .
C47 H21 3.1185 no . 2_545
C47 H86A 3.1701 no . .
C48 H29 3.4069 no . 3_666
C48 H86A 2.9116 no . .
C49 H17 3.5421 no . 2_645
C49 H29 3.4910 no . .
C49 H30 3.1969 no . .
C50 H16 3.3611 no . 2_645
C50 H17 3.1669 no . 2_645
C50 H30 3.3319 no . .
C51 H16 3.4740 no . 2_645
C51 H30 3.4026 no . .
C51 H76 3.5165 no . 4_554
C51 H77 3.1516 no . 4_554
C52 H30 3.3484 no . .
C52 H70 3.5038 no . 2_655
C52 H76 3.3113 no . 4_554
C52 H77 3.0811 no . 4_554
C53 H30 3.2249 no . .
C53 H40 3.4355 no . 2_655
C54 H30 3.1344 no . .
C54 H40 3.2764 no . 2_655
C55 H9 3.3147 no . 4_565
C55 H17 3.1447 no . 2_645
C55 H18 3.5724 no . 2_645
C56 H9 3.4500 no . 4_565
C56 H41 3.5019 no . 2_655
C57 H9 3.4658 no . 4_565
C57 H58 3.1740 no . 3_766
C58 H8 3.4520 no . 2_645
C58 H9 3.3114 no . 4_565
C58 H18 3.2194 no . 2_645
C58 H58 3.0059 no . 3_766
C59 H9 3.2179 no . 4_565
C59 H18 2.8736 no . 2_645
C60 H9 3.1888 no . 4_565
C60 H17 3.3919 no . 2_645
C60 H18 3.0826 no . 2_645
C61 H11 3.1452 no . 2_545
C61 H38 3.5102 no . .
C62 H11 3.2719 no . 2_545
C62 H38 2.9697 no . .
C63 H11 3.4091 no . 2_545
C63 H38 2.8538 no . .
C63 H82 3.3660 no . 4_454
C64 H11 3.4447 no . 2_545
C64 H38 3.2288 no . .
C64 H81 3.3866 no . 4_454
C64 H82 3.1039 no . 4_454
C65 H11 3.3121 no . 2_545
C65 H81 3.5348 no . 4_454
C66 H11 3.1495 no . 2_545
C67 H39 3.1916 no . .
C68 H23 3.4438 no . 4_555
C68 H39 3.3136 no . .
C69 H23 3.4996 no . 4_555
C70 H77 3.4940 no . 3_656
C72 H39 3.3463 no . .
C73 H15 3.5962 no . 3_666
C73 H21 3.2336 no . 2_545
C74 H20 3.4726 no . 2_545
C74 H21 3.1170 no . 2_545
C74 H42 3.4886 no . 4_455
C75 H20 3.3513 no . 2_545
C75 H42 3.0149 no . 4_455
C76 H42 3.2934 no . 4_455
C76 H51 3.4690 no . 4_455
C76 H52 3.3697 no . 4_455
C76 H70 3.5641 no . 3_656
C77 H16 3.3852 no . 3_666
C77 H51 3.4851 no . 4_455
C77 H52 3.5172 no . 4_455
C77 H69 3.4751 no . 3_656
C77 H70 3.2025 no . 3_656
C78 H15 3.0944 no . 3_666
C78 H16 3.5054 no . 3_666
C78 H69 3.5514 no . 3_656
C79 H15 3.4428 no . 3_666
C79 H34 3.5947 no . 4_555
C80 H14 3.1201 no . 3_666
C80 H15 3.3085 no . 3_666
C80 H34 3.4352 no . 4_555
C81 H12 3.4160 no . 3_666
C81 H14 3.0382 no . 3_666
C81 H64 3.0995 no . 4_555
C82 H64 3.0277 no . 4_555
C83 H26 3.4891 no . 4_555
C84 H23 3.4574 no . 4_555
C85 H76 3.2875 no . 2_555
H8 C58 3.4520 no . 2_655
H8 H58 2.7632 no . 2_655
H9 Cl2 3.5432 no . 2_555
H9 C55 3.3147 no . 4_464
H9 C56 3.4500 no . 4_464
H9 C57 3.4658 no . 4_464
H9 C58 3.3114 no . 4_464
H9 C59 3.2179 no . 4_464
H9 C60 3.1888 no . 4_464
H9 H74 3.5759 no . 2_555
H10 Cl2 2.8326 no . 2_555
H10 C28 3.3214 no . 2_555
H10 H27 3.2143 no . 2_555
H10 H28 2.5800 no . 2_555
H10 H74 3.5886 no . 2_555
H11 C61 3.1452 no . 2_555
H11 C62 3.2719 no . 2_555
H11 C63 3.4091 no . 2_555
H11 C64 3.4447 no . 2_555
H11 C65 3.3121 no . 2_555
H11 C66 3.1495 no . 2_555
H11 H27 3.2253 no . 2_555
H11 H28 3.5774 no . 2_555
H11 H66 3.5751 no . 2_555
H11 H82 3.2855 no . 3_666
H12 C81 3.4160 no . 3_666
H12 H81 2.7099 no . 3_666
H12 H82 3.3331 no . 3_666
H14 C80 3.1201 no . 3_666
H14 C81 3.0382 no . 3_666
H14 H53 3.1382 no . .
H14 H54 3.5463 no . .
H14 H80 3.0319 no . 3_666
H14 H81 2.8746 no . 3_666
H15 C73 3.5962 no . 3_666
H15 C78 3.0944 no . 3_666
H15 C79 3.4428 no . 3_666
H15 C80 3.3085 no . 3_666
H15 H40 3.5706 no . 2_655
H15 H41 3.1881 no . 2_655
H15 H54 2.9305 no . .
H15 H78 2.6481 no . 3_666
H15 H80 3.2699 no . 3_666
H16 C40 3.1706 no . 2_655
H16 C41 3.2904 no . 2_655
H16 C50 3.3611 no . 2_655
H16 C51 3.4740 no . 2_655
H16 C77 3.3852 no . 3_666
H16 C78 3.5054 no . 3_666
H16 H40 3.1279 no . 2_655
H16 H41 3.2819 no . 2_655
H16 H50 3.1279 no . 2_655
H16 H51 3.3256 no . 2_655
H16 H77 3.0841 no . 3_666
H16 H78 3.3259 no . 3_666
H17 Ge4 3.5457 no . 2_655
H17 C49 3.5421 no . 2_655
H17 C50 3.1669 no . 2_655
H17 C55 3.1447 no . 2_655
H17 C60 3.3919 no . 2_655
H17 H50 2.6995 no . 2_655
H17 H60 3.5783 no . 2_655
H17 H72 2.9796 no . 2_655
H18 C55 3.5724 no . 2_655
H18 C58 3.2194 no . 2_655
H18 C59 2.8736 no . 2_655
H18 C60 3.0826 no . 2_655
H18 H59 3.0685 no . 2_655
H18 H60 3.4146 no . 2_655
H18 H71 3.0973 no . 2_655
H18 H72 3.3574 no . 2_655
H20 C74 3.4726 no . 2_555
H20 C75 3.3513 no . 2_555
H20 H65 3.5239 no . 2_555
H20 H66 3.0969 no . 2_555
H20 H74 3.3843 no . 2_555
H20 H75 3.1551 no . 2_555
H21 C46 3.2044 no . 2_555
H21 C47 3.1185 no . 2_555
H21 C73 3.2336 no . 2_555
H21 C74 3.1170 no . 2_555
H21 H66 2.8828 no . 2_555
H21 H68 3.5582 no . 2_555
H21 H74 3.1857 no . 2_555
H22 C22 3.1378 no . 3_565
H22 C23 3.5525 no . 3_565
H22 H22 2.3651 no . 3_565
H22 H23 3.2078 no . 3_565
H22 H68 3.5045 no . 2_555
H22 H69 3.2635 no . 4_454
H22 H84 3.4810 no . 2_555
H23 C68 3.4438 no . 4_454
H23 C69 3.4996 no . 4_454
H23 C84 3.4574 no . 4_454
H23 H22 3.2078 no . 3_565
H23 H83 3.4641 no . 4_454
H23 H84 2.8913 no . 4_454
H24 H83 3.1790 no . 4_454
H26 C83 3.4891 no . 4_454
H26 H63 3.3293 no . .
H26 H65 3.1291 no . 2_555
H26 H82 3.2068 no . 4_454
H26 H83 2.7177 no . 4_454
H27 C10 3.4058 no . 2_545
H27 C11 3.4127 no . 2_545
H27 H10 3.2143 no . 2_545
H27 H11 3.2253 no . 2_545
H27 H35 2.7124 no . 2_555
H27 H82 3.1185 no . 4_454
H28 Cl2 2.9196 no . .
H28 C10 3.3398 no . 2_545
H28 C35 3.4349 no . 2_555
H28 H10 2.5800 no . 2_545
H28 H11 3.5774 no . 2_545
H28 H34 3.1872 no . 2_555
H28 H35 2.6916 no . 2_555
H28 H86B 3.2034 no . .
H29 Ge4 3.3619 no . .
H29 C43 2.9984 no . .
H29 C44 3.1984 no . .
H29 C48 3.4069 no . 3_666
H29 C49 3.4910 no . .
H29 H62 3.4091 no . .
H29 H80 2.8404 no . 3_666
H29 H86B 3.3717 no . .
H30 C49 3.1969 no . .
H30 C50 3.3319 no . .
H30 C51 3.4026 no . .
H30 C52 3.3484 no . .
H30 C53 3.2249 no . .
H30 C54 3.1344 no . .
H30 H54 3.5598 no . .
H30 H80 3.2660 no . 3_666
H32 H71 3.4962 no . 4_454
H34 Cl2 2.9572 no . 2_545
H34 C28 3.5802 no . 2_545
H34 C79 3.5947 no . 4_454
H34 C80 3.4352 no . 4_454
H34 H28 3.1872 no . 2_545
H34 H80 3.4909 no . 4_454
H34 H86A 3.4849 no . 4_454
H35 C27 2.9025 no . 2_545
H35 C28 2.8991 no . 2_545
H35 H27 2.7124 no . 2_545
H35 H28 2.6916 no . 2_545
H35 H64 3.2329 no . .
H36 H59 3.1570 no . 4_454
H36 H64 3.5123 no . .
H38 C61 3.5102 no . .
H38 C62 2.9697 no . .
H38 C63 2.8538 no . .
H38 C64 3.2288 no . .
H38 H62 3.2281 no . .
H38 H63 3.0892 no . .
H39 C67 3.1916 no . .
H39 C68 3.3136 no . .
H39 C72 3.3463 no . .
H40 C15 3.5078 no . 2_645
H40 C16 3.2306 no . 2_645
H40 C53 3.4355 no . 2_645
H40 C54 3.2764 no . 2_645
H40 H15 3.5706 no . 2_645
H40 H16 3.1279 no . 2_645
H40 H53 3.1378 no . 2_645
H40 H54 2.8438 no . 2_645
H40 H56 3.4473 no . 2_645
H41 C56 3.5019 no . 2_645
H41 H15 3.1881 no . 2_645
H41 H16 3.2819 no . 2_645
H41 H54 2.8940 no . 2_645
H41 H56 2.7334 no . 2_645
H42 C74 3.4886 no . 4_554
H42 C75 3.0149 no . 4_554
H42 C76 3.2934 no . 4_554
H42 H75 3.0386 no . 4_554
H42 H76 3.4929 no . 4_554
H50 C17 3.4550 no . 2_645
H50 H16 3.1279 no . 2_645
H50 H17 2.6995 no . 2_645
H51 C4 3.5328 no . .
H51 C5 3.2558 no . .
H51 C37 3.3194 no . .
H51 C38 3.4911 no . .
H51 C42 3.5559 no . .
H51 C76 3.4690 no . 4_554
H51 C77 3.4851 no . 4_554
H51 H16 3.3256 no . 2_645
H51 H76 3.0636 no . 4_554
H51 H77 3.0780 no . 4_554
H52 Cl1 3.0006 no . .
H52 C76 3.3697 no . 4_554
H52 C77 3.5172 no . 4_554
H52 H70 3.0978 no . 2_655
H52 H76 2.6585 no . 4_554
H52 H77 2.9652 no . 4_554
H52 H85B 3.0193 no . 3_665
H53 C13 3.3569 no . .
H53 C14 3.0290 no . .
H53 C15 3.3529 no . .
H53 H14 3.1382 no . .
H53 H40 3.1378 no . 2_655
H53 H70 3.3700 no . 2_655
H53 H71 3.2604 no . 2_655
H54 C15 3.2823 no . .
H54 C40 3.4805 no . 2_655
H54 C41 3.5034 no . 2_655
H54 H14 3.5463 no . .
H54 H15 2.9305 no . .
H54 H30 3.5598 no . .
H54 H40 2.8438 no . 2_655
H54 H41 2.8940 no . 2_655
H56 C40 3.3594 no . 2_655
H56 C41 2.9201 no . 2_655
H56 C42 3.5131 no . 2_655
H56 H40 3.4473 no . 2_655
H56 H41 2.7334 no . 2_655
H57 H58 2.8110 no . 3_766
H58 C8 3.5852 no . 2_645
H58 C57 3.1740 no . 3_766
H58 C58 3.0059 no . 3_766
H58 H8 2.7632 no . 2_645
H58 H57 2.8110 no . 3_766
H58 H58 2.4407 no . 3_766
H59 C6 3.3429 no . 4_555
H59 C31 2.8449 no . 4_555
H59 C32 3.2746 no . 4_555
H59 C35 3.4792 no . 4_555
H59 C36 2.9190 no . 4_555
H59 H18 3.0685 no . 2_645
H59 H36 3.1570 no . 4_555
H60 Cl2 3.0804 no . 3_666
H60 H17 3.5783 no . 2_645
H60 H18 3.4146 no . 2_645
H62 C28 3.3418 no . .
H62 C29 3.1812 no . .
H62 C30 3.4582 no . .
H62 H29 3.4091 no . .
H62 H38 3.2281 no . .
H63 C4 3.3861 no . .
H63 C5 3.4371 no . .
H63 C25 3.2666 no . .
H63 C26 3.1190 no . .
H63 C27 3.4549 no . .
H63 H26 3.3293 no . .
H63 H38 3.0892 no . .
H63 H82 3.2750 no . 4_454
H64 C31 3.5190 no . .
H64 C34 3.3484 no . .
H64 C35 3.0036 no . .
H64 C36 3.1554 no . .
H64 C81 3.0995 no . 4_454
H64 C82 3.0277 no . 4_454
H64 H35 3.2329 no . .
H64 H36 3.5123 no . .
H64 H81 2.9625 no . 4_454
H64 H82 2.8347 no . 4_454
H65 C26 3.2205 no . 2_545
H65 H20 3.5239 no . 2_545
H65 H26 3.1291 no . 2_545
H65 H81 3.2338 no . 4_454
H66 C20 3.1492 no . 2_545
H66 C21 3.0244 no . 2_545
H66 H11 3.5751 no . 2_545
H66 H20 3.0969 no . 2_545
H66 H21 2.8828 no . 2_545
H68 H21 3.5582 no . 2_545
H68 H22 3.5045 no . 2_545
H69 C22 3.5160 no . 4_555
H69 C77 3.4751 no . 3_656
H69 C78 3.5514 no . 3_656
H69 H22 3.2635 no . 4_555
H69 H77 3.2514 no . 3_656
H69 H78 3.3460 no . 3_656
H70 Cl1 2.9385 no . 2_645
H70 C52 3.5038 no . 2_645
H70 C76 3.5641 no . 3_656
H70 C77 3.2025 no . 3_656
H70 H52 3.0978 no . 2_645
H70 H53 3.3700 no . 2_645
H70 H76 3.4076 no . 3_656
H70 H77 2.7534 no . 3_656
H71 Cl1 3.2195 no . 2_645
H71 C18 3.2352 no . 2_645
H71 H18 3.0973 no . 2_645
H71 H32 3.4962 no . 4_555
H71 H53 3.2604 no . 2_645
H72 C17 3.4465 no . 2_645
H72 H17 2.9796 no . 2_645
H72 H18 3.3574 no . 2_645
H74 C7 3.4052 no . 2_545
H74 C8 3.2580 no . 2_545
H74 C9 3.1434 no . 2_545
H74 C10 3.1529 no . 2_545
H74 C11 3.2791 no . 2_545
H74 C12 3.3818 no . 2_545
H74 H9 3.5759 no . 2_545
H74 H10 3.5886 no . 2_545
H74 H20 3.3843 no . 2_545
H74 H21 3.1857 no . 2_545
H75 Ge1 3.2788 no . 2_545
H75 C1 3.0553 no . 2_545
H75 C2 3.1921 no . 2_545
H75 C6 3.4494 no . 4_455
H75 C7 3.1353 no . 2_545
H75 C8 3.4573 no . 2_545
H75 H20 3.1551 no . 2_545
H75 H42 3.0386 no . 4_455
H75 H85A 3.2772 no . 2_545
H76 Cl1 3.0635 no . 4_455
H76 C51 3.5165 no . 4_455
H76 C52 3.3113 no . 4_455
H76 C85 3.2875 no . 2_545
H76 H42 3.4929 no . 4_455
H76 H51 3.0636 no . 4_455
H76 H52 2.6585 no . 4_455
H76 H70 3.4076 no . 3_656
H76 H85A 3.0521 no . 2_545
H76 H85B 2.7404 no . 2_545
H77 C51 3.1516 no . 4_455
H77 C52 3.0811 no . 4_455
H77 C70 3.4940 no . 3_656
H77 H16 3.0841 no . 3_666
H77 H51 3.0780 no . 4_455
H77 H52 2.9652 no . 4_455
H77 H69 3.2514 no . 3_656
H77 H70 2.7534 no . 3_656
H78 C15 3.2450 no . 3_666
H78 H15 2.6481 no . 3_666
H78 H16 3.3259 no . 3_666
H78 H69 3.3460 no . 3_656
H80 C29 3.1304 no . 3_666
H80 C30 3.3668 no . 3_666
H80 H14 3.0319 no . 3_666
H80 H15 3.2699 no . 3_666
H80 H29 2.8404 no . 3_666
H80 H30 3.2660 no . 3_666
H80 H34 3.4909 no . 4_555
H81 C12 3.4954 no . 3_666
H81 C64 3.3866 no . 4_555
H81 C65 3.5348 no . 4_555
H81 H12 2.7099 no . 3_666
H81 H14 2.8746 no . 3_666
H81 H64 2.9625 no . 4_555
H81 H65 3.2338 no . 4_555
H82 C11 3.5981 no . 3_666
H82 C27 3.5761 no . 4_555
H82 C63 3.3660 no . 4_555
H82 C64 3.1039 no . 4_555
H82 H11 3.2855 no . 3_666
H82 H12 3.3331 no . 3_666
H82 H26 3.2068 no . 4_555
H82 H27 3.1185 no . 4_555
H82 H63 3.2750 no . 4_555
H82 H64 2.8347 no . 4_555
H83 C23 3.4616 no . 4_555
H83 C24 3.3067 no . 4_555
H83 C26 3.5688 no . 4_555
H83 H23 3.4641 no . 4_555
H83 H24 3.1790 no . 4_555
H83 H26 2.7177 no . 4_555
H84 C23 3.4145 no . 4_555
H84 H22 3.4810 no . 2_545
H84 H23 2.8913 no . 4_555
H85A C1 3.2184 no . .
H85A C2 2.7802 no . .
H85A C3 2.8965 no . .
H85A C6 3.4937 no . 3_665
H85A H75 3.2772 no . 2_555
H85A H76 3.0521 no . 2_555
H85B C4 2.8924 no . 3_665
H85B C5 2.8179 no . 3_665
H85B C6 3.3868 no . 3_665
H85B H52 3.0193 no . 3_665
H85B H76 2.7404 no . 2_555
H86A C43 3.0845 no . 3_666
H86A C46 3.4426 no . .
H86A C47 3.1701 no . .
H86A C48 2.9116 no . .
H86A H34 3.4849 no . 4_555
H86B C44 2.8813 no . .
H86B C45 2.8689 no . .
H86B C46 3.4770 no . .
H86B H28 3.2034 no . .
H86B H29 3.3717 no . .

#==============================================================================

#==============================================================================
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 -0.003 0.490 0.269 188 28 ' '
2 0.003 0.510 0.731 188 28 ' '
3 0.497 0.010 0.769 188 28 ' '
4 0.503 -0.010 0.231 188 28 ' '
_platon_squeeze_details          
;
;

#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 983324'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_hexadecaphenylGe(8)pericyc

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C112 H80 Ge8'
_chemical_formula_moiety         'C112 H80 Ge8'
_chemical_formula_weight         2006.58
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 1/2+X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   16.3660(3)
_cell_length_b                   14.3633(3)
_cell_length_c                   19.9317(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.9576(7)
_cell_angle_gamma                90.0000
_cell_volume                     4599.90(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    59612
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2016.00
_exptl_absorpt_coefficient_mu    2.624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.579
_exptl_absorpt_correction_T_max  0.949

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            77499
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             10530
_reflns_number_gt                9065
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0363
_refine_ls_wR_factor_ref         0.0918
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         10530
_refine_ls_number_parameters     541
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0536P)²+0.6557P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         0.760
_refine_diff_density_min         -0.710
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ge Ge 0.1547 1.8001
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.432744(14) 0.717942(15) 0.403701(12) 0.02003(7) Uani 1.0 4 d . . .
Ge2 Ge 0.422985(14) 0.490793(16) 0.212026(12) 0.02057(7) Uani 1.0 4 d . . .
Ge3 Ge 0.731273(14) 0.437029(16) 0.253747(12) 0.02053(7) Uani 1.0 4 d . . .
Ge4 Ge 0.819473(14) 0.368724(16) 0.503084(12) 0.02103(7) Uani 1.0 4 d . . .
C1 C 0.27258(14) 0.67901(15) 0.46163(12) 0.0230(5) Uani 1.0 4 d . . .
C2 C 0.33176(14) 0.70085(15) 0.43727(12) 0.0239(5) Uani 1.0 4 d . . .
C3 C 0.42252(13) 0.64231(16) 0.32356(12) 0.0231(5) Uani 1.0 4 d . . .
C4 C 0.42151(13) 0.58524(16) 0.27902(12) 0.0231(5) Uani 1.0 4 d . . .
C5 C 0.53943(14) 0.46549(16) 0.21671(12) 0.0229(5) Uani 1.0 4 d . . .
C6 C 0.61290(14) 0.45087(15) 0.22730(12) 0.0226(5) Uani 1.0 4 d . . .
C7 C 0.75750(14) 0.42290(16) 0.35071(13) 0.0252(5) Uani 1.0 4 d . . .
C8 C 0.78014(13) 0.40570(16) 0.41054(12) 0.0243(5) Uani 1.0 4 d . . .
C9 C 0.52443(14) 0.66719(17) 0.46883(12) 0.0253(5) Uani 1.0 4 d . . .
C10 C 0.55535(16) 0.57854(18) 0.46056(15) 0.0343(6) Uani 1.0 4 d . . .
C11 C 0.62151(18) 0.5437(3) 0.50843(18) 0.0500(9) Uani 1.0 4 d . . .
C12 C 0.65604(19) 0.5957(3) 0.56405(17) 0.0551(9) Uani 1.0 4 d . . .
C13 C 0.62534(19) 0.6828(3) 0.57301(17) 0.0606(10) Uani 1.0 4 d . . .
C14 C 0.56073(18) 0.7195(3) 0.52506(15) 0.0443(8) Uani 1.0 4 d . . .
C15 C 0.44954(14) 0.84906(15) 0.38907(12) 0.0231(5) Uani 1.0 4 d . . .
C16 C 0.39372(17) 0.91480(17) 0.40311(16) 0.0371(7) Uani 1.0 4 d . . .
C17 C 0.41001(19) 1.00954(18) 0.39819(18) 0.0447(8) Uani 1.0 4 d . . .
C18 C 0.48231(17) 1.03813(18) 0.37918(15) 0.0371(7) Uani 1.0 4 d . . .
C19 C 0.53808(17) 0.97348(19) 0.36395(16) 0.0404(7) Uani 1.0 4 d . . .
C20 C 0.52204(16) 0.87930(17) 0.36859(14) 0.0321(6) Uani 1.0 4 d . . .
C21 C 0.36214(14) 0.53673(17) 0.12581(12) 0.0249(5) Uani 1.0 4 d . . .
C22 C 0.32567(15) 0.47325(19) 0.07539(13) 0.0314(6) Uani 1.0 4 d . . .
C23 C 0.27317(17) 0.5048(3) 0.01718(14) 0.0412(7) Uani 1.0 4 d . . .
C24 C 0.25648(17) 0.5980(3) 0.00761(16) 0.0493(8) Uani 1.0 4 d . . .
C25 C 0.29321(18) 0.6617(3) 0.05591(17) 0.0468(8) Uani 1.0 4 d . . .
C26 C 0.34568(16) 0.63159(18) 0.11527(14) 0.0336(6) Uani 1.0 4 d . . .
C27 C 0.36997(14) 0.37749(16) 0.23434(12) 0.0227(5) Uani 1.0 4 d . . .
C28 C 0.41391(15) 0.29432(16) 0.24490(13) 0.0281(6) Uani 1.0 4 d . . .
C29 C 0.37440(17) 0.21217(17) 0.25619(14) 0.0340(6) Uani 1.0 4 d . . .
C30 C 0.29009(17) 0.21244(17) 0.25730(14) 0.0337(6) Uani 1.0 4 d . . .
C31 C 0.24590(15) 0.29437(19) 0.24795(14) 0.0327(6) Uani 1.0 4 d . . .
C32 C 0.28502(14) 0.37691(17) 0.23616(13) 0.0292(6) Uani 1.0 4 d . . .
C33 C 0.78588(14) 0.54753(16) 0.22844(12) 0.0227(5) Uani 1.0 4 d . . .
C34 C 0.76320(15) 0.58530(17) 0.16331(13) 0.0292(6) Uani 1.0 4 d . . .
C35 C 0.80667(15) 0.66106(17) 0.14339(14) 0.0318(6) Uani 1.0 4 d . . .
C36 C 0.87209(16) 0.69896(17) 0.18854(14) 0.0331(6) Uani 1.0 4 d . . .
C37 C 0.89465(19) 0.6623(3) 0.25293(15) 0.0464(8) Uani 1.0 4 d . . .
C38 C 0.85246(17) 0.58641(19) 0.27294(14) 0.0369(7) Uani 1.0 4 d . . .
C39 C 0.77255(14) 0.32603(16) 0.21585(13) 0.0260(5) Uani 1.0 4 d . . .
C40 C 0.74047(17) 0.29252(19) 0.15152(15) 0.0393(7) Uani 1.0 4 d . . .
C41 C 0.77394(19) 0.2125(2) 0.12642(17) 0.0463(8) Uani 1.0 4 d . . .
C42 C 0.84002(19) 0.16800(19) 0.16668(17) 0.0451(8) Uani 1.0 4 d . . .
C43 C 0.87356(19) 0.2013(2) 0.22961(17) 0.0444(8) Uani 1.0 4 d . . .
C44 C 0.84062(16) 0.27999(18) 0.25452(15) 0.0342(6) Uani 1.0 4 d . . .
C45 C 0.86485(14) 0.47299(16) 0.55934(13) 0.0261(5) Uani 1.0 4 d . . .
C46 C 0.89788(18) 0.55013(19) 0.53143(17) 0.0425(7) Uani 1.0 4 d . . .
C47 C 0.9334(2) 0.6222(3) 0.5738(2) 0.0579(10) Uani 1.0 4 d . . .
C48 C 0.93676(18) 0.6178(3) 0.6434(2) 0.0528(9) Uani 1.0 4 d . . .
C49 C 0.90344(19) 0.5417(2) 0.67161(17) 0.0469(8) Uani 1.0 4 d . . .
C50 C 0.86690(18) 0.47058(19) 0.62932(14) 0.0369(6) Uani 1.0 4 d . . .
C51 C 0.89978(14) 0.26958(16) 0.50354(12) 0.0238(5) Uani 1.0 4 d . . .
C52 C 0.90036(15) 0.21381(16) 0.44659(14) 0.0290(6) Uani 1.0 4 d . . .
C53 C 0.95688(16) 0.14172(17) 0.44882(16) 0.0359(7) Uani 1.0 4 d . . .
C54 C 1.01416(16) 0.12476(19) 0.50803(16) 0.0392(7) Uani 1.0 4 d . . .
C55 C 1.01369(16) 0.1786(2) 0.56509(16) 0.0422(7) Uani 1.0 4 d . . .
C56 C 0.95726(15) 0.25108(19) 0.56303(13) 0.0324(6) Uani 1.0 4 d . . .
H10 H 0.5313 0.5418 0.4223 0.0411 Uiso 1.0 4 calc R . .
H11 H 0.6428 0.4834 0.5024 0.0600 Uiso 1.0 4 calc R . .
H12 H 0.7012 0.5716 0.5965 0.0662 Uiso 1.0 4 calc R . .
H13 H 0.6485 0.7182 0.6123 0.0727 Uiso 1.0 4 calc R . .
H14 H 0.5413 0.7808 0.5308 0.0532 Uiso 1.0 4 calc R . .
H16 H 0.3436 0.8953 0.4163 0.0445 Uiso 1.0 4 calc R . .
H17 H 0.3711 1.0542 0.4080 0.0536 Uiso 1.0 4 calc R . .
H18 H 0.4939 1.1027 0.3765 0.0445 Uiso 1.0 4 calc R . .
H19 H 0.5877 0.9935 0.3502 0.0484 Uiso 1.0 4 calc R . .
H20 H 0.5606 0.8350 0.3578 0.0385 Uiso 1.0 4 calc R . .
H22 H 0.3371 0.4086 0.0813 0.0377 Uiso 1.0 4 calc R . .
H23 H 0.2483 0.4615 -0.0166 0.0494 Uiso 1.0 4 calc R . .
H24 H 0.2196 0.6187 -0.0323 0.0591 Uiso 1.0 4 calc R . .
H25 H 0.2827 0.7264 0.0486 0.0561 Uiso 1.0 4 calc R . .
H26 H 0.3703 0.6756 0.1487 0.0403 Uiso 1.0 4 calc R . .
H28 H 0.4718 0.2938 0.2444 0.0338 Uiso 1.0 4 calc R . .
H29 H 0.4051 0.1557 0.2632 0.0408 Uiso 1.0 4 calc R . .
H30 H 0.2627 0.1560 0.2645 0.0405 Uiso 1.0 4 calc R . .
H31 H 0.1883 0.2945 0.2495 0.0392 Uiso 1.0 4 calc R . .
H32 H 0.2540 0.4331 0.2293 0.0350 Uiso 1.0 4 calc R . .
H34 H 0.7178 0.5594 0.1321 0.0350 Uiso 1.0 4 calc R . .
H35 H 0.7910 0.6863 0.0987 0.0381 Uiso 1.0 4 calc R . .
H36 H 0.9017 0.7505 0.1752 0.0397 Uiso 1.0 4 calc R . .
H37 H 0.9396 0.6891 0.2842 0.0556 Uiso 1.0 4 calc R . .
H38 H 0.8694 0.5610 0.3174 0.0443 Uiso 1.0 4 calc R . .
H40 H 0.6952 0.3239 0.1238 0.0472 Uiso 1.0 4 calc R . .
H41 H 0.7512 0.1895 0.0821 0.0556 Uiso 1.0 4 calc R . .
H42 H 0.8624 0.1134 0.1502 0.0542 Uiso 1.0 4 calc R . .
H43 H 0.9197 0.1705 0.2566 0.0533 Uiso 1.0 4 calc R . .
H44 H 0.8647 0.3030 0.2985 0.0410 Uiso 1.0 4 calc R . .
H46 H 0.8961 0.5535 0.4836 0.0510 Uiso 1.0 4 calc R . .
H47 H 0.9556 0.6748 0.5546 0.0695 Uiso 1.0 4 calc R . .
H48 H 0.9619 0.6669 0.6720 0.0634 Uiso 1.0 4 calc R . .
H49 H 0.9057 0.5383 0.7195 0.0562 Uiso 1.0 4 calc R . .
H50 H 0.8428 0.4193 0.6485 0.0443 Uiso 1.0 4 calc R . .
H52 H 0.8614 0.2254 0.4056 0.0348 Uiso 1.0 4 calc R . .
H53 H 0.9563 0.1039 0.4097 0.0431 Uiso 1.0 4 calc R . .
H54 H 1.0537 0.0761 0.5094 0.0470 Uiso 1.0 4 calc R . .
H55 H 1.0522 0.1661 0.6061 0.0507 Uiso 1.0 4 calc R . .
H56 H 0.9578 0.2883 0.6025 0.0389 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ge1 C2 1.913(3) yes . .
Ge1 C3 1.913(3) yes . .
Ge1 C9 1.931(3) yes . .
Ge1 C15 1.933(3) yes . .
Ge2 C4 1.907(3) yes . .
Ge2 C5 1.925(3) yes . .
Ge2 C21 1.931(3) yes . .
Ge2 C27 1.935(3) yes . .
Ge3 C6 1.919(3) yes . .
Ge3 C7 1.909(3) yes . .
Ge3 C33 1.935(3) yes . .
Ge3 C39 1.940(3) yes . .
Ge4 C1 1.907(3) yes . 3_666
Ge4 C8 1.910(3) yes . .
Ge4 C45 1.933(3) yes . .
Ge4 C51 1.937(3) yes . .
C1 C2 1.205(4) yes . .
C3 C4 1.206(4) yes . .
C5 C6 1.199(4) yes . .
C7 C8 1.205(4) yes . .
C9 C10 1.391(4) yes . .
C9 C14 1.386(4) yes . .
C10 C11 1.393(4) yes . .
C11 C12 1.367(5) yes . .
C12 C13 1.372(6) yes . .
C13 C14 1.388(5) yes . .
C15 C16 1.379(4) yes . .
C15 C20 1.395(4) yes . .
C16 C17 1.394(4) yes . .
C17 C18 1.372(5) yes . .
C18 C19 1.376(4) yes . .
C19 C20 1.384(4) yes . .
C21 C22 1.403(4) yes . .
C21 C26 1.397(4) yes . .
C22 C23 1.382(4) yes . .
C23 C24 1.372(5) yes . .
C24 C25 1.381(5) yes . .
C25 C26 1.392(4) yes . .
C27 C28 1.390(4) yes . .
C27 C32 1.398(4) yes . .
C28 C29 1.384(4) yes . .
C29 C30 1.384(4) yes . .
C30 C31 1.375(4) yes . .
C31 C32 1.388(4) yes . .
C33 C34 1.391(4) yes . .
C33 C38 1.385(4) yes . .
C34 C35 1.398(4) yes . .
C35 C36 1.373(4) yes . .
C36 C37 1.371(4) yes . .
C37 C38 1.389(5) yes . .
C39 C40 1.377(4) yes . .
C39 C44 1.395(4) yes . .
C40 C41 1.405(5) yes . .
C41 C42 1.376(4) yes . .
C42 C43 1.357(5) yes . .
C43 C44 1.385(5) yes . .
C45 C46 1.394(4) yes . .
C45 C50 1.389(4) yes . .
C46 C47 1.391(5) yes . .
C47 C48 1.380(6) yes . .
C48 C49 1.388(5) yes . .
C49 C50 1.385(4) yes . .
C51 C52 1.391(4) yes . .
C51 C56 1.392(4) yes . .
C52 C53 1.384(4) yes . .
C53 C54 1.382(4) yes . .
C54 C55 1.377(5) yes . .
C55 C56 1.387(4) yes . .
C10 H10 0.950 no . .
C11 H11 0.950 no . .
C12 H12 0.950 no . .
C13 H13 0.950 no . .
C14 H14 0.950 no . .
C16 H16 0.950 no . .
C17 H17 0.950 no . .
C18 H18 0.950 no . .
C19 H19 0.950 no . .
C20 H20 0.950 no . .
C22 H22 0.950 no . .
C23 H23 0.950 no . .
C24 H24 0.950 no . .
C25 H25 0.950 no . .
C26 H26 0.950 no . .
C28 H28 0.950 no . .
C29 H29 0.950 no . .
C30 H30 0.950 no . .
C31 H31 0.950 no . .
C32 H32 0.950 no . .
C34 H34 0.950 no . .
C35 H35 0.950 no . .
C36 H36 0.950 no . .
C37 H37 0.950 no . .
C38 H38 0.950 no . .
C40 H40 0.950 no . .
C41 H41 0.950 no . .
C42 H42 0.950 no . .
C43 H43 0.950 no . .
C44 H44 0.950 no . .
C46 H46 0.950 no . .
C47 H47 0.950 no . .
C48 H48 0.950 no . .
C49 H49 0.950 no . .
C50 H50 0.950 no . .
C52 H52 0.950 no . .
C53 H53 0.950 no . .
C54 H54 0.950 no . .
C55 H55 0.950 no . .
C56 H56 0.950 no . .

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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
C2 Ge1 C3 105.96(10) yes . . .
C2 Ge1 C9 109.21(10) yes . . .
C2 Ge1 C15 109.56(10) yes . . .
C3 Ge1 C9 106.29(10) yes . . .
C3 Ge1 C15 114.81(11) yes . . .
C9 Ge1 C15 110.77(10) yes . . .
C4 Ge2 C5 104.16(10) yes . . .
C4 Ge2 C21 107.88(10) yes . . .
C4 Ge2 C27 111.80(11) yes . . .
C5 Ge2 C21 116.49(11) yes . . .
C5 Ge2 C27 108.24(10) yes . . .
C21 Ge2 C27 108.30(10) yes . . .
C6 Ge3 C7 108.06(11) yes . . .
C6 Ge3 C33 109.61(10) yes . . .
C6 Ge3 C39 112.73(10) yes . . .
C7 Ge3 C33 108.96(10) yes . . .
C7 Ge3 C39 106.19(10) yes . . .
C33 Ge3 C39 111.12(11) yes . . .
C1 Ge4 C8 108.14(10) yes 3_666 . .
C1 Ge4 C45 107.94(11) yes 3_666 . .
C1 Ge4 C51 108.47(10) yes 3_666 . .
C8 Ge4 C45 111.51(10) yes . . .
C8 Ge4 C51 108.23(10) yes . . .
C45 Ge4 C51 112.42(10) yes . . .
Ge4 C1 C2 173.9(2) yes 3_666 . .
Ge1 C2 C1 171.4(2) yes . . .
Ge1 C3 C4 170.9(2) yes . . .
Ge2 C4 C3 177.1(2) yes . . .
Ge2 C5 C6 172.7(3) yes . . .
Ge3 C6 C5 173.1(3) yes . . .
Ge3 C7 C8 172.3(3) yes . . .
Ge4 C8 C7 175.2(3) yes . . .
Ge1 C9 C10 121.30(18) yes . . .
Ge1 C9 C14 119.9(2) yes . . .
C10 C9 C14 118.8(3) yes . . .
C9 C10 C11 120.0(3) yes . . .
C10 C11 C12 120.4(3) yes . . .
C11 C12 C13 119.9(3) yes . . .
C12 C13 C14 120.5(4) yes . . .
C9 C14 C13 120.3(3) yes . . .
Ge1 C15 C16 121.2(2) yes . . .
Ge1 C15 C20 120.03(18) yes . . .
C16 C15 C20 118.6(3) yes . . .
C15 C16 C17 120.8(3) yes . . .
C16 C17 C18 119.9(3) yes . . .
C17 C18 C19 120.1(3) yes . . .
C18 C19 C20 120.2(3) yes . . .
C15 C20 C19 120.4(3) yes . . .
Ge2 C21 C22 119.50(19) yes . . .
Ge2 C21 C26 121.27(18) yes . . .
C22 C21 C26 118.8(3) yes . . .
C21 C22 C23 120.0(3) yes . . .
C22 C23 C24 120.8(3) yes . . .
C23 C24 C25 120.1(3) yes . . .
C24 C25 C26 120.2(3) yes . . .
C21 C26 C25 120.1(3) yes . . .
Ge2 C27 C28 121.06(18) yes . . .
Ge2 C27 C32 120.17(18) yes . . .
C28 C27 C32 118.7(3) yes . . .
C27 C28 C29 120.9(3) yes . . .
C28 C29 C30 119.9(3) yes . . .
C29 C30 C31 120.0(3) yes . . .
C30 C31 C32 120.4(3) yes . . .
C27 C32 C31 120.2(3) yes . . .
Ge3 C33 C34 120.58(17) yes . . .
Ge3 C33 C38 120.66(19) yes . . .
C34 C33 C38 118.6(3) yes . . .
C33 C34 C35 120.6(3) yes . . .
C34 C35 C36 119.9(3) yes . . .
C35 C36 C37 119.9(3) yes . . .
C36 C37 C38 120.7(3) yes . . .
C33 C38 C37 120.4(3) yes . . .
Ge3 C39 C40 123.41(18) yes . . .
Ge3 C39 C44 118.37(19) yes . . .
C40 C39 C44 118.2(3) yes . . .
C39 C40 C41 120.8(3) yes . . .
C40 C41 C42 119.3(3) yes . . .
C41 C42 C43 120.7(3) yes . . .
C42 C43 C44 120.2(3) yes . . .
C39 C44 C43 120.9(3) yes . . .
Ge4 C45 C46 121.3(2) yes . . .
Ge4 C45 C50 119.77(19) yes . . .
C46 C45 C50 118.9(3) yes . . .
C45 C46 C47 119.9(4) yes . . .
C46 C47 C48 120.5(4) yes . . .
C47 C48 C49 120.0(3) yes . . .
C48 C49 C50 119.4(4) yes . . .
C45 C50 C49 121.2(3) yes . . .
Ge4 C51 C52 121.98(17) yes . . .
Ge4 C51 C56 119.51(19) yes . . .
C52 C51 C56 118.5(3) yes . . .
C51 C52 C53 120.9(3) yes . . .
C52 C53 C54 120.0(3) yes . . .
C53 C54 C55 119.8(3) yes . . .
C54 C55 C56 120.4(3) yes . . .
C51 C56 C55 120.5(3) yes . . .
C9 C10 H10 119.981 no . . .
C11 C10 H10 119.981 no . . .
C10 C11 H11 119.784 no . . .
C12 C11 H11 119.785 no . . .
C11 C12 H12 120.041 no . . .
C13 C12 H12 120.037 no . . .
C12 C13 H13 119.777 no . . .
C14 C13 H13 119.764 no . . .
C9 C14 H14 119.860 no . . .
C13 C14 H14 119.870 no . . .
C15 C16 H16 119.629 no . . .
C17 C16 H16 119.619 no . . .
C16 C17 H17 120.056 no . . .
C18 C17 H17 120.065 no . . .
C17 C18 H18 119.940 no . . .
C19 C18 H18 119.926 no . . .
C18 C19 H19 119.912 no . . .
C20 C19 H19 119.916 no . . .
C15 C20 H20 119.788 no . . .
C19 C20 H20 119.797 no . . .
C21 C22 H22 120.011 no . . .
C23 C22 H22 120.015 no . . .
C22 C23 H23 119.593 no . . .
C24 C23 H23 119.586 no . . .
C23 C24 H24 119.964 no . . .
C25 C24 H24 119.970 no . . .
C24 C25 H25 119.904 no . . .
C26 C25 H25 119.912 no . . .
C21 C26 H26 119.954 no . . .
C25 C26 H26 119.955 no . . .
C27 C28 H28 119.563 no . . .
C29 C28 H28 119.566 no . . .
C28 C29 H29 120.063 no . . .
C30 C29 H29 120.066 no . . .
C29 C30 H30 119.995 no . . .
C31 C30 H30 119.981 no . . .
C30 C31 H31 119.802 no . . .
C32 C31 H31 119.798 no . . .
C27 C32 H32 119.924 no . . .
C31 C32 H32 119.914 no . . .
C33 C34 H34 119.714 no . . .
C35 C34 H34 119.710 no . . .
C34 C35 H35 120.079 no . . .
C36 C35 H35 120.071 no . . .
C35 C36 H36 120.037 no . . .
C37 C36 H36 120.048 no . . .
C36 C37 H37 119.668 no . . .
C38 C37 H37 119.666 no . . .
C33 C38 H38 119.799 no . . .
C37 C38 H38 119.796 no . . .
C39 C40 H40 119.605 no . . .
C41 C40 H40 119.600 no . . .
C40 C41 H41 120.365 no . . .
C42 C41 H41 120.369 no . . .
C41 C42 H42 119.656 no . . .
C43 C42 H42 119.648 no . . .
C42 C43 H43 119.919 no . . .
C44 C43 H43 119.925 no . . .
C39 C44 H44 119.556 no . . .
C43 C44 H44 119.552 no . . .
C45 C46 H46 120.055 no . . .
C47 C46 H46 120.055 no . . .
C46 C47 H47 119.724 no . . .
C48 C47 H47 119.735 no . . .
C47 C48 H48 119.981 no . . .
C49 C48 H48 120.004 no . . .
C48 C49 H49 120.282 no . . .
C50 C49 H49 120.279 no . . .
C45 C50 H50 119.401 no . . .
C49 C50 H50 119.413 no . . .
C51 C52 H52 119.573 no . . .
C53 C52 H52 119.557 no . . .
C52 C53 H53 119.999 no . . .
C54 C53 H53 119.991 no . . .
C53 C54 H54 120.107 no . . .
C55 C54 H54 120.101 no . . .
C54 C55 H55 119.819 no . . .
C56 C55 H55 119.813 no . . .
C51 C56 H56 119.770 no . . .
C55 C56 H56 119.769 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C2 Ge1 C9 C10 97.90(19) no . . . .
C2 Ge1 C9 C14 -82.21(19) no . . . .
C2 Ge1 C15 C16 0.65(19) no . . . .
C2 Ge1 C15 C20 176.03(14) no . . . .
C3 Ge1 C9 C10 -16.0(2) no . . . .
C3 Ge1 C9 C14 163.89(16) no . . . .
C3 Ge1 C15 C16 119.72(16) no . . . .
C3 Ge1 C15 C20 -64.90(17) no . . . .
C9 Ge1 C15 C16 -119.89(16) no . . . .
C9 Ge1 C15 C20 55.49(19) no . . . .
C15 Ge1 C9 C10 -141.35(17) no . . . .
C15 Ge1 C9 C14 38.5(2) no . . . .
C4 Ge2 C21 C22 -155.24(16) no . . . .
C4 Ge2 C21 C26 17.5(2) no . . . .
C4 Ge2 C27 C28 -119.28(16) no . . . .
C4 Ge2 C27 C32 64.49(18) no . . . .
C5 Ge2 C21 C22 88.15(18) no . . . .
C5 Ge2 C21 C26 -99.08(18) no . . . .
C5 Ge2 C27 C28 -5.12(19) no . . . .
C5 Ge2 C27 C32 178.65(15) no . . . .
C21 Ge2 C27 C28 122.00(16) no . . . .
C21 Ge2 C27 C32 -54.23(19) no . . . .
C27 Ge2 C21 C22 -34.1(2) no . . . .
C27 Ge2 C21 C26 138.70(17) no . . . .
C6 Ge3 C33 C34 -47.9(2) no . . . .
C6 Ge3 C33 C38 137.06(16) no . . . .
C6 Ge3 C39 C40 36.5(3) no . . . .
C6 Ge3 C39 C44 -146.38(16) no . . . .
C7 Ge3 C33 C34 -165.94(16) no . . . .
C7 Ge3 C33 C38 19.0(2) no . . . .
C7 Ge3 C39 C40 154.67(18) no . . . .
C7 Ge3 C39 C44 -28.24(19) no . . . .
C33 Ge3 C39 C40 -86.97(19) no . . . .
C33 Ge3 C39 C44 90.12(18) no . . . .
C39 Ge3 C33 C34 77.39(18) no . . . .
C39 Ge3 C33 C38 -97.67(18) no . . . .
C1 Ge4 C45 C46 -145.05(15) no 3_666 . . .
C1 Ge4 C45 C50 36.71(18) no 3_666 . . .
C1 Ge4 C51 C52 93.89(18) no 3_666 . . .
C1 Ge4 C51 C56 -84.05(17) no 3_666 . . .
C8 Ge4 C45 C46 -26.41(19) no . . . .
C8 Ge4 C45 C50 155.34(15) no . . . .
C8 Ge4 C51 C52 -23.2(2) no . . . .
C8 Ge4 C51 C56 158.84(15) no . . . .
C45 Ge4 C51 C52 -146.83(16) no . . . .
C45 Ge4 C51 C56 35.2(2) no . . . .
C51 Ge4 C45 C46 95.36(17) no . . . .
C51 Ge4 C45 C50 -82.89(18) no . . . .
Ge1 C9 C10 C11 -179.92(17) no . . . .
Ge1 C9 C14 C13 178.45(18) no . . . .
C10 C9 C14 C13 -1.7(5) no . . . .
C14 C9 C10 C11 0.2(4) no . . . .
C9 C10 C11 C12 0.6(5) no . . . .
C10 C11 C12 C13 0.2(5) no . . . .
C11 C12 C13 C14 -1.6(6) no . . . .
C12 C13 C14 C9 2.4(5) no . . . .
Ge1 C15 C16 C17 174.27(16) no . . . .
Ge1 C15 C20 C19 -174.16(15) no . . . .
C16 C15 C20 C19 1.3(4) no . . . .
C20 C15 C16 C17 -1.2(4) no . . . .
C15 C16 C17 C18 0.0(5) no . . . .
C16 C17 C18 C19 1.0(5) no . . . .
C17 C18 C19 C20 -0.8(5) no . . . .
C18 C19 C20 C15 -0.3(4) no . . . .
Ge2 C21 C22 C23 171.67(16) no . . . .
Ge2 C21 C26 C25 -172.15(17) no . . . .
C22 C21 C26 C25 0.7(4) no . . . .
C26 C21 C22 C23 -1.3(4) no . . . .
C21 C22 C23 C24 0.5(4) no . . . .
C22 C23 C24 C25 1.0(5) no . . . .
C23 C24 C25 C26 -1.6(5) no . . . .
C24 C25 C26 C21 0.8(5) no . . . .
Ge2 C27 C28 C29 -175.51(15) no . . . .
Ge2 C27 C32 C31 175.97(15) no . . . .
C28 C27 C32 C31 -0.4(4) no . . . .
C32 C27 C28 C29 0.8(4) no . . . .
C27 C28 C29 C30 -0.2(4) no . . . .
C28 C29 C30 C31 -0.7(4) no . . . .
C29 C30 C31 C32 1.1(4) no . . . .
C30 C31 C32 C27 -0.6(4) no . . . .
Ge3 C33 C34 C35 -175.33(15) no . . . .
Ge3 C33 C38 C37 176.04(17) no . . . .
C34 C33 C38 C37 0.9(4) no . . . .
C38 C33 C34 C35 -0.2(4) no . . . .
C33 C34 C35 C36 -0.3(4) no . . . .
C34 C35 C36 C37 0.1(4) no . . . .
C35 C36 C37 C38 0.6(5) no . . . .
C36 C37 C38 C33 -1.1(5) no . . . .
Ge3 C39 C40 C41 178.93(17) no . . . .
Ge3 C39 C44 C43 -178.97(17) no . . . .
C40 C39 C44 C43 -1.7(4) no . . . .
C44 C39 C40 C41 1.8(4) no . . . .
C39 C40 C41 C42 -0.6(5) no . . . .
C40 C41 C42 C43 -0.9(5) no . . . .
C41 C42 C43 C44 1.0(5) no . . . .
C42 C43 C44 C39 0.3(5) no . . . .
Ge4 C45 C46 C47 -177.14(16) no . . . .
Ge4 C45 C50 C49 176.14(17) no . . . .
C46 C45 C50 C49 -2.1(4) no . . . .
C50 C45 C46 C47 1.1(4) no . . . .
C45 C46 C47 C48 0.4(5) no . . . .
C46 C47 C48 C49 -0.9(5) no . . . .
C47 C48 C49 C50 -0.1(5) no . . . .
C48 C49 C50 C45 1.6(5) no . . . .
Ge4 C51 C52 C53 -178.15(15) no . . . .
Ge4 C51 C56 C55 178.07(16) no . . . .
C52 C51 C56 C55 0.1(4) no . . . .
C56 C51 C52 C53 -0.2(4) no . . . .
C51 C52 C53 C54 -0.5(4) no . . . .
C52 C53 C54 C55 1.3(4) no . . . .
C53 C54 C55 C56 -1.4(5) no . . . .
C54 C55 C56 C51 0.7(5) 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_1
_geom_contact_site_symmetry_2
C1 C50 3.397(4) no . 3_666
C2 C16 3.346(4) no . .
C3 C10 3.281(4) no . .
C4 C26 3.331(4) no . .
C5 C28 3.319(4) no . .
C6 C34 3.549(4) no . .
C7 C38 3.354(4) no . .
C7 C44 3.276(4) no . .
C8 C46 3.472(4) no . .
C8 C52 3.383(4) no . .
C9 C12 2.782(4) no . .
C10 C10 3.454(4) no . 3_666
C10 C11 3.539(5) no . 3_666
C10 C13 2.757(5) no . .
C11 C14 2.757(5) no . .
C14 C15 3.499(4) no . .
C15 C18 2.782(4) no . .
C16 C19 2.757(5) no . .
C17 C20 2.761(4) no . .
C21 C24 2.787(4) no . .
C21 C32 3.571(4) no . .
C22 C25 2.772(5) no . .
C22 C27 3.403(4) no . .
C23 C26 2.768(4) no . .
C27 C30 2.787(4) no . .
C28 C31 2.762(4) no . .
C29 C32 2.771(4) no . .
C33 C36 2.789(4) no . .
C34 C37 2.753(4) no . .
C35 C38 2.765(4) no . .
C39 C42 2.783(4) no . .
C40 C43 2.756(4) no . .
C41 C44 2.755(5) no . .
C45 C48 2.787(4) no . .
C45 C56 3.523(4) no . .
C46 C49 2.781(5) no . .
C47 C50 2.759(5) no . .
C51 C54 2.788(4) no . .
C52 C55 2.758(4) no . .
C53 C56 2.765(4) no . .
C3 C31 3.592(4) no . 2_555
C10 C42 3.559(5) no . 2_655
C24 C40 3.549(5) no . 3_665
C31 C3 3.592(4) no . 2_545
C40 C24 3.549(5) no . 3_665
C42 C10 3.559(5) no . 2_645
Ge1 H10 2.9860 no . .
Ge1 H14 2.9458 no . .
Ge1 H16 2.9699 no . .
Ge1 H20 2.9619 no . .
Ge2 H22 2.9617 no . .
Ge2 H26 2.9948 no . .
Ge2 H28 2.9769 no . .
Ge2 H32 2.9696 no . .
Ge3 H34 2.9691 no . .
Ge3 H38 2.9664 no . .
Ge3 H40 3.0202 no . .
Ge3 H44 2.9212 no . .
Ge4 H11 3.3253 no . .
Ge4 H46 2.9920 no . .
Ge4 H50 2.9417 no . .
Ge4 H52 2.9988 no . .
Ge4 H56 2.9464 no . .
C1 H11 2.7375 no . 3_666
C1 H16 3.4953 no . .
C1 H50 2.9668 no . 3_666
C2 H11 2.9034 no . 3_666
C2 H16 2.8360 no . .
C2 H50 3.4936 no . 3_666
C3 H10 2.7918 no . .
C3 H20 3.5562 no . .
C3 H26 3.4612 no . .
C4 H10 3.1336 no . .
C4 H26 2.8827 no . .
C4 H32 3.4987 no . .
C5 H28 2.7998 no . .
C6 H28 3.2912 no . .
C6 H34 3.1963 no . .
C6 H40 3.2336 no . .
C7 H38 2.8617 no . .
C7 H44 2.7967 no . .
C7 H52 3.3814 no . .
C8 H11 3.3485 no . .
C8 H38 3.4036 no . .
C8 H44 3.2018 no . .
C8 H46 3.0294 no . .
C8 H52 2.9222 no . .
C9 H11 3.2679 no . .
C9 H13 3.2601 no . .
C9 H20 3.3997 no . .
C10 H10 3.4226 no . 3_666
C10 H11 3.5722 no . 3_666
C10 H12 3.2541 no . .
C10 H14 3.2518 no . .
C11 H10 3.3145 no . 3_666
C11 H13 3.2272 no . .
C12 H10 3.2498 no . .
C12 H14 3.2493 no . .
C13 H11 3.2282 no . .
C14 H10 3.2518 no . .
C14 H12 3.2528 no . .
C15 H14 3.0957 no . .
C15 H17 3.2647 no . .
C15 H19 3.2688 no . .
C16 H18 3.2530 no . .
C16 H20 3.2452 no . .
C17 H19 3.2378 no . .
C18 H16 3.2480 no . .
C18 H20 3.2476 no . .
C19 H17 3.2393 no . .
C20 H14 3.4879 no . .
C20 H16 3.2468 no . .
C20 H18 3.2498 no . .
C21 H23 3.2689 no . .
C21 H25 3.2737 no . .
C21 H32 3.3157 no . .
C22 H24 3.2511 no . .
C22 H26 3.2720 no . .
C22 H32 3.5343 no . .
C23 H25 3.2409 no . .
C24 H22 3.2497 no . .
C24 H26 3.2594 no . .
C25 H23 3.2402 no . .
C26 H22 3.2713 no . .
C26 H24 3.2612 no . .
C27 H13 3.4163 no . 3_666
C27 H22 3.0289 no . .
C27 H29 3.2682 no . .
C27 H31 3.2710 no . .
C28 H13 3.2060 no . 3_666
C28 H30 3.2539 no . .
C28 H32 3.2579 no . .
C29 H13 2.8955 no . 3_666
C29 H31 3.2469 no . .
C30 H13 2.7867 no . 3_666
C30 H28 3.2514 no . .
C30 H32 3.2530 no . .
C31 H13 2.9914 no . 3_666
C31 H29 3.2473 no . .
C31 H49 3.5997 no . 3_666
C32 H12 3.3825 no . 3_666
C32 H13 3.3048 no . 3_666
C32 H22 3.3858 no . .
C32 H28 3.2570 no . .
C32 H30 3.2553 no . .
C33 H35 3.2779 no . .
C33 H37 3.2610 no . .
C34 H36 3.2588 no . .
C34 H38 3.2476 no . .
C35 H37 3.2322 no . .
C36 H34 3.2530 no . .
C36 H38 3.2512 no . .
C37 H35 3.2344 no . .
C38 H34 3.2464 no . .
C38 H36 3.2555 no . .
C39 H41 3.2741 no . .
C39 H43 3.2729 no . .
C40 H42 3.2593 no . .
C40 H44 3.2371 no . .
C41 H43 3.2313 no . .
C42 H40 3.2546 no . .
C42 H44 3.2287 no . .
C43 H41 3.2315 no . .
C43 H52 3.5680 no . .
C44 H40 3.2400 no . .
C44 H42 3.2334 no . .
C44 H52 3.0679 no . .
C45 H11 3.5988 no . .
C45 H12 3.2370 no . .
C45 H47 3.2669 no . .
C45 H49 3.2727 no . .
C45 H56 3.0971 no . .
C46 H48 3.2626 no . .
C46 H50 3.2544 no . .
C47 H49 3.2556 no . .
C48 H31 3.4623 no . 3_666
C48 H46 3.2613 no . .
C48 H50 3.2503 no . .
C49 H12 3.3905 no . .
C49 H31 3.3402 no . 3_666
C49 H32 3.5498 no . 3_666
C49 H47 3.2533 no . .
C50 H12 3.0350 no . .
C50 H46 3.2577 no . .
C50 H48 3.2539 no . .
C50 H56 3.1072 no . .
C51 H53 3.2682 no . .
C51 H55 3.2671 no . .
C52 H44 3.1675 no . .
C52 H54 3.2535 no . .
C52 H56 3.2521 no . .
C53 H55 3.2444 no . .
C54 H52 3.2499 no . .
C54 H56 3.2520 no . .
C55 H53 3.2446 no . .
C56 H52 3.2510 no . .
C56 H54 3.2553 no . .
H10 H11 2.3397 no . .
H10 H11 3.4834 no . 3_666
H11 H12 2.3147 no . .
H12 H13 2.3192 no . .
H12 H32 3.4107 no . 3_666
H12 H50 3.2126 no . .
H13 H14 2.3327 no . .
H13 H29 3.3222 no . 3_666
H13 H30 3.1698 no . 3_666
H13 H31 3.4580 no . 3_666
H16 H17 2.3391 no . .
H17 H18 2.3223 no . .
H18 H19 2.3235 no . .
H19 H20 2.3303 no . .
H22 H23 2.3268 no . .
H22 H32 3.4939 no . .
H23 H24 2.3158 no . .
H24 H25 2.3289 no . .
H25 H26 2.3405 no . .
H28 H29 2.3290 no . .
H29 H30 2.3350 no . .
H30 H31 2.3221 no . .
H31 H32 2.3343 no . .
H31 H48 3.2018 no . 3_666
H31 H49 2.9780 no . 3_666
H32 H49 3.0075 no . 3_666
H34 H35 2.3453 no . .
H34 H40 3.4040 no . .
H35 H36 2.3250 no . .
H36 H37 2.3174 no . .
H37 H38 2.3311 no . .
H38 H46 3.2589 no . .
H40 H41 2.3547 no . .
H41 H42 2.3262 no . .
H42 H43 2.3007 no . .
H43 H44 2.3272 no . .
H43 H52 3.3804 no . .
H43 H53 3.1433 no . .
H44 H52 2.4174 no . .
H46 H47 2.3378 no . .
H47 H48 2.3257 no . .
H48 H49 2.3419 no . .
H49 H50 2.3309 no . .
H50 H56 2.9286 no . .
H52 H53 2.3271 no . .
H53 H54 2.3336 no . .
H54 H55 2.3258 no . .
H55 H56 2.3307 no . .
Ge1 H31 3.4873 no . 2_555
Ge4 H35 3.5862 no . 2_645
C1 H35 3.3150 no . 4_465
C3 H30 3.2079 no . 2_555
C3 H31 3.0305 no . 2_555
C3 H42 3.4837 no . 2_655
C3 H43 3.3093 no . 2_655
C4 H30 3.1440 no . 2_555
C4 H31 3.4923 no . 2_555
C4 H42 3.5723 no . 2_655
C4 H43 3.0750 no . 2_655
C5 H42 3.5362 no . 2_655
C5 H43 3.0435 no . 2_655
C5 H53 3.2196 no . 2_655
C5 H55 2.9417 no . 4_454
C6 H36 3.5064 no . 2_645
C6 H42 3.3457 no . 2_655
C6 H43 3.2253 no . 2_655
C6 H53 3.5198 no . 2_655
C6 H55 2.9552 no . 4_454
C7 H36 3.5601 no . 2_645
C7 H42 3.3649 no . 2_655
C8 H35 3.3531 no . 2_645
C9 H42 3.3662 no . 2_655
C10 H42 2.8408 no . 2_655
C11 H42 3.3751 no . 2_655
C12 H25 3.3408 no . 4_565
C13 H25 3.0074 no . 4_565
C14 H18 3.4400 no . 3_676
C15 H31 3.3114 no . 2_555
C16 H31 3.5345 no . 2_555
C16 H32 3.2332 no . 2_555
C17 H14 3.3583 no . 3_676
C17 H29 3.4024 no . 1_565
C17 H32 3.5033 no . 2_555
C18 H14 3.2245 no . 3_676
C18 H29 2.9473 no . 1_565
C18 H49 3.3746 no . 4_464
C19 H24 3.5385 no . 4_565
C19 H49 3.2619 no . 4_464
C20 H24 3.4540 no . 4_565
C20 H49 3.4210 no . 4_464
C21 H53 3.3248 no . 2_655
C21 H54 3.2992 no . 2_655
C22 H16 3.0214 no . 2_545
C22 H17 3.4989 no . 2_545
C22 H54 3.1935 no . 2_655
C23 H16 2.9747 no . 2_545
C23 H17 3.1055 no . 2_545
C23 H34 3.1452 no . 3_665
C23 H54 3.1501 no . 2_655
C24 H17 2.9871 no . 2_545
C24 H40 3.0869 no . 3_665
C24 H41 3.5280 no . 3_665
C24 H54 3.2035 no . 2_655
C25 H13 3.2960 no . 4_464
C25 H17 3.2972 no . 2_545
C25 H41 3.4504 no . 3_665
C25 H47 3.5490 no . 4_464
C25 H54 3.2744 no . 2_655
C26 H30 3.2600 no . 2_555
C26 H48 3.5295 no . 4_464
C26 H53 3.3936 no . 2_655
C26 H54 3.3275 no . 2_655
C28 H36 3.1959 no . 2_645
C28 H37 2.9828 no . 2_645
C28 H56 3.2799 no . 4_454
C29 H18 3.2041 no . 1_545
C29 H37 3.3100 no . 2_645
C29 H50 2.8312 no . 4_454
C29 H56 3.5831 no . 4_454
C30 H26 3.5436 no . 2_545
C30 H50 3.1202 no . 4_454
C31 H26 3.5024 no . 2_545
C32 H16 3.3616 no . 2_545
C33 H19 2.9277 no . 2_645
C34 H19 2.8308 no . 2_645
C34 H23 2.9708 no . 3_665
C34 H52 3.0050 no . 2_655
C35 H18 3.4651 no . 2_645
C35 H19 2.9514 no . 2_645
C35 H23 3.0706 no . 3_665
C35 H52 2.8905 no . 2_655
C36 H18 3.0799 no . 2_645
C36 H19 3.1511 no . 2_645
C36 H28 2.9785 no . 2_655
C37 H18 3.5367 no . 2_645
C37 H19 3.2267 no . 2_645
C37 H28 2.8813 no . 2_655
C37 H29 3.3546 no . 2_655
C37 H56 3.4627 no . 3_766
C38 H19 3.1108 no . 2_645
C39 H20 3.3386 no . 2_645
C40 H20 3.3514 no . 2_645
C40 H24 2.8791 no . 3_665
C40 H55 3.0987 no . 4_454
C41 H20 3.1935 no . 2_645
C41 H24 3.0790 no . 3_665
C41 H25 3.5457 no . 3_665
C41 H38 3.5339 no . 2_645
C42 H10 3.5044 no . 2_645
C42 H20 2.9891 no . 2_645
C43 H20 2.9317 no . 2_645
C43 H48 3.5604 no . 3_766
C44 H20 3.1016 no . 2_645
C44 H48 3.3725 no . 3_766
C47 H25 3.2560 no . 4_565
C47 H26 3.5097 no . 4_565
C48 H26 3.1695 no . 4_565
C48 H44 3.4297 no . 3_766
C49 H29 3.3688 no . 4_555
C50 H29 3.1881 no . 4_555
C51 H22 3.2570 no . 4_555
C51 H35 3.5939 no . 2_645
C51 H47 2.9372 no . 3_766
C52 H22 3.5252 no . 4_555
C52 H34 3.1563 no . 2_645
C52 H35 3.1153 no . 2_645
C52 H47 2.8529 no . 3_766
C53 H34 3.2273 no . 2_645
C53 H47 3.0061 no . 3_766
C53 H54 3.2504 no . 3_756
C54 H22 3.5171 no . 4_555
C54 H40 3.4704 no . 4_555
C54 H47 3.2129 no . 3_766
C54 H54 3.0869 no . 3_756
C55 H22 3.2226 no . 4_555
C55 H37 3.5139 no . 3_766
C55 H40 2.9782 no . 4_555
C55 H47 3.2906 no . 3_766
C56 H22 3.0878 no . 4_555
C56 H37 3.3029 no . 3_766
C56 H47 3.1520 no . 3_766
H10 C42 3.5044 no . 2_655
H10 H42 2.6694 no . 2_655
H11 H42 3.5570 no . 2_655
H12 H25 3.4038 no . 4_565
H13 C25 3.2960 no . 4_565
H13 H17 3.3021 no . 3_676
H13 H18 3.5063 no . 3_676
H13 H25 2.8514 no . 4_565
H14 C17 3.3583 no . 3_676
H14 C18 3.2245 no . 3_676
H14 H17 2.9140 no . 3_676
H14 H18 2.6361 no . 3_676
H16 C22 3.0214 no . 2_555
H16 C23 2.9747 no . 2_555
H16 C32 3.3616 no . 2_555
H16 H22 2.9721 no . 2_555
H16 H23 2.8828 no . 2_555
H16 H31 3.5550 no . 2_555
H16 H32 3.0830 no . 2_555
H17 C22 3.4989 no . 2_555
H17 C23 3.1055 no . 2_555
H17 C24 2.9871 no . 2_555
H17 C25 3.2972 no . 2_555
H17 H13 3.3021 no . 3_676
H17 H14 2.9140 no . 3_676
H17 H23 3.4489 no . 2_555
H17 H24 3.2559 no . 2_555
H17 H29 3.3729 no . 1_565
H17 H30 3.3958 no . 1_565
H17 H32 3.5466 no . 2_555
H18 C14 3.4400 no . 3_676
H18 C29 3.2041 no . 1_565
H18 C35 3.4651 no . 2_655
H18 C36 3.0799 no . 2_655
H18 C37 3.5367 no . 2_655
H18 H13 3.5063 no . 3_676
H18 H14 2.6361 no . 3_676
H18 H29 2.5592 no . 1_565
H18 H36 3.0263 no . 2_655
H19 C33 2.9277 no . 2_655
H19 C34 2.8308 no . 2_655
H19 C35 2.9514 no . 2_655
H19 C36 3.1511 no . 2_655
H19 C37 3.2267 no . 2_655
H19 C38 3.1108 no . 2_655
H19 H23 3.4235 no . 4_565
H19 H24 3.2894 no . 4_565
H19 H34 3.2752 no . 2_655
H19 H35 3.4454 no . 2_655
H19 H49 3.5946 no . 4_464
H20 C39 3.3386 no . 2_655
H20 C40 3.3514 no . 2_655
H20 C41 3.1935 no . 2_655
H20 C42 2.9891 no . 2_655
H20 C43 2.9317 no . 2_655
H20 C44 3.1016 no . 2_655
H20 H24 3.1378 no . 4_565
H20 H42 3.4379 no . 2_655
H20 H43 3.3413 no . 2_655
H20 H44 3.5858 no . 2_655
H22 C51 3.2570 no . 4_454
H22 C52 3.5252 no . 4_454
H22 C54 3.5171 no . 4_454
H22 C55 3.2226 no . 4_454
H22 C56 3.0878 no . 4_454
H22 H16 2.9721 no . 2_545
H22 H56 3.4307 no . 4_454
H23 C34 2.9708 no . 3_665
H23 C35 3.0706 no . 3_665
H23 H16 2.8828 no . 2_545
H23 H17 3.4489 no . 2_545
H23 H19 3.4235 no . 4_464
H23 H34 2.4858 no . 3_665
H23 H35 2.6823 no . 3_665
H24 C19 3.5385 no . 4_464
H24 C20 3.4540 no . 4_464
H24 C40 2.8791 no . 3_665
H24 C41 3.0790 no . 3_665
H24 H17 3.2559 no . 2_545
H24 H19 3.2894 no . 4_464
H24 H20 3.1378 no . 4_464
H24 H34 3.5109 no . 3_665
H24 H40 2.6297 no . 3_665
H24 H41 2.9977 no . 3_665
H25 C12 3.3408 no . 4_464
H25 C13 3.0074 no . 4_464
H25 C41 3.5457 no . 3_665
H25 C47 3.2560 no . 4_464
H25 H12 3.4038 no . 4_464
H25 H13 2.8514 no . 4_464
H25 H40 3.5959 no . 3_665
H25 H41 2.8305 no . 3_665
H25 H47 3.1475 no . 4_464
H26 C30 3.5436 no . 2_555
H26 C31 3.5024 no . 2_555
H26 C47 3.5097 no . 4_464
H26 C48 3.1695 no . 4_464
H26 H30 3.0411 no . 2_555
H26 H31 2.9483 no . 2_555
H26 H43 3.5927 no . 2_655
H26 H47 3.3272 no . 4_464
H26 H48 2.7051 no . 4_464
H26 H53 3.4224 no . 2_655
H28 C36 2.9785 no . 2_645
H28 C37 2.8813 no . 2_645
H28 H36 2.4459 no . 2_645
H28 H37 2.2365 no . 2_645
H28 H55 3.3220 no . 4_454
H28 H56 3.0322 no . 4_454
H29 C17 3.4024 no . 1_545
H29 C18 2.9473 no . 1_545
H29 C37 3.3546 no . 2_645
H29 C49 3.3688 no . 4_454
H29 C50 3.1881 no . 4_454
H29 H17 3.3729 no . 1_545
H29 H18 2.5592 no . 1_545
H29 H36 3.4476 no . 2_645
H29 H37 2.9144 no . 2_645
H29 H49 2.9202 no . 4_454
H29 H50 2.5564 no . 4_454
H29 H56 3.5631 no . 4_454
H30 C3 3.2079 no . 2_545
H30 C4 3.1440 no . 2_545
H30 C26 3.2600 no . 2_545
H30 H17 3.3958 no . 1_545
H30 H26 3.0411 no . 2_545
H30 H32 3.2175 no . 2_545
H30 H50 3.0636 no . 4_454
H31 Ge1 3.4873 no . 2_545
H31 C3 3.0305 no . 2_545
H31 C4 3.4923 no . 2_545
H31 C15 3.3114 no . 2_545
H31 C16 3.5345 no . 2_545
H31 H16 3.5550 no . 2_545
H31 H26 2.9483 no . 2_545
H32 C16 3.2332 no . 2_545
H32 C17 3.5033 no . 2_545
H32 H16 3.0830 no . 2_545
H32 H17 3.5466 no . 2_545
H32 H30 3.2175 no . 2_555
H34 C23 3.1452 no . 3_665
H34 C52 3.1563 no . 2_655
H34 C53 3.2273 no . 2_655
H34 H19 3.2752 no . 2_645
H34 H23 2.4858 no . 3_665
H34 H24 3.5109 no . 3_665
H34 H52 2.7489 no . 2_655
H34 H53 2.8840 no . 2_655
H35 Ge4 3.5862 no . 2_655
H35 C1 3.3150 no . 4_564
H35 C8 3.3531 no . 2_655
H35 C51 3.5939 no . 2_655
H35 C52 3.1153 no . 2_655
H35 H19 3.4454 no . 2_645
H35 H23 2.6823 no . 3_665
H35 H52 2.5427 no . 2_655
H36 C6 3.5064 no . 2_655
H36 C7 3.5601 no . 2_655
H36 C28 3.1959 no . 2_655
H36 H18 3.0263 no . 2_645
H36 H28 2.4459 no . 2_655
H36 H29 3.4476 no . 2_655
H37 C28 2.9828 no . 2_655
H37 C29 3.3100 no . 2_655
H37 C55 3.5139 no . 3_766
H37 C56 3.3029 no . 3_766
H37 H28 2.2365 no . 2_655
H37 H29 2.9144 no . 2_655
H37 H55 3.0024 no . 3_766
H37 H56 2.5661 no . 3_766
H38 C41 3.5339 no . 2_655
H38 H41 3.5787 no . 2_655
H40 C24 3.0869 no . 3_665
H40 C54 3.4704 no . 4_454
H40 C55 2.9782 no . 4_454
H40 H24 2.6297 no . 3_665
H40 H25 3.5959 no . 3_665
H40 H54 3.2585 no . 4_454
H40 H55 2.3029 no . 4_454
H41 C24 3.5280 no . 3_665
H41 C25 3.4504 no . 3_665
H41 H24 2.9977 no . 3_665
H41 H25 2.8305 no . 3_665
H41 H38 3.5787 no . 2_645
H41 H46 3.1846 no . 2_645
H42 C3 3.4837 no . 2_645
H42 C4 3.5723 no . 2_645
H42 C5 3.5362 no . 2_645
H42 C6 3.3457 no . 2_645
H42 C7 3.3649 no . 2_645
H42 C9 3.3662 no . 2_645
H42 C10 2.8408 no . 2_645
H42 C11 3.3751 no . 2_645
H42 H10 2.6694 no . 2_645
H42 H11 3.5570 no . 2_645
H42 H20 3.4379 no . 2_645
H43 C3 3.3093 no . 2_645
H43 C4 3.0750 no . 2_645
H43 C5 3.0435 no . 2_645
H43 C6 3.2253 no . 2_645
H43 H20 3.3413 no . 2_645
H43 H26 3.5927 no . 2_645
H43 H48 3.1913 no . 3_766
H44 C48 3.4297 no . 3_766
H44 H20 3.5858 no . 2_645
H44 H48 2.8200 no . 3_766
H46 H41 3.1846 no . 2_655
H47 C25 3.5490 no . 4_565
H47 C51 2.9372 no . 3_766
H47 C52 2.8529 no . 3_766
H47 C53 3.0061 no . 3_766
H47 C54 3.2129 no . 3_766
H47 C55 3.2906 no . 3_766
H47 C56 3.1520 no . 3_766
H47 H25 3.1475 no . 4_565
H47 H26 3.3272 no . 4_565
H47 H52 3.2788 no . 3_766
H47 H53 3.5068 no . 3_766
H48 C26 3.5295 no . 4_565
H48 C43 3.5604 no . 3_766
H48 C44 3.3725 no . 3_766
H48 H26 2.7051 no . 4_565
H48 H43 3.1913 no . 3_766
H48 H44 2.8200 no . 3_766
H49 C18 3.3746 no . 4_565
H49 C19 3.2619 no . 4_565
H49 C20 3.4210 no . 4_565
H49 H19 3.5946 no . 4_565
H49 H29 2.9202 no . 4_555
H50 C29 2.8312 no . 4_555
H50 C30 3.1202 no . 4_555
H50 H29 2.5564 no . 4_555
H50 H30 3.0636 no . 4_555
H52 C34 3.0050 no . 2_645
H52 C35 2.8905 no . 2_645
H52 H34 2.7489 no . 2_645
H52 H35 2.5427 no . 2_645
H52 H47 3.2788 no . 3_766
H53 C5 3.2196 no . 2_645
H53 C6 3.5198 no . 2_645
H53 C21 3.3248 no . 2_645
H53 C26 3.3936 no . 2_645
H53 H26 3.4224 no . 2_645
H53 H34 2.8840 no . 2_645
H53 H47 3.5068 no . 3_766
H53 H54 3.0683 no . 3_756
H54 C21 3.2992 no . 2_645
H54 C22 3.1935 no . 2_645
H54 C23 3.1501 no . 2_645
H54 C24 3.2035 no . 2_645
H54 C25 3.2744 no . 2_645
H54 C26 3.3275 no . 2_645
H54 C53 3.2504 no . 3_756
H54 C54 3.0869 no . 3_756
H54 H40 3.2585 no . 4_555
H54 H53 3.0683 no . 3_756
H54 H54 2.7851 no . 3_756
H55 C5 2.9417 no . 4_555
H55 C6 2.9552 no . 4_555
H55 C40 3.0987 no . 4_555
H55 H28 3.3220 no . 4_555
H55 H37 3.0024 no . 3_766
H55 H40 2.3029 no . 4_555
H56 C28 3.2799 no . 4_555
H56 C29 3.5831 no . 4_555
H56 C37 3.4627 no . 3_766
H56 H22 3.4307 no . 4_555
H56 H28 3.0322 no . 4_555
H56 H29 3.5631 no . 4_555
H56 H37 2.5661 no . 3_766

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 983325'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ipr-Ge(6)

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C48 H84 Ge6'
_chemical_formula_moiety         'C48 H84 Ge6'
_chemical_formula_weight         1096.73
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3:H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_Int_Tables_number      148
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -Y,+X-Y,+Z
3 -X+Y,-X,+Z
4 -X,-Y,-Z
5 +Y,-X+Y,-Z
6 +X-Y,+X,-Z
7 2/3+X,1/3+Y,1/3+Z
8 2/3-Y,1/3+X-Y,1/3+Z
9 2/3-X+Y,1/3-X,1/3+Z
10 2/3-X,1/3-Y,1/3-Z
11 2/3+Y,1/3-X+Y,1/3-Z
12 2/3+X-Y,1/3+X,1/3-Z
13 1/3+X,2/3+Y,2/3+Z
14 1/3-Y,2/3+X-Y,2/3+Z
15 1/3-X+Y,2/3-X,2/3+Z
16 1/3-X,2/3-Y,2/3-Z
17 1/3+Y,2/3-X+Y,2/3-Z
18 1/3+X-Y,2/3+X,2/3-Z
#------------------------------------------------------------------------------
_cell_length_a                   15.0886(3)
_cell_length_b                   15.0886(3)
_cell_length_c                   24.5251(5)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_volume                     4835.46(16)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    25015
_cell_measurement_theta_min      3.23
_cell_measurement_theta_max      27.48
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.140
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1692.00
_exptl_absorpt_coefficient_mu    2.783
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.561
_exptl_absorpt_correction_T_max  0.677

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            27872
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             2465
_reflns_number_gt                2366
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0320
_refine_ls_wR_factor_ref         0.0934
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         2465
_refine_ls_number_parameters     86
_refine_ls_goodness_of_fit_ref   1.326
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0569P)²+2.4059P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.580
_refine_diff_density_min         -0.500
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ge Ge 0.1547 1.8001
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.424219(12) 0.468333(12) 0.326985(7) 0.02171(11) Uani 1.0 18 d . . .
C1 C 0.57007(13) 0.54955(14) 0.33156(8) 0.0261(4) Uani 1.0 18 d . . .
C2 C 0.38523(14) 0.32706(13) 0.33274(8) 0.0269(4) Uani 1.0 18 d . . .
C3 C 0.36603(14) 0.50226(15) 0.38940(8) 0.0315(4) Uani 1.0 18 d . . .
C4 C 0.24972(15) 0.43569(18) 0.39085(9) 0.0397(5) Uani 1.0 18 d . . .
C5 C 0.4144(2) 0.4912(3) 0.44208(10) 0.0534(7) Uani 1.0 18 d . . .
C6 C 0.38546(15) 0.49369(14) 0.25492(8) 0.0293(4) Uani 1.0 18 d . . .
C7 C 0.43467(17) 0.60886(17) 0.24615(9) 0.0407(5) Uani 1.0 18 d . . .
C8 C 0.4174(3) 0.4447(3) 0.21049(11) 0.0614(9) Uani 1.0 18 d . . .
H3 H 0.3837 0.5753 0.3859 0.0378 Uiso 1.0 18 calc R . .
H4A H 0.2228 0.4552 0.4222 0.0476 Uiso 1.0 18 calc R . .
H4B H 0.2308 0.3636 0.3942 0.0476 Uiso 1.0 18 calc R . .
H4C H 0.2208 0.4455 0.3571 0.0476 Uiso 1.0 18 calc R . .
H5A H 0.4888 0.5367 0.4406 0.0641 Uiso 1.0 18 calc R . .
H5B H 0.3989 0.4202 0.4460 0.0641 Uiso 1.0 18 calc R . .
H5C H 0.3866 0.5097 0.4734 0.0641 Uiso 1.0 18 calc R . .
H6 H 0.3094 0.4627 0.2537 0.0351 Uiso 1.0 18 calc R . .
H7A H 0.4128 0.6220 0.2109 0.0489 Uiso 1.0 18 calc R . .
H7B H 0.5093 0.6400 0.2465 0.0489 Uiso 1.0 18 calc R . .
H7C H 0.4135 0.6386 0.2754 0.0489 Uiso 1.0 18 calc R . .
H8A H 0.3800 0.3702 0.2151 0.0737 Uiso 1.0 18 calc R . .
H8B H 0.4911 0.4703 0.2131 0.0737 Uiso 1.0 18 calc R . .
H8C H 0.4016 0.4621 0.1747 0.0737 Uiso 1.0 18 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ge1 C1 1.9132(17) yes . .
Ge1 C2 1.912(2) yes . .
Ge1 C3 1.956(3) yes . .
Ge1 C6 1.959(3) yes . .
C1 C2 1.200(3) yes . 17_555
C3 C4 1.526(3) yes . .
C3 C5 1.534(4) yes . .
C6 C7 1.525(3) yes . .
C6 C8 1.524(5) yes . .
C3 H3 1.000 no . .
C4 H4A 0.980 no . .
C4 H4B 0.980 no . .
C4 H4C 0.980 no . .
C5 H5A 0.980 no . .
C5 H5B 0.980 no . .
C5 H5C 0.980 no . .
C6 H6 1.000 no . .
C7 H7A 0.980 no . .
C7 H7B 0.980 no . .
C7 H7C 0.980 no . .
C8 H8A 0.980 no . .
C8 H8B 0.980 no . .
C8 H8C 0.980 no . .

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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
C1 Ge1 C2 108.90(10) yes . . .
C1 Ge1 C3 108.03(8) yes . . .
C1 Ge1 C6 106.74(8) yes . . .
C2 Ge1 C3 107.81(9) yes . . .
C2 Ge1 C6 109.20(9) yes . . .
C3 Ge1 C6 115.99(11) yes . . .
Ge1 C1 C2 173.7(3) yes . . 17_555
Ge1 C2 C1 175.3(2) yes . . 18_545
Ge1 C3 C4 111.41(14) yes . . .
Ge1 C3 C5 109.3(2) yes . . .
C4 C3 C5 111.25(17) yes . . .
Ge1 C6 C7 109.08(13) yes . . .
Ge1 C6 C8 110.7(3) yes . . .
C7 C6 C8 111.1(2) yes . . .
Ge1 C3 H3 108.259 no . . .
C4 C3 H3 108.261 no . . .
C5 C3 H3 108.255 no . . .
C3 C4 H4A 109.478 no . . .
C3 C4 H4B 109.466 no . . .
C3 C4 H4C 109.459 no . . .
H4A C4 H4B 109.483 no . . .
H4A C4 H4C 109.472 no . . .
H4B C4 H4C 109.470 no . . .
C3 C5 H5A 109.486 no . . .
C3 C5 H5B 109.478 no . . .
C3 C5 H5C 109.476 no . . .
H5A C5 H5B 109.475 no . . .
H5A C5 H5C 109.462 no . . .
H5B C5 H5C 109.451 no . . .
Ge1 C6 H6 108.648 no . . .
C7 C6 H6 108.647 no . . .
C8 C6 H6 108.653 no . . .
C6 C7 H7A 109.461 no . . .
C6 C7 H7B 109.474 no . . .
C6 C7 H7C 109.476 no . . .
H7A C7 H7B 109.469 no . . .
H7A C7 H7C 109.473 no . . .
H7B C7 H7C 109.474 no . . .
C6 C8 H8A 109.459 no . . .
C6 C8 H8B 109.472 no . . .
C6 C8 H8C 109.466 no . . .
H8A C8 H8B 109.483 no . . .
H8A C8 H8C 109.477 no . . .
H8B C8 H8C 109.470 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 Ge1 C3 C4 -176.37(13) no . . . .
C1 Ge1 C3 C5 -53.01(13) no . . . .
C1 Ge1 C6 C7 -51.42(16) no . . . .
C1 Ge1 C6 C8 71.09(12) no . . . .
C2 Ge1 C3 C4 -58.82(16) no . . . .
C2 Ge1 C3 C5 64.53(11) no . . . .
C2 Ge1 C6 C7 -169.00(12) no . . . .
C2 Ge1 C6 C8 -46.49(12) no . . . .
C3 Ge1 C6 C7 68.99(14) no . . . .
C3 Ge1 C6 C8 -168.50(8) no . . . .
C6 Ge1 C3 C4 63.92(15) no . . . .
C6 Ge1 C3 C5 -172.72(8) 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_1
_geom_contact_site_symmetry_2
C1 C5 3.401(4) no . .
C1 C7 3.345(4) no . .
C2 C4 3.500(4) no . .
C2 C5 3.526(4) no . .
C2 C8 3.393(4) no . .
Ge1 H4B 3.0194 no . .
Ge1 H4C 3.0045 no . .
Ge1 H5A 2.9620 no . .
Ge1 H5B 2.9846 no . .
Ge1 H7B 2.9884 no . .
Ge1 H7C 2.9391 no . .
Ge1 H8A 3.0293 no . .
Ge1 H8B 2.9642 no . .
C1 H3 3.3050 no . .
C1 H4B 3.5727 no . 17_555
C1 H5A 2.9081 no . .
C1 H7B 2.8823 no . .
C1 H7C 3.5289 no . .
C1 H8A 3.4750 no . 17_555
C1 H8B 3.1403 no . .
C2 H4B 3.0476 no . .
C2 H5A 3.4525 no . 18_545
C2 H5B 3.0722 no . .
C2 H6 3.4049 no . .
C2 H7B 3.3324 no . 18_545
C2 H8A 2.9669 no . .
C2 H8B 3.5177 no . .
C3 H6 3.4126 no . .
C3 H7C 3.3296 no . .
C4 H5A 3.3652 no . .
C4 H5B 2.7333 no . .
C4 H5C 2.7021 no . .
C4 H6 3.4521 no . .
C5 H4A 2.7058 no . .
C5 H4B 2.7256 no . .
C5 H4C 3.3668 no . .
C6 H3 3.4445 no . .
C6 H4C 3.3432 no . .
C7 H3 3.4928 no . .
C7 H8A 3.3551 no . .
C7 H8B 2.7446 no . .
C7 H8C 2.6690 no . .
C8 H7A 2.7107 no . .
C8 H7B 2.7022 no . .
C8 H7C 3.3565 no . .
H3 H4A 2.3606 no . .
H3 H4B 2.8635 no . .
H3 H4C 2.3585 no . .
H3 H5A 2.3616 no . .
H3 H5B 2.8696 no . .
H3 H5C 2.3726 no . .
H3 H6 3.5695 no . .
H3 H7C 2.8326 no . .
H4A H5A 3.5896 no . .
H4A H5B 3.0129 no . .
H4A H5C 2.5154 no . .
H4B H5B 2.5703 no . .
H4B H5C 2.9957 no . .
H4B H7B 2.7200 no . 18_545
H4C H5C 3.5913 no . .
H4C H6 2.8172 no . .
H4C H7C 3.5338 no . .
H5A H8A 2.8257 no . 17_555
H5B H7B 3.4406 no . 18_545
H6 H7A 2.3587 no . .
H6 H7B 2.8668 no . .
H6 H7C 2.3712 no . .
H6 H8A 2.3381 no . .
H6 H8B 2.8648 no . .
H6 H8C 2.3900 no . .
H7A H8A 3.5790 no . .
H7A H8B 3.0567 no . .
H7A H8C 2.4968 no . .
H7B H8B 2.5690 no . .
H7B H8C 2.9308 no . .
H7C H8C 3.5707 no . .
C1 H4C 3.5852 no . 2_665
C4 H3 3.2552 no . 3_565
C4 H4B 3.5945 no . 16_555
C4 H4C 3.4697 no . 16_555
C4 H6 3.4947 no . 16_555
C5 H5A 3.3472 no . 4_666
C5 H8A 3.3152 no . 8_555
C6 H7C 3.3853 no . 3_565
C7 H4C 3.5277 no . 2_665
C7 H6 3.1231 no . 2_665
C7 H7A 3.3704 no . 2_665
C7 H7A 3.3639 no . 3_565
C7 H7A 3.5859 no . 11_455
C7 H7A 3.5919 no . 12_555
C7 H7C 3.2842 no . 2_665
C7 H7C 3.0928 no . 3_565
C7 H8C 3.1617 no . 12_555
C8 H5B 3.3551 no . 15_554
C8 H5C 3.3115 no . 15_554
C8 H7B 3.5439 no . 11_455
H3 C4 3.2552 no . 2_665
H3 H3 3.2523 no . 2_665
H3 H3 3.2523 no . 3_565
H3 H4A 2.8398 no . 2_665
H3 H4C 2.9095 no . 2_665
H4A H3 2.8398 no . 3_565
H4A H5A 3.1804 no . 3_565
H4A H6 3.4713 no . 16_555
H4A H8B 3.3423 no . 8_555
H4A H8C 3.3641 no . 8_555
H4B C4 3.5945 no . 16_555
H4B H4B 3.4236 no . 16_555
H4B H4C 2.8773 no . 16_555
H4B H6 2.8704 no . 16_555
H4B H8C 3.0462 no . 8_555
H4C C1 3.5852 no . 3_565
H4C C4 3.4697 no . 16_555
H4C C7 3.5277 no . 3_565
H4C H3 2.9095 no . 3_565
H4C H4B 2.8773 no . 16_555
H4C H4C 3.1558 no . 16_555
H4C H7B 3.2563 no . 3_565
H4C H7C 2.9002 no . 3_565
H5A C5 3.3472 no . 4_666
H5A H4A 3.1804 no . 2_665
H5A H5A 3.1942 no . 4_666
H5A H5B 3.1519 no . 4_666
H5A H5C 3.1299 no . 4_666
H5B C8 3.3551 no . 8_555
H5B H5A 3.1519 no . 4_666
H5B H5C 3.4770 no . 4_666
H5B H8A 2.8746 no . 8_555
H5B H8C 3.0554 no . 8_555
H5C C8 3.3115 no . 8_555
H5C H5A 3.1299 no . 4_666
H5C H5B 3.4770 no . 4_666
H5C H8A 2.8531 no . 8_555
H5C H8B 3.1974 no . 8_555
H5C H8C 3.3496 no . 8_555
H6 C4 3.4947 no . 16_555
H6 C7 3.1231 no . 3_565
H6 H4A 3.4713 no . 16_555
H6 H4B 2.8704 no . 16_555
H6 H7A 3.1241 no . 3_565
H6 H7A 3.5069 no . 11_455
H6 H7B 2.9357 no . 3_565
H6 H7C 2.7871 no . 3_565
H6 H8C 3.3333 no . 11_455
H7A C7 3.3639 no . 2_665
H7A C7 3.3704 no . 3_565
H7A C7 3.5919 no . 11_455
H7A C7 3.5859 no . 12_555
H7A H6 3.1241 no . 2_665
H7A H6 3.5069 no . 12_555
H7A H7A 2.8457 no . 2_665
H7A H7A 2.8457 no . 3_565
H7A H7A 2.7219 no . 11_455
H7A H7A 2.7219 no . 12_555
H7A H7C 3.1964 no . 2_665
H7A H7C 3.0487 no . 3_565
H7A H8C 2.8443 no . 12_555
H7B C8 3.5439 no . 12_555
H7B H4C 3.2563 no . 2_665
H7B H6 2.9357 no . 2_665
H7B H8C 2.5947 no . 12_555
H7C C6 3.3853 no . 2_665
H7C C7 3.0928 no . 2_665
H7C C7 3.2842 no . 3_565
H7C H4C 2.9002 no . 2_665
H7C H6 2.7871 no . 2_665
H7C H7A 3.0487 no . 2_665
H7C H7A 3.1964 no . 3_565
H7C H7C 2.5437 no . 2_665
H7C H7C 2.5437 no . 3_565
H8A C5 3.3152 no . 15_554
H8A H5B 2.8746 no . 15_554
H8A H5C 2.8531 no . 15_554
H8B H4A 3.3423 no . 15_554
H8B H5C 3.1974 no . 15_554
H8C C7 3.1617 no . 11_455
H8C H4A 3.3641 no . 15_554
H8C H4B 3.0462 no . 15_554
H8C H5B 3.0554 no . 15_554
H8C H5C 3.3496 no . 15_554
H8C H6 3.3333 no . 12_555
H8C H7A 2.8443 no . 11_455
H8C H7B 2.5947 no . 11_455

#==============================================================================

#==============================================================================
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 0.000 0.000 0.000 307 55 ' '
2 0.333 0.667 0.667 306 55 ' '
3 0.667 0.333 0.333 306 55 ' '
_platon_squeeze_details          
;
;

#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 983326'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ipr-germa(8)

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C64 H112 Ge8'
_chemical_formula_moiety         'C64 H112 Ge8'
_chemical_formula_weight         1462.31
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   8.55539(15)
_cell_length_b                   14.2704(3)
_cell_length_c                   15.3238(3)
_cell_angle_alpha                79.1007(7)
_cell_angle_beta                 86.4883(7)
_cell_angle_gamma                80.1363(7)
_cell_volume                     1809.15(6)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    27513
_cell_measurement_theta_min      3.01
_cell_measurement_theta_max      27.48
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.090
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             752.00
_exptl_absorpt_coefficient_mu    3.306
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.617
_exptl_absorpt_correction_T_max  0.743

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            31448
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             8273
_reflns_number_gt                7771
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0224
_refine_ls_wR_factor_ref         0.0573
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         8273
_refine_ls_number_parameters     341
_refine_ls_goodness_of_fit_ref   1.175
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0275P)²+0.4070P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         1.150
_refine_diff_density_min         -0.450
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ge Ge 0.1547 1.8001
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 -0.015202(18) 0.027207(10) 0.169232(9) 0.01503(5) Uani 1.0 2 d . . .
Ge2 Ge 0.101915(18) 0.200799(10) 0.408622(9) 0.01337(4) Uani 1.0 2 d . . .
Ge3 Ge 0.168051(18) 0.545561(10) 0.297434(9) 0.01412(4) Uani 1.0 2 d . . .
Ge4 Ge 0.306481(18) 0.660102(10) -0.023941(9) 0.01522(5) Uani 1.0 2 d . . .
C1 C 0.02761(19) 0.08826(10) 0.26462(10) 0.0194(3) Uani 1.0 2 d . . .
C2 C 0.05567(18) 0.13306(10) 0.31948(10) 0.0184(3) Uani 1.0 2 d . . .
C3 C 0.13370(18) 0.32839(10) 0.35255(10) 0.0170(3) Uani 1.0 2 d . . .
C4 C 0.14850(18) 0.41140(10) 0.32523(9) 0.0171(3) Uani 1.0 2 d . . .
C5 C 0.23378(19) 0.57822(11) 0.17557(10) 0.0203(3) Uani 1.0 2 d . . .
C6 C 0.26342(19) 0.61083(11) 0.09909(10) 0.0202(3) Uani 1.0 2 d . . .
C7 C 0.20279(18) 0.79199(11) -0.05145(10) 0.0185(3) Uani 1.0 2 d . . .
C8 C 0.13009(19) 0.86694(10) -0.08970(10) 0.0188(3) Uani 1.0 2 d . . .
C9 C -0.1569(2) -0.06670(11) 0.21090(10) 0.0231(4) Uani 1.0 2 d . . .
C10 C -0.3040(3) -0.02008(14) 0.25822(13) 0.0350(4) Uani 1.0 2 d . . .
C11 C -0.2025(3) -0.10784(14) 0.13238(13) 0.0396(5) Uani 1.0 2 d . . .
C12 C 0.1866(2) -0.02407(11) 0.11583(10) 0.0228(4) Uani 1.0 2 d . . .
C13 C 0.2606(3) -0.11944(14) 0.17285(14) 0.0401(5) Uani 1.0 2 d . . .
C14 C 0.2990(3) 0.05042(15) 0.10243(12) 0.0335(4) Uani 1.0 2 d . . .
C15 C -0.08353(18) 0.21550(10) 0.48943(10) 0.0175(3) Uani 1.0 2 d . . .
C16 C -0.1141(3) 0.11742(12) 0.54055(13) 0.0330(4) Uani 1.0 2 d . . .
C17 C -0.2285(2) 0.27095(13) 0.43776(12) 0.0277(4) Uani 1.0 2 d . . .
C18 C 0.29835(18) 0.13280(11) 0.46540(10) 0.0199(3) Uani 1.0 2 d . . .
C19 C 0.3499(2) 0.18938(12) 0.53051(11) 0.0266(4) Uani 1.0 2 d . . .
C20 C 0.4289(3) 0.11242(16) 0.39586(13) 0.0368(5) Uani 1.0 2 d . . .
C21 C -0.04102(18) 0.62225(11) 0.31389(11) 0.0212(3) Uani 1.0 2 d . . .
C22 C -0.1173(2) 0.58242(12) 0.40311(12) 0.0284(4) Uani 1.0 2 d . . .
C23 C -0.1495(3) 0.62685(15) 0.23709(14) 0.0380(5) Uani 1.0 2 d . . .
C24 C 0.33001(18) 0.56717(11) 0.37296(10) 0.0184(3) Uani 1.0 2 d . . .
C25 C 0.3756(2) 0.66735(12) 0.34075(11) 0.0258(4) Uani 1.0 2 d . . .
C26 C 0.4753(2) 0.48802(13) 0.37687(14) 0.0342(4) Uani 1.0 2 d . . .
C27 C 0.1963(2) 0.59423(11) -0.09685(10) 0.0232(4) Uani 1.0 2 d . . .
C28 C 0.2298(3) 0.62960(15) -0.19568(12) 0.0377(5) Uani 1.0 2 d . . .
C29 C 0.0182(3) 0.61310(14) -0.07573(14) 0.0369(5) Uani 1.0 2 d . . .
C30 C 0.53565(19) 0.65783(12) -0.04259(11) 0.0232(4) Uani 1.0 2 d . . .
C31 C 0.5758(3) 0.71321(15) -0.13483(12) 0.0354(5) Uani 1.0 2 d . . .
C32 C 0.5988(3) 0.69893(15) 0.03080(13) 0.0351(5) Uani 1.0 2 d . . .
H9 H -0.0991 -0.1210 0.2542 0.0277 Uiso 1.0 2 calc R . .
H10A H -0.2717 0.0030 0.3096 0.0420 Uiso 1.0 2 calc R . .
H10B H -0.3742 -0.0679 0.2784 0.0420 Uiso 1.0 2 calc R . .
H10C H -0.3603 0.0345 0.2170 0.0420 Uiso 1.0 2 calc R . .
H11A H -0.1064 -0.1386 0.1042 0.0475 Uiso 1.0 2 calc R . .
H11B H -0.2585 -0.0554 0.0890 0.0475 Uiso 1.0 2 calc R . .
H11C H -0.2719 -0.1559 0.1538 0.0475 Uiso 1.0 2 calc R . .
H12 H 0.1655 -0.0372 0.0562 0.0274 Uiso 1.0 2 calc R . .
H13A H 0.3638 -0.1429 0.1465 0.0481 Uiso 1.0 2 calc R . .
H13B H 0.1903 -0.1675 0.1756 0.0481 Uiso 1.0 2 calc R . .
H13C H 0.2752 -0.1090 0.2330 0.0481 Uiso 1.0 2 calc R . .
H14A H 0.2484 0.1105 0.0657 0.0402 Uiso 1.0 2 calc R . .
H14B H 0.3976 0.0251 0.0727 0.0402 Uiso 1.0 2 calc R . .
H14C H 0.3230 0.0633 0.1603 0.0402 Uiso 1.0 2 calc R . .
H15 H -0.0607 0.2545 0.5335 0.0210 Uiso 1.0 2 calc R . .
H16A H -0.2063 0.1267 0.5811 0.0396 Uiso 1.0 2 calc R . .
H16B H -0.0207 0.0852 0.5748 0.0396 Uiso 1.0 2 calc R . .
H16C H -0.1351 0.0774 0.4986 0.0396 Uiso 1.0 2 calc R . .
H17A H -0.3199 0.2792 0.4789 0.0332 Uiso 1.0 2 calc R . .
H17B H -0.2520 0.2346 0.3933 0.0332 Uiso 1.0 2 calc R . .
H17C H -0.2063 0.3346 0.4079 0.0332 Uiso 1.0 2 calc R . .
H18 H 0.2769 0.0692 0.4999 0.0239 Uiso 1.0 2 calc R . .
H19A H 0.4466 0.1531 0.5595 0.0319 Uiso 1.0 2 calc R . .
H19B H 0.2653 0.1991 0.5756 0.0319 Uiso 1.0 2 calc R . .
H19C H 0.3710 0.2524 0.4983 0.0319 Uiso 1.0 2 calc R . .
H20A H 0.3949 0.0724 0.3575 0.0441 Uiso 1.0 2 calc R . .
H20B H 0.5259 0.0781 0.4257 0.0441 Uiso 1.0 2 calc R . .
H20C H 0.4498 0.1737 0.3597 0.0441 Uiso 1.0 2 calc R . .
H21 H -0.0252 0.6897 0.3154 0.0255 Uiso 1.0 2 calc R . .
H22A H -0.1261 0.5144 0.4053 0.0341 Uiso 1.0 2 calc R . .
H22B H -0.2232 0.6199 0.4096 0.0341 Uiso 1.0 2 calc R . .
H22C H -0.0513 0.5874 0.4516 0.0341 Uiso 1.0 2 calc R . .
H23A H -0.0991 0.6542 0.1811 0.0455 Uiso 1.0 2 calc R . .
H23B H -0.2511 0.6678 0.2465 0.0455 Uiso 1.0 2 calc R . .
H23C H -0.1678 0.5615 0.2344 0.0455 Uiso 1.0 2 calc R . .
H24 H 0.2832 0.5652 0.4346 0.0220 Uiso 1.0 2 calc R . .
H25A H 0.2813 0.7169 0.3421 0.0309 Uiso 1.0 2 calc R . .
H25B H 0.4194 0.6717 0.2798 0.0309 Uiso 1.0 2 calc R . .
H25C H 0.4554 0.6776 0.3797 0.0309 Uiso 1.0 2 calc R . .
H26A H 0.5240 0.4889 0.3172 0.0410 Uiso 1.0 2 calc R . .
H26B H 0.4430 0.4249 0.3989 0.0410 Uiso 1.0 2 calc R . .
H26C H 0.5522 0.4994 0.4170 0.0410 Uiso 1.0 2 calc R . .
H27 H 0.2354 0.5231 -0.0821 0.0278 Uiso 1.0 2 calc R . .
H28A H 0.1641 0.6021 -0.2312 0.0452 Uiso 1.0 2 calc R . .
H28B H 0.3422 0.6091 -0.2100 0.0452 Uiso 1.0 2 calc R . .
H28C H 0.2046 0.7004 -0.2092 0.0452 Uiso 1.0 2 calc R . .
H29A H -0.0011 0.5940 -0.0116 0.0443 Uiso 1.0 2 calc R . .
H29B H -0.0359 0.5753 -0.1078 0.0443 Uiso 1.0 2 calc R . .
H29C H -0.0226 0.6821 -0.0942 0.0443 Uiso 1.0 2 calc R . .
H30 H 0.5880 0.5889 -0.0383 0.0279 Uiso 1.0 2 calc R . .
H31A H 0.6899 0.7155 -0.1400 0.0424 Uiso 1.0 2 calc R . .
H31B H 0.5164 0.7792 -0.1428 0.0424 Uiso 1.0 2 calc R . .
H31C H 0.5467 0.6803 -0.1806 0.0424 Uiso 1.0 2 calc R . .
H32A H 0.5465 0.7659 0.0290 0.0422 Uiso 1.0 2 calc R . .
H32B H 0.7136 0.6971 0.0218 0.0422 Uiso 1.0 2 calc R . .
H32C H 0.5769 0.6601 0.0888 0.0422 Uiso 1.0 2 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ge1 C1 1.9200(17) yes . .
Ge1 C8 1.9171(14) yes . 2_565
Ge1 C9 1.9523(17) yes . .
Ge1 C12 1.9510(16) yes . .
Ge2 C2 1.9114(17) yes . .
Ge2 C3 1.9175(14) yes . .
Ge2 C15 1.9591(15) yes . .
Ge2 C18 1.9555(15) yes . .
Ge3 C4 1.9151(15) yes . .
Ge3 C5 1.9112(15) yes . .
Ge3 C21 1.9594(15) yes . .
Ge3 C24 1.9576(17) yes . .
Ge4 C6 1.9201(15) yes . .
Ge4 C7 1.9185(15) yes . .
Ge4 C27 1.9622(19) yes . .
Ge4 C30 1.9596(17) yes . .
C1 C2 1.206(3) yes . .
C3 C4 1.205(2) yes . .
C5 C6 1.205(2) yes . .
C7 C8 1.2058(19) yes . .
C9 C10 1.528(3) yes . .
C9 C11 1.532(3) yes . .
C12 C13 1.530(3) yes . .
C12 C14 1.530(3) yes . .
C15 C16 1.525(3) yes . .
C15 C17 1.529(3) yes . .
C18 C19 1.524(3) yes . .
C18 C20 1.526(3) yes . .
C21 C22 1.530(3) yes . .
C21 C23 1.528(3) yes . .
C24 C25 1.530(3) yes . .
C24 C26 1.525(3) yes . .
C27 C28 1.529(3) yes . .
C27 C29 1.526(3) yes . .
C30 C31 1.533(3) yes . .
C30 C32 1.528(3) yes . .
C9 H9 1.000 no . .
C10 H10A 0.980 no . .
C10 H10B 0.980 no . .
C10 H10C 0.980 no . .
C11 H11A 0.980 no . .
C11 H11B 0.980 no . .
C11 H11C 0.980 no . .
C12 H12 1.000 no . .
C13 H13A 0.980 no . .
C13 H13B 0.980 no . .
C13 H13C 0.980 no . .
C14 H14A 0.980 no . .
C14 H14B 0.980 no . .
C14 H14C 0.980 no . .
C15 H15 1.000 no . .
C16 H16A 0.980 no . .
C16 H16B 0.980 no . .
C16 H16C 0.980 no . .
C17 H17A 0.980 no . .
C17 H17B 0.980 no . .
C17 H17C 0.980 no . .
C18 H18 1.000 no . .
C19 H19A 0.980 no . .
C19 H19B 0.980 no . .
C19 H19C 0.980 no . .
C20 H20A 0.980 no . .
C20 H20B 0.980 no . .
C20 H20C 0.980 no . .
C21 H21 1.000 no . .
C22 H22A 0.980 no . .
C22 H22B 0.980 no . .
C22 H22C 0.980 no . .
C23 H23A 0.980 no . .
C23 H23B 0.980 no . .
C23 H23C 0.980 no . .
C24 H24 1.000 no . .
C25 H25A 0.980 no . .
C25 H25B 0.980 no . .
C25 H25C 0.980 no . .
C26 H26A 0.980 no . .
C26 H26B 0.980 no . .
C26 H26C 0.980 no . .
C27 H27 1.000 no . .
C28 H28A 0.980 no . .
C28 H28B 0.980 no . .
C28 H28C 0.980 no . .
C29 H29A 0.980 no . .
C29 H29B 0.980 no . .
C29 H29C 0.980 no . .
C30 H30 1.000 no . .
C31 H31A 0.980 no . .
C31 H31B 0.980 no . .
C31 H31C 0.980 no . .
C32 H32A 0.980 no . .
C32 H32B 0.980 no . .
C32 H32C 0.980 no . .

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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
C1 Ge1 C8 102.17(7) yes . . 2_565
C1 Ge1 C9 110.34(7) yes . . .
C1 Ge1 C12 108.53(7) yes . . .
C8 Ge1 C9 107.99(7) yes 2_565 . .
C8 Ge1 C12 111.65(7) yes 2_565 . .
C9 Ge1 C12 115.37(7) yes . . .
C2 Ge2 C3 108.74(7) yes . . .
C2 Ge2 C15 108.62(7) yes . . .
C2 Ge2 C18 108.69(7) yes . . .
C3 Ge2 C15 107.06(6) yes . . .
C3 Ge2 C18 108.59(7) yes . . .
C15 Ge2 C18 114.99(6) yes . . .
C4 Ge3 C5 109.67(7) yes . . .
C4 Ge3 C21 108.42(7) yes . . .
C4 Ge3 C24 108.06(7) yes . . .
C5 Ge3 C21 107.96(7) yes . . .
C5 Ge3 C24 109.09(7) yes . . .
C21 Ge3 C24 113.59(7) yes . . .
C6 Ge4 C7 108.50(7) yes . . .
C6 Ge4 C27 108.50(7) yes . . .
C6 Ge4 C30 108.81(7) yes . . .
C7 Ge4 C27 103.22(7) yes . . .
C7 Ge4 C30 108.25(7) yes . . .
C27 Ge4 C30 119.08(8) yes . . .
Ge1 C1 C2 174.77(13) yes . . .
Ge2 C2 C1 178.43(12) yes . . .
Ge2 C3 C4 173.46(14) yes . . .
Ge3 C4 C3 172.61(14) yes . . .
Ge3 C5 C6 171.23(14) yes . . .
Ge4 C6 C5 178.14(17) yes . . .
Ge4 C7 C8 162.22(15) yes . . .
Ge1 C8 C7 168.86(15) yes 2_565 . .
Ge1 C9 C10 110.42(12) yes . . .
Ge1 C9 C11 109.75(12) yes . . .
C10 C9 C11 111.19(16) yes . . .
Ge1 C12 C13 110.45(12) yes . . .
Ge1 C12 C14 110.35(12) yes . . .
C13 C12 C14 111.42(15) yes . . .
Ge2 C15 C16 110.98(11) yes . . .
Ge2 C15 C17 110.11(11) yes . . .
C16 C15 C17 111.67(15) yes . . .
Ge2 C18 C19 110.86(11) yes . . .
Ge2 C18 C20 110.82(11) yes . . .
C19 C18 C20 111.46(15) yes . . .
Ge3 C21 C22 110.25(10) yes . . .
Ge3 C21 C23 111.87(12) yes . . .
C22 C21 C23 111.19(15) yes . . .
Ge3 C24 C25 110.32(11) yes . . .
Ge3 C24 C26 111.42(13) yes . . .
C25 C24 C26 111.23(14) yes . . .
Ge4 C27 C28 110.49(14) yes . . .
Ge4 C27 C29 109.39(13) yes . . .
C28 C27 C29 110.27(15) yes . . .
Ge4 C30 C31 111.58(12) yes . . .
Ge4 C30 C32 109.52(12) yes . . .
C31 C30 C32 111.14(16) yes . . .
Ge1 C9 H9 108.466 no . . .
C10 C9 H9 108.472 no . . .
C11 C9 H9 108.458 no . . .
C9 C10 H10A 109.469 no . . .
C9 C10 H10B 109.469 no . . .
C9 C10 H10C 109.474 no . . .
H10A C10 H10B 109.472 no . . .
H10A C10 H10C 109.471 no . . .
H10B C10 H10C 109.473 no . . .
C9 C11 H11A 109.476 no . . .
C9 C11 H11B 109.465 no . . .
C9 C11 H11C 109.468 no . . .
H11A C11 H11B 109.470 no . . .
H11A C11 H11C 109.476 no . . .
H11B C11 H11C 109.472 no . . .
Ge1 C12 H12 108.174 no . . .
C13 C12 H12 108.163 no . . .
C14 C12 H12 108.177 no . . .
C12 C13 H13A 109.476 no . . .
C12 C13 H13B 109.476 no . . .
C12 C13 H13C 109.472 no . . .
H13A C13 H13B 109.465 no . . .
H13A C13 H13C 109.471 no . . .
H13B C13 H13C 109.467 no . . .
C12 C14 H14A 109.466 no . . .
C12 C14 H14B 109.466 no . . .
C12 C14 H14C 109.471 no . . .
H14A C14 H14B 109.479 no . . .
H14A C14 H14C 109.475 no . . .
H14B C14 H14C 109.470 no . . .
Ge2 C15 H15 107.978 no . . .
C16 C15 H15 107.980 no . . .
C17 C15 H15 107.972 no . . .
C15 C16 H16A 109.469 no . . .
C15 C16 H16B 109.471 no . . .
C15 C16 H16C 109.472 no . . .
H16A C16 H16B 109.470 no . . .
H16A C16 H16C 109.469 no . . .
H16B C16 H16C 109.476 no . . .
C15 C17 H17A 109.466 no . . .
C15 C17 H17B 109.468 no . . .
C15 C17 H17C 109.474 no . . .
H17A C17 H17B 109.467 no . . .
H17A C17 H17C 109.472 no . . .
H17B C17 H17C 109.480 no . . .
Ge2 C18 H18 107.845 no . . .
C19 C18 H18 107.851 no . . .
C20 C18 H18 107.842 no . . .
C18 C19 H19A 109.475 no . . .
C18 C19 H19B 109.472 no . . .
C18 C19 H19C 109.465 no . . .
H19A C19 H19B 109.476 no . . .
H19A C19 H19C 109.473 no . . .
H19B C19 H19C 109.466 no . . .
C18 C20 H20A 109.474 no . . .
C18 C20 H20B 109.469 no . . .
C18 C20 H20C 109.474 no . . .
H20A C20 H20B 109.471 no . . .
H20A C20 H20C 109.468 no . . .
H20B C20 H20C 109.472 no . . .
Ge3 C21 H21 107.787 no . . .
C22 C21 H21 107.784 no . . .
C23 C21 H21 107.790 no . . .
C21 C22 H22A 109.471 no . . .
C21 C22 H22B 109.464 no . . .
C21 C22 H22C 109.470 no . . .
H22A C22 H22B 109.479 no . . .
H22A C22 H22C 109.473 no . . .
H22B C22 H22C 109.470 no . . .
C21 C23 H23A 109.467 no . . .
C21 C23 H23B 109.476 no . . .
C21 C23 H23C 109.472 no . . .
H23A C23 H23B 109.472 no . . .
H23A C23 H23C 109.469 no . . .
H23B C23 H23C 109.471 no . . .
Ge3 C24 H24 107.912 no . . .
C25 C24 H24 107.899 no . . .
C26 C24 H24 107.908 no . . .
C24 C25 H25A 109.477 no . . .
C24 C25 H25B 109.463 no . . .
C24 C25 H25C 109.473 no . . .
H25A C25 H25B 109.470 no . . .
H25A C25 H25C 109.473 no . . .
H25B C25 H25C 109.472 no . . .
C24 C26 H26A 109.469 no . . .
C24 C26 H26B 109.474 no . . .
C24 C26 H26C 109.477 no . . .
H26A C26 H26B 109.466 no . . .
H26A C26 H26C 109.471 no . . .
H26B C26 H26C 109.471 no . . .
Ge4 C27 H27 108.887 no . . .
C28 C27 H27 108.886 no . . .
C29 C27 H27 108.889 no . . .
C27 C28 H28A 109.473 no . . .
C27 C28 H28B 109.469 no . . .
C27 C28 H28C 109.467 no . . .
H28A C28 H28B 109.476 no . . .
H28A C28 H28C 109.472 no . . .
H28B C28 H28C 109.471 no . . .
C27 C29 H29A 109.476 no . . .
C27 C29 H29B 109.470 no . . .
C27 C29 H29C 109.476 no . . .
H29A C29 H29B 109.470 no . . .
H29A C29 H29C 109.472 no . . .
H29B C29 H29C 109.463 no . . .
Ge4 C30 H30 108.159 no . . .
C31 C30 H30 108.161 no . . .
C32 C30 H30 108.163 no . . .
C30 C31 H31A 109.461 no . . .
C30 C31 H31B 109.466 no . . .
C30 C31 H31C 109.477 no . . .
H31A C31 H31B 109.471 no . . .
H31A C31 H31C 109.472 no . . .
H31B C31 H31C 109.480 no . . .
C30 C32 H32A 109.475 no . . .
C30 C32 H32B 109.474 no . . .
C30 C32 H32C 109.464 no . . .
H32A C32 H32B 109.475 no . . .
H32A C32 H32C 109.467 no . . .
H32B C32 H32C 109.473 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 Ge1 C9 C10 51.77(10) no . . . .
C1 Ge1 C9 C11 174.70(8) no . . . .
C1 Ge1 C12 C13 78.89(11) no . . . .
C1 Ge1 C12 C14 -44.74(10) no . . . .
C8 Ge1 C9 C10 -59.12(11) no 2_565 . . .
C8 Ge1 C9 C11 63.81(10) no 2_565 . . .
C8 Ge1 C12 C13 -169.25(9) no 2_565 . . .
C8 Ge1 C12 C14 67.11(11) no 2_565 . . .
C9 Ge1 C12 C13 -45.48(13) no . . . .
C9 Ge1 C12 C14 -169.12(8) no . . . .
C12 Ge1 C9 C10 175.20(8) no . . . .
C12 Ge1 C9 C11 -61.87(10) no . . . .
C2 Ge2 C15 C16 65.27(10) no . . . .
C2 Ge2 C15 C17 -58.90(10) no . . . .
C2 Ge2 C18 C19 174.19(8) no . . . .
C2 Ge2 C18 C20 49.88(11) no . . . .
C3 Ge2 C15 C16 -177.47(9) no . . . .
C3 Ge2 C15 C17 58.36(11) no . . . .
C3 Ge2 C18 C19 56.06(10) no . . . .
C3 Ge2 C18 C20 -68.26(11) no . . . .
C15 Ge2 C18 C19 -63.83(11) no . . . .
C15 Ge2 C18 C20 171.86(9) no . . . .
C18 Ge2 C15 C16 -56.75(12) no . . . .
C18 Ge2 C15 C17 179.08(8) no . . . .
C4 Ge3 C21 C22 47.61(12) no . . . .
C4 Ge3 C21 C23 -76.66(10) no . . . .
C4 Ge3 C24 C25 168.22(8) no . . . .
C4 Ge3 C24 C26 44.17(10) no . . . .
C5 Ge3 C21 C22 166.36(10) no . . . .
C5 Ge3 C21 C23 42.09(11) no . . . .
C5 Ge3 C24 C25 49.04(10) no . . . .
C5 Ge3 C24 C26 -75.01(10) no . . . .
C21 Ge3 C24 C25 -71.44(10) no . . . .
C21 Ge3 C24 C26 164.50(8) no . . . .
C24 Ge3 C21 C22 -72.52(11) no . . . .
C24 Ge3 C21 C23 163.20(8) no . . . .
C6 Ge4 C27 C28 -178.84(8) no . . . .
C6 Ge4 C27 C29 59.59(9) no . . . .
C6 Ge4 C30 C31 -169.44(10) no . . . .
C6 Ge4 C30 C32 -45.96(11) no . . . .
C7 Ge4 C27 C28 66.18(10) no . . . .
C7 Ge4 C27 C29 -55.39(9) no . . . .
C7 Ge4 C30 C31 -51.71(12) no . . . .
C7 Ge4 C30 C32 71.77(10) no . . . .
C27 Ge4 C30 C31 65.60(12) no . . . .
C27 Ge4 C30 C32 -170.92(7) no . . . .
C30 Ge4 C27 C28 -53.73(11) no . . . .
C30 Ge4 C27 C29 -175.30(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_1
_geom_contact_site_symmetry_2
C1 C10 3.470(3) no . .
C1 C14 3.351(3) no . .
C2 C16 3.586(3) no . .
C2 C17 3.498(3) no . .
C2 C20 3.414(3) no . .
C3 C17 3.456(3) no . .
C3 C19 3.480(3) no . .
C4 C22 3.379(3) no . .
C4 C26 3.359(3) no . .
C5 C23 3.348(3) no . .
C5 C25 3.409(3) no . .
C6 C29 3.494(3) no . .
C6 C32 3.359(3) no . .
C7 C28 3.464(3) no . .
C7 C29 3.311(3) no . .
C7 C31 3.449(3) no . .
C8 C10 3.488(3) no . 2_565
C8 C11 3.530(3) no . 2_565
C9 C13 3.557(3) no . .
C10 C20 3.561(3) no . 1_455
C20 C10 3.561(3) no . 1_655
Ge1 H10A 2.9938 no . .
Ge1 H10C 2.9873 no . .
Ge1 H11A 2.9696 no . .
Ge1 H11B 2.9891 no . .
Ge1 H13B 3.0107 no . .
Ge1 H13C 2.9719 no . .
Ge1 H14A 2.9637 no . .
Ge1 H14C 3.0151 no . .
Ge2 H16B 2.9978 no . .
Ge2 H16C 3.0125 no . .
Ge2 H17B 3.0003 no . .
Ge2 H17C 2.9782 no . .
Ge2 H19B 2.9839 no . .
Ge2 H19C 3.0132 no . .
Ge2 H20A 2.9969 no . .
Ge2 H20C 3.0016 no . .
Ge3 H22A 2.9763 no . .
Ge3 H22C 3.0110 no . .
Ge3 H23A 3.0078 no . .
Ge3 H23C 3.0452 no . .
Ge3 H25A 2.9854 no . .
Ge3 H25B 3.0014 no . .
Ge3 H26A 3.0327 no . .
Ge3 H26B 2.9941 no . .
Ge4 H28B 3.0592 no . .
Ge4 H28C 2.9430 no . .
Ge4 H29A 2.9281 no . .
Ge4 H29C 3.0209 no . .
Ge4 H31B 2.9847 no . .
Ge4 H31C 3.0672 no . .
Ge4 H32A 2.9806 no . .
Ge4 H32C 2.9702 no . .
C1 H9 3.3803 no . .
C1 H10A 3.0079 no . .
C1 H13C 3.3159 no . .
C1 H14A 3.4779 no . .
C1 H14C 2.9116 no . .
C1 H20A 3.4833 no . .
C1 H28C 3.3096 no . 2_565
C2 H14C 3.4091 no . .
C2 H16C 3.1459 no . .
C2 H17B 3.0427 no . .
C2 H18 3.3397 no . .
C2 H20A 2.9440 no . .
C2 H28C 3.2550 no . 2_565
C3 H15 3.2397 no . .
C3 H17C 2.9714 no . .
C3 H19C 3.0284 no . .
C3 H20C 3.1779 no . .
C3 H22A 3.3486 no . .
C3 H26B 3.3546 no . .
C3 H28A 3.1545 no . 2_565
C4 H17C 3.4882 no . .
C4 H19C 3.5596 no . .
C4 H22A 2.8866 no . .
C4 H22C 3.5979 no . .
C4 H23C 3.3462 no . .
C4 H24 3.3832 no . .
C4 H26A 3.5608 no . .
C4 H26B 2.8737 no . .
C4 H28A 3.1652 no . 2_565
C4 H29B 3.4864 no . 2_565
C5 H21 3.3963 no . .
C5 H23A 2.8707 no . .
C5 H23C 3.5348 no . .
C5 H25A 3.5930 no . .
C5 H25B 2.9484 no . .
C5 H26A 3.3213 no . .
C5 H29A 3.5534 no . .
C5 H29B 3.3305 no . 2_565
C5 H32C 3.4435 no . .
C6 H23A 3.2772 no . .
C6 H25B 3.4585 no . .
C6 H27 3.2914 no . .
C6 H29A 2.9783 no . .
C6 H29B 3.5314 no . 2_565
C6 H30 3.3876 no . .
C6 H32A 3.5409 no . .
C6 H32C 2.8742 no . .
C7 H10C 3.5682 no . 2_565
C7 H28C 2.9556 no . .
C7 H29A 3.5079 no . .
C7 H29C 2.8612 no . .
C7 H31B 2.9431 no . .
C7 H32A 3.1936 no . .
C8 H10C 3.0174 no . 2_565
C8 H11B 3.0759 no . 2_565
C8 H12 3.2819 no . 2_565
C8 H14A 3.2039 no . 2_565
C8 H28C 3.2238 no . .
C8 H29C 3.1513 no . .
C8 H31B 3.4340 no . .
C9 H12 3.5532 no . .
C9 H13B 3.1337 no . .
C10 H11A 3.3662 no . .
C10 H11B 2.7268 no . .
C10 H11C 2.7072 no . .
C11 H10A 3.3667 no . .
C11 H10B 2.6981 no . .
C11 H10C 2.7344 no . .
C11 H12 3.5331 no . .
C11 H13B 3.3966 no . .
C12 H9 3.4353 no . .
C12 H11A 3.2485 no . .
C13 H9 3.2513 no . .
C13 H11A 3.4418 no . .
C13 H14A 3.3680 no . .
C13 H14B 2.7191 no . .
C13 H14C 2.7202 no . .
C14 H13A 2.6819 no . .
C14 H13B 3.3665 no . .
C14 H13C 2.7590 no . .
C15 H18 3.4086 no . .
C15 H19B 3.2912 no . .
C16 H17A 2.7033 no . .
C16 H17B 2.7393 no . .
C16 H17C 3.3663 no . .
C16 H18 3.3421 no . .
C17 H16A 2.7030 no . .
C17 H16B 3.3670 no . .
C17 H16C 2.7381 no . .
C17 H28A 3.4012 no . 2_565
C17 H28C 3.4464 no . 2_565
C18 H15 3.4648 no . .
C18 H16B 3.2201 no . .
C19 H15 3.4758 no . .
C19 H20A 3.3601 no . .
C19 H20B 2.6870 no . .
C19 H20C 2.7408 no . .
C20 H19A 2.6970 no . .
C20 H19B 3.3608 no . .
C20 H19C 2.7295 no . .
C21 H24 3.3262 no . .
C21 H25A 3.3552 no . .
C22 H23A 3.3648 no . .
C22 H23B 2.7033 no . .
C22 H23C 2.7256 no . .
C22 H24 3.4501 no . .
C23 H22A 2.7650 no . .
C23 H22B 2.6672 no . .
C23 H22C 3.3618 no . .
C23 H28A 3.3087 no . 2_565
C24 H21 3.3160 no . .
C24 H22C 3.3921 no . .
C25 H21 3.4282 no . .
C25 H26A 2.7219 no . .
C25 H26B 3.3632 no . .
C25 H26C 2.7035 no . .
C26 H25A 3.3617 no . .
C26 H25B 2.7375 no . .
C26 H25C 2.6904 no . .
C27 H23C 3.3862 no . 2_565
C27 H29A 3.5036 no . 2_565
C27 H30 3.5062 no . .
C27 H31C 3.5126 no . .
C28 H17B 3.2860 no . 2_565
C28 H17C 3.2089 no . 2_565
C28 H23C 3.0364 no . 2_565
C28 H29A 3.3517 no . .
C28 H29B 2.7224 no . .
C28 H29C 2.6683 no . .
C28 H31C 2.9566 no . .
C29 H28A 2.6392 no . .
C29 H28B 3.3482 no . .
C29 H28C 2.7553 no . .
C29 H29A 3.0292 no . 2_565
C29 H29B 3.4953 no . 2_565
C30 H28B 3.3762 no . .
C31 H28B 3.0789 no . .
C31 H28C 3.4839 no . .
C31 H32A 2.7387 no . .
C31 H32B 2.6923 no . .
C31 H32C 3.3665 no . .
C32 H31A 2.6634 no . .
C32 H31B 2.7725 no . .
C32 H31C 3.3625 no . .
H9 H10A 2.3559 no . .
H9 H10B 2.3744 no . .
H9 H10C 2.8674 no . .
H9 H11A 2.3657 no . .
H9 H11B 2.8704 no . .
H9 H11C 2.3715 no . .
H9 H13B 2.7203 no . .
H9 H13C 3.2293 no . .
H10A H11C 3.5905 no . .
H10A H16C 3.5891 no . .
H10B H11A 3.5875 no . .
H10B H11B 2.9915 no . .
H10B H11C 2.5124 no . .
H10C H11B 2.5725 no . .
H10C H11C 3.0164 no . .
H10C H31B 2.8227 no . 2_565
H11A H12 2.9297 no . .
H11A H13B 2.7605 no . .
H12 H13A 2.3851 no . .
H12 H13B 2.3395 no . .
H12 H13C 2.8649 no . .
H12 H14A 2.3686 no . .
H12 H14B 2.3556 no . .
H12 H14C 2.8659 no . .
H13A H14A 3.5808 no . .
H13A H14B 2.5067 no . .
H13A H14C 2.9505 no . .
H13B H14B 3.5874 no . .
H13C H14B 3.0645 no . .
H13C H14C 2.5909 no . .
H14A H29C 3.3324 no . 2_565
H14C H20A 3.1509 no . .
H15 H16A 2.3611 no . .
H15 H16B 2.3501 no . .
H15 H16C 2.8609 no . .
H15 H17A 2.3646 no . .
H15 H17B 2.8635 no . .
H15 H17C 2.3528 no . .
H15 H19B 2.8445 no . .
H16A H17A 2.5110 no . .
H16A H17B 3.0106 no . .
H16A H17C 3.5866 no . .
H16B H17A 3.5878 no . .
H16B H18 2.7192 no . .
H16B H19B 3.1630 no . .
H16C H17A 3.0091 no . .
H16C H17B 2.5878 no . .
H16C H18 3.5075 no . .
H17B H28A 3.2176 no . 2_565
H17B H28B 3.2807 no . 2_565
H17B H28C 2.8258 no . 2_565
H17C H22A 2.7609 no . .
H17C H28A 2.7114 no . 2_565
H17C H28B 3.2223 no . 2_565
H17C H28C 3.1768 no . 2_565
H18 H19A 2.3549 no . .
H18 H19B 2.3501 no . .
H18 H19C 2.8587 no . .
H18 H20A 2.3434 no . .
H18 H20B 2.3646 no . .
H18 H20C 2.8598 no . .
H19A H20A 3.5764 no . .
H19A H20B 2.4944 no . .
H19A H20C 3.0183 no . .
H19B H20B 3.5752 no . .
H19C H20B 2.9863 no . .
H19C H20C 2.5873 no . .
H19C H26B 2.7837 no . .
H21 H22A 2.8617 no . .
H21 H22B 2.3836 no . .
H21 H22C 2.3316 no . .
H21 H23A 2.3581 no . .
H21 H23B 2.3519 no . .
H21 H23C 2.8609 no . .
H21 H24 3.3484 no . .
H21 H25A 2.7807 no . .
H22A H23B 3.0587 no . .
H22A H23C 2.6075 no . .
H22A H28A 3.4579 no . 2_565
H22B H23A 3.5644 no . .
H22B H23B 2.4784 no . .
H22B H23C 2.9456 no . .
H22C H23B 3.5688 no . .
H22C H24 2.8266 no . .
H23A H27 3.5688 no . 2_565
H23A H29A 3.2511 no . .
H23C H27 2.9517 no . 2_565
H23C H28A 2.3392 no . 2_565
H23C H28B 3.1541 no . 2_565
H23C H29B 3.2353 no . 2_565
H24 H25A 2.3507 no . .
H24 H25B 2.8635 no . .
H24 H25C 2.3663 no . .
H24 H26A 2.8603 no . .
H24 H26B 2.3578 no . .
H24 H26C 2.3513 no . .
H25A H26C 3.5831 no . .
H25B H26A 2.5745 no . .
H25B H26C 3.0226 no . .
H25B H32C 3.1675 no . .
H25C H26A 2.9795 no . .
H25C H26B 3.5820 no . .
H25C H26C 2.5041 no . .
H27 H28A 2.4130 no . .
H27 H28B 2.3323 no . .
H27 H28C 2.8693 no . .
H27 H29A 2.3933 no . .
H27 H29A 2.9593 no . 2_565
H27 H29B 2.3460 no . .
H27 H29B 3.4674 no . 2_565
H27 H29C 2.8690 no . .
H27 H30 3.4482 no . .
H28A H29A 3.5573 no . .
H28A H29B 2.4896 no . .
H28A H29C 2.8521 no . .
H28B H29B 3.5738 no . .
H28B H29C 3.5897 no . .
H28B H30 3.4079 no . .
H28B H31B 3.3994 no . .
H28B H31C 2.2759 no . .
H28C H29B 3.1057 no . .
H28C H29C 2.5562 no . .
H28C H31B 3.3486 no . .
H28C H31C 2.9434 no . .
H29A H29A 2.6356 no . 2_565
H29A H29B 2.7251 no . 2_565
H30 H31A 2.4000 no . .
H30 H31B 2.8669 no . .
H30 H31C 2.3323 no . .
H30 H32A 2.8639 no . .
H30 H32B 2.3698 no . .
H30 H32C 2.3503 no . .
H31A H32A 2.9564 no . .
H31A H32B 2.4608 no . .
H31A H32C 3.5565 no . .
H31B H32A 2.6280 no . .
H31B H32B 3.0506 no . .
H31C H32B 3.5576 no . .
Ge4 H30 3.4755 no . 2_665
C1 H16B 3.1482 no . 2_556
C2 H16B 3.2806 no . 2_556
C3 H22C 3.4296 no . 2_566
C4 H22C 3.4723 no . 2_566
C4 H31C 3.5557 no . 2_665
C5 H13B 3.5842 no . 1_565
C5 H30 3.5633 no . 2_665
C6 H13B 3.5226 no . 1_565
C6 H30 3.1980 no . 2_665
C7 H11A 3.5899 no . 1_565
C7 H12 3.1546 no . 1_565
C8 H11A 3.4864 no . 1_565
C8 H12 2.8880 no . 1_565
C9 H21 3.5624 no . 1_545
C10 H14C 3.5303 no . 1_455
C10 H19A 3.3566 no . 2_556
C10 H19B 3.2361 no . 2_556
C10 H20A 3.1318 no . 1_455
C10 H20B 3.2967 no . 1_455
C11 H12 3.2535 no . 2_555
C11 H14A 3.0922 no . 2_555
C11 H14B 3.5523 no . 2_555
C11 H23A 3.3115 no . 1_545
C11 H23B 3.4252 no . 1_545
C12 H11B 3.1887 no . 2_555
C13 H25A 3.1366 no . 1_545
C13 H25B 3.2335 no . 1_545
C13 H32A 3.5851 no . 1_545
C14 H10C 3.4472 no . 1_655
C14 H11A 3.5700 no . 2_555
C14 H11B 2.9605 no . 2_555
C14 H31A 3.5132 no . 2_665
C14 H31B 3.2848 no . 2_665
C14 H32A 3.3962 no . 2_665
C15 H22C 3.5010 no . 2_566
C15 H25A 3.2095 no . 2_566
C16 H16C 3.3283 no . 2_556
C16 H18 3.3791 no . 2_556
C16 H25A 3.3165 no . 2_566
C17 H19C 3.5363 no . 1_455
C17 H24 3.2798 no . 2_566
C17 H25A 3.4084 no . 2_566
C17 H25C 3.4286 no . 2_566
C17 H26B 3.2674 no . 1_455
C17 H26C 3.4400 no . 1_455
C18 H16C 3.4596 no . 2_556
C18 H20B 3.3106 no . 2_656
C19 H10A 3.4459 no . 2_556
C19 H10B 3.1074 no . 2_556
C19 H17A 3.2910 no . 1_655
C19 H22B 3.0394 no . 2_566
C19 H25C 3.2592 no . 2_666
C20 H10A 3.1208 no . 1_655
C20 H10B 3.5492 no . 1_655
C20 H10C 3.4430 no . 1_655
C20 H17B 3.4762 no . 1_655
C20 H18 3.5069 no . 2_656
C20 H20B 3.4608 no . 2_656
C21 H9 3.5600 no . 1_565
C21 H15 3.4127 no . 2_566
C21 H19B 3.5513 no . 2_566
C22 H15 3.3054 no . 2_566
C22 H19B 3.2274 no . 2_566
C22 H19C 3.4267 no . 2_566
C22 H22C 3.1732 no . 2_566
C22 H24 3.3539 no . 2_566
C22 H26C 3.2290 no . 1_455
C23 H11C 3.1455 no . 1_565
C23 H32B 3.4759 no . 1_455
C23 H32C 3.2767 no . 1_455
C24 H15 3.5785 no . 2_566
C24 H17A 3.4287 no . 2_566
C24 H26C 3.3456 no . 2_666
C25 H13B 3.3810 no . 1_565
C25 H13C 3.2995 no . 1_565
C25 H15 3.3710 no . 2_566
C25 H16A 3.4395 no . 2_566
C25 H17A 2.9922 no . 2_566
C25 H22B 3.5675 no . 1_655
C25 H23B 3.4240 no . 1_655
C26 H17A 3.3438 no . 1_655
C26 H17C 3.1878 no . 1_655
C26 H22A 3.5560 no . 1_655
C26 H22B 3.5528 no . 1_655
C26 H24 3.5436 no . 2_666
C26 H26C 3.1900 no . 2_666
C26 H28B 3.3171 no . 2_665
C27 H30 3.3611 no . 2_665
C28 H26A 3.2024 no . 2_665
C29 H31A 3.0637 no . 1_455
C29 H32B 3.0973 no . 1_455
C30 H27 3.3186 no . 2_665
C31 H14A 3.4946 no . 2_665
C31 H14C 3.3918 no . 2_665
C31 H20C 3.5211 no . 2_665
C31 H29B 3.5642 no . 1_655
C31 H29C 3.4675 no . 1_655
C32 H11C 3.4037 no . 1_665
C32 H13A 3.4353 no . 1_565
C32 H14A 3.2786 no . 2_665
C32 H23A 3.4636 no . 1_655
C32 H23B 3.5411 no . 1_655
C32 H27 3.2129 no . 2_665
C32 H29A 3.5664 no . 1_655
H9 C21 3.5600 no . 1_545
H9 H16B 3.0312 no . 2_556
H9 H19B 3.0087 no . 2_556
H9 H21 2.6656 no . 1_545
H9 H23A 3.5934 no . 1_545
H9 H23B 3.5054 no . 1_545
H10A C19 3.4459 no . 2_556
H10A C20 3.1208 no . 1_455
H10A H16B 3.0989 no . 2_556
H10A H18 2.9066 no . 2_556
H10A H19A 3.2112 no . 2_556
H10A H19B 3.0748 no . 2_556
H10A H20A 2.9504 no . 1_455
H10A H20B 2.6488 no . 1_455
H10A H20C 3.2697 no . 1_455
H10B C19 3.1074 no . 2_556
H10B C20 3.5492 no . 1_455
H10B H13A 3.5286 no . 1_455
H10B H13C 3.2919 no . 1_455
H10B H14C 3.3351 no . 1_455
H10B H18 3.5433 no . 2_556
H10B H19A 2.6386 no . 2_556
H10B H19B 2.7299 no . 2_556
H10B H20A 2.9416 no . 1_455
H10B H20B 3.3316 no . 1_455
H10C C14 3.4472 no . 1_455
H10C C20 3.4430 no . 1_455
H10C H14B 3.1577 no . 1_455
H10C H14C 2.8352 no . 1_455
H10C H20A 2.9683 no . 1_455
H10C H20B 3.4230 no . 1_455
H10C H20C 3.3855 no . 1_455
H11A C7 3.5899 no . 1_545
H11A C8 3.4864 no . 1_545
H11A C14 3.5700 no . 2_555
H11A H12 3.1582 no . 2_555
H11A H14A 2.8702 no . 2_555
H11A H23A 2.9609 no . 1_545
H11A H23B 3.5337 no . 1_545
H11A H32B 3.4724 no . 1_445
H11B C12 3.1887 no . 2_555
H11B C14 2.9605 no . 2_555
H11B H12 2.5213 no . 2_555
H11B H14A 2.6267 no . 2_555
H11B H14B 2.9773 no . 1_455
H11B H14B 2.7423 no . 2_555
H11B H32A 3.5589 no . 1_445
H11C C23 3.1455 no . 1_545
H11C C32 3.4037 no . 1_445
H11C H13A 3.0986 no . 1_455
H11C H14A 3.3026 no . 2_555
H11C H14B 3.5952 no . 1_455
H11C H21 3.5253 no . 1_545
H11C H23A 2.8251 no . 1_545
H11C H23B 2.6282 no . 1_545
H11C H32A 3.0138 no . 1_445
H11C H32B 3.1985 no . 1_445
H11C H32C 3.4464 no . 1_445
H12 C7 3.1546 no . 1_545
H12 C8 2.8880 no . 1_545
H12 C11 3.2535 no . 2_555
H12 H11A 3.1582 no . 2_555
H12 H11B 2.5213 no . 2_555
H12 H12 3.3146 no . 2_555
H13A C32 3.4353 no . 1_545
H13A H10B 3.5286 no . 1_655
H13A H11C 3.0986 no . 1_655
H13A H25A 3.3831 no . 1_545
H13A H25B 3.0073 no . 1_545
H13A H32A 2.6877 no . 1_545
H13A H32C 3.3162 no . 1_545
H13B C5 3.5842 no . 1_545
H13B C6 3.5226 no . 1_545
H13B C25 3.3810 no . 1_545
H13B H21 3.3612 no . 1_545
H13B H25A 2.8379 no . 1_545
H13B H25B 3.0195 no . 1_545
H13C C25 3.2995 no . 1_545
H13C H10B 3.2919 no . 1_655
H13C H16A 2.8453 no . 2_556
H13C H16B 3.5867 no . 2_556
H13C H25A 2.7134 no . 1_545
H13C H25B 3.1250 no . 1_545
H13C H25C 3.5947 no . 1_545
H14A C11 3.0922 no . 2_555
H14A C31 3.4946 no . 2_665
H14A C32 3.2786 no . 2_665
H14A H11A 2.8702 no . 2_555
H14A H11B 2.6267 no . 2_555
H14A H11C 3.3026 no . 2_555
H14A H31A 3.0550 no . 2_665
H14A H31B 3.1621 no . 2_665
H14A H32A 2.8411 no . 2_665
H14A H32B 2.8805 no . 2_665
H14B C11 3.5523 no . 2_555
H14B H10C 3.1577 no . 1_655
H14B H11B 2.9773 no . 1_655
H14B H11B 2.7423 no . 2_555
H14B H11C 3.5952 no . 1_655
H14B H14B 2.8713 no . 2_655
H14B H31B 3.3804 no . 2_665
H14B H32A 3.1919 no . 2_665
H14C C10 3.5303 no . 1_655
H14C C31 3.3918 no . 2_665
H14C H10B 3.3351 no . 1_655
H14C H10C 2.8352 no . 1_655
H14C H31A 3.0957 no . 2_665
H14C H31B 2.7913 no . 2_665
H15 C21 3.4127 no . 2_566
H15 C22 3.3054 no . 2_566
H15 C24 3.5785 no . 2_566
H15 C25 3.3710 no . 2_566
H15 H21 2.7634 no . 2_566
H15 H22B 3.4949 no . 2_566
H15 H22C 2.6494 no . 2_566
H15 H24 3.0280 no . 2_566
H15 H25A 2.6361 no . 2_566
H15 H25C 3.5954 no . 2_566
H16A C25 3.4395 no . 2_566
H16A H13C 2.8453 no . 2_556
H16A H18 3.4216 no . 2_556
H16A H19A 2.9603 no . 1_455
H16A H20A 3.4550 no . 2_556
H16A H25A 2.6805 no . 2_566
H16A H25C 3.3373 no . 2_566
H16B C1 3.1482 no . 2_556
H16B C2 3.2806 no . 2_556
H16B H9 3.0312 no . 2_556
H16B H10A 3.0989 no . 2_556
H16B H13C 3.5867 no . 2_556
H16B H16C 2.8577 no . 2_556
H16C C16 3.3283 no . 2_556
H16C C18 3.4596 no . 2_556
H16C H16B 2.8577 no . 2_556
H16C H16C 2.9070 no . 2_556
H16C H18 2.5881 no . 2_556
H16C H20B 3.1688 no . 1_455
H17A C19 3.2910 no . 1_455
H17A C24 3.4287 no . 2_566
H17A C25 2.9922 no . 2_566
H17A C26 3.3438 no . 1_455
H17A H19A 2.9734 no . 1_455
H17A H19C 2.7271 no . 1_455
H17A H20B 3.5995 no . 1_455
H17A H20C 3.4624 no . 1_455
H17A H24 2.8616 no . 2_566
H17A H25A 2.7935 no . 2_566
H17A H25C 2.5234 no . 2_566
H17A H26B 2.7993 no . 1_455
H17A H26C 3.1292 no . 1_455
H17B C20 3.4762 no . 1_455
H17B H19C 3.5066 no . 1_455
H17B H20B 3.1244 no . 1_455
H17B H20C 2.9361 no . 1_455
H17B H26B 3.4383 no . 1_455
H17C C26 3.1878 no . 1_455
H17C H24 3.0152 no . 2_566
H17C H26A 3.0985 no . 1_455
H17C H26B 3.0560 no . 1_455
H17C H26C 2.8709 no . 1_455
H18 C16 3.3791 no . 2_556
H18 C20 3.5069 no . 2_656
H18 H10A 2.9066 no . 2_556
H18 H10B 3.5433 no . 2_556
H18 H16A 3.4216 no . 2_556
H18 H16C 2.5881 no . 2_556
H18 H20B 2.5846 no . 2_656
H19A C10 3.3566 no . 2_556
H19A H10A 3.2112 no . 2_556
H19A H10B 2.6386 no . 2_556
H19A H16A 2.9603 no . 1_655
H19A H17A 2.9734 no . 1_655
H19A H20A 3.3142 no . 2_656
H19A H20B 3.2327 no . 2_656
H19A H22B 3.5662 no . 2_566
H19A H25C 3.0079 no . 2_666
H19B C10 3.2361 no . 2_556
H19B C21 3.5513 no . 2_566
H19B C22 3.2274 no . 2_566
H19B H9 3.0087 no . 2_556
H19B H10A 3.0748 no . 2_556
H19B H10B 2.7299 no . 2_556
H19B H21 2.9988 no . 2_566
H19B H22B 2.5981 no . 2_566
H19B H22C 3.2419 no . 2_566
H19B H23B 3.5913 no . 2_566
H19B H25C 3.3724 no . 2_666
H19C C17 3.5363 no . 1_655
H19C C22 3.4267 no . 2_566
H19C H17A 2.7271 no . 1_655
H19C H17B 3.5066 no . 1_655
H19C H22B 2.6224 no . 2_566
H19C H22C 3.3997 no . 2_566
H19C H25C 2.8733 no . 2_666
H20A C10 3.1318 no . 1_655
H20A H10A 2.9504 no . 1_655
H20A H10B 2.9416 no . 1_655
H20A H10C 2.9683 no . 1_655
H20A H16A 3.4550 no . 2_556
H20A H19A 3.3142 no . 2_656
H20B C10 3.2967 no . 1_655
H20B C18 3.3106 no . 2_656
H20B C20 3.4608 no . 2_656
H20B H10A 2.6488 no . 1_655
H20B H10B 3.3316 no . 1_655
H20B H10C 3.4230 no . 1_655
H20B H16C 3.1688 no . 1_655
H20B H17A 3.5995 no . 1_655
H20B H17B 3.1244 no . 1_655
H20B H18 2.5846 no . 2_656
H20B H19A 3.2327 no . 2_656
H20B H20B 2.9407 no . 2_656
H20C C31 3.5211 no . 2_665
H20C H10A 3.2697 no . 1_655
H20C H10C 3.3855 no . 1_655
H20C H17A 3.4624 no . 1_655
H20C H17B 2.9361 no . 1_655
H20C H31B 3.2693 no . 2_665
H20C H31C 3.1188 no . 2_665
H21 C9 3.5624 no . 1_565
H21 H9 2.6656 no . 1_565
H21 H11C 3.5253 no . 1_565
H21 H13B 3.3612 no . 1_565
H21 H15 2.7634 no . 2_566
H21 H19B 2.9988 no . 2_566
H22A C26 3.5560 no . 1_455
H22A H22C 2.7706 no . 2_566
H22A H24 2.8608 no . 2_566
H22A H26A 3.4593 no . 1_455
H22A H26C 2.7896 no . 1_455
H22B C19 3.0394 no . 2_566
H22B C25 3.5675 no . 1_455
H22B C26 3.5528 no . 1_455
H22B H15 3.4949 no . 2_566
H22B H19A 3.5662 no . 2_566
H22B H19B 2.5981 no . 2_566
H22B H19C 2.6224 no . 2_566
H22B H24 3.2967 no . 2_566
H22B H25C 2.7723 no . 1_455
H22B H26A 3.5960 no . 1_455
H22B H26B 3.4029 no . 2_566
H22B H26C 2.7738 no . 1_455
H22C C3 3.4296 no . 2_566
H22C C4 3.4723 no . 2_566
H22C C15 3.5010 no . 2_566
H22C C22 3.1732 no . 2_566
H22C H15 2.6494 no . 2_566
H22C H19B 3.2419 no . 2_566
H22C H19C 3.3997 no . 2_566
H22C H22A 2.7706 no . 2_566
H22C H22C 2.6851 no . 2_566
H22C H24 3.3677 no . 2_566
H23A C11 3.3115 no . 1_565
H23A C32 3.4636 no . 1_455
H23A H9 3.5934 no . 1_565
H23A H11A 2.9609 no . 1_565
H23A H11C 2.8251 no . 1_565
H23A H32B 2.9116 no . 1_455
H23A H32C 3.1700 no . 1_455
H23B C11 3.4252 no . 1_565
H23B C25 3.4240 no . 1_455
H23B C32 3.5411 no . 1_455
H23B H9 3.5054 no . 1_565
H23B H11A 3.5337 no . 1_565
H23B H11C 2.6282 no . 1_565
H23B H19B 3.5913 no . 2_566
H23B H25B 2.8265 no . 1_455
H23B H25C 3.1388 no . 1_455
H23B H26A 3.4309 no . 1_455
H23B H32B 3.4149 no . 1_455
H23B H32C 2.9347 no . 1_455
H23C H26A 3.1083 no . 1_455
H23C H32B 3.5693 no . 1_455
H23C H32C 3.1765 no . 1_455
H24 C17 3.2798 no . 2_566
H24 C22 3.3539 no . 2_566
H24 C26 3.5436 no . 2_666
H24 H15 3.0280 no . 2_566
H24 H17A 2.8616 no . 2_566
H24 H17C 3.0152 no . 2_566
H24 H22A 2.8608 no . 2_566
H24 H22B 3.2967 no . 2_566
H24 H22C 3.3677 no . 2_566
H24 H26C 2.6761 no . 2_666
H25A C13 3.1366 no . 1_565
H25A C15 3.2095 no . 2_566
H25A C16 3.3165 no . 2_566
H25A C17 3.4084 no . 2_566
H25A H13A 3.3831 no . 1_565
H25A H13B 2.8379 no . 1_565
H25A H13C 2.7134 no . 1_565
H25A H15 2.6361 no . 2_566
H25A H16A 2.6805 no . 2_566
H25A H17A 2.7935 no . 2_566
H25B C13 3.2335 no . 1_565
H25B H13A 3.0073 no . 1_565
H25B H13B 3.0195 no . 1_565
H25B H13C 3.1250 no . 1_565
H25B H23B 2.8265 no . 1_655
H25C C17 3.4286 no . 2_566
H25C C19 3.2592 no . 2_666
H25C H13C 3.5947 no . 1_565
H25C H15 3.5954 no . 2_566
H25C H16A 3.3373 no . 2_566
H25C H17A 2.5234 no . 2_566
H25C H19A 3.0079 no . 2_666
H25C H19B 3.3724 no . 2_666
H25C H19C 2.8733 no . 2_666
H25C H22B 2.7723 no . 1_655
H25C H23B 3.1388 no . 1_655
H25C H26B 3.5292 no . 2_666
H26A C28 3.2024 no . 2_665
H26A H17C 3.0985 no . 1_655
H26A H22A 3.4593 no . 1_655
H26A H22B 3.5960 no . 1_655
H26A H23B 3.4309 no . 1_655
H26A H23C 3.1083 no . 1_655
H26A H28A 3.0942 no . 2_665
H26A H28B 2.4603 no . 2_665
H26B C17 3.2674 no . 1_655
H26B H17A 2.7993 no . 1_655
H26B H17B 3.4383 no . 1_655
H26B H17C 3.0560 no . 1_655
H26B H22B 3.4029 no . 2_566
H26B H25C 3.5292 no . 2_666
H26B H26C 3.2110 no . 2_666
H26B H28B 3.4006 no . 2_665
H26C C17 3.4400 no . 1_655
H26C C22 3.2290 no . 1_655
H26C C24 3.3456 no . 2_666
H26C C26 3.1900 no . 2_666
H26C H17A 3.1292 no . 1_655
H26C H17C 2.8709 no . 1_655
H26C H22A 2.7896 no . 1_655
H26C H22B 2.7738 no . 1_655
H26C H24 2.6761 no . 2_666
H26C H26B 3.2110 no . 2_666
H26C H26C 2.6466 no . 2_666
H27 C30 3.3186 no . 2_665
H27 C32 3.2129 no . 2_665
H27 H30 2.5773 no . 2_665
H27 H32B 3.0661 no . 2_665
H27 H32C 2.8398 no . 2_665
H28A H26A 3.0942 no . 2_665
H28B C26 3.3171 no . 2_665
H28B H26A 2.4603 no . 2_665
H28B H26B 3.4006 no . 2_665
H29A C32 3.5664 no . 1_455
H29A H30 3.5785 no . 1_455
H29A H31A 3.4120 no . 1_455
H29A H32B 2.6992 no . 1_455
H29B C31 3.5642 no . 1_455
H29B H30 3.3128 no . 1_455
H29B H31A 2.8128 no . 1_455
H29B H32B 3.3270 no . 1_455
H29C C31 3.4675 no . 1_455
H29C H31A 2.5405 no . 1_455
H29C H32B 2.7896 no . 1_455
H30 Ge4 3.4755 no . 2_665
H30 C5 3.5633 no . 2_665
H30 C6 3.1980 no . 2_665
H30 C27 3.3611 no . 2_665
H30 H27 2.5773 no . 2_665
H30 H29A 3.5785 no . 1_655
H30 H29B 3.3128 no . 1_655
H30 H30 3.1704 no . 2_665
H31A C14 3.5132 no . 2_665
H31A C29 3.0637 no . 1_655
H31A H14A 3.0550 no . 2_665
H31A H14C 3.0957 no . 2_665
H31A H29A 3.4120 no . 1_655
H31A H29B 2.8128 no . 1_655
H31A H29C 2.5405 no . 1_655
H31B C14 3.2848 no . 2_665
H31B H14A 3.1621 no . 2_665
H31B H14B 3.3804 no . 2_665
H31B H14C 2.7913 no . 2_665
H31B H20C 3.2693 no . 2_665
H31C C4 3.5557 no . 2_665
H31C H20C 3.1188 no . 2_665
H32A C13 3.5851 no . 1_565
H32A C14 3.3962 no . 2_665
H32A H11B 3.5589 no . 1_665
H32A H11C 3.0138 no . 1_665
H32A H13A 2.6877 no . 1_565
H32A H14A 2.8411 no . 2_665
H32A H14B 3.1919 no . 2_665
H32B C23 3.4759 no . 1_655
H32B C29 3.0973 no . 1_655
H32B H11A 3.4724 no . 1_665
H32B H11C 3.1985 no . 1_665
H32B H14A 2.8805 no . 2_665
H32B H23A 2.9116 no . 1_655
H32B H23B 3.4149 no . 1_655
H32B H23C 3.5693 no . 1_655
H32B H27 3.0661 no . 2_665
H32B H29A 2.6992 no . 1_655
H32B H29B 3.3270 no . 1_655
H32B H29C 2.7896 no . 1_655
H32C C23 3.2767 no . 1_655
H32C H11C 3.4464 no . 1_665
H32C H13A 3.3162 no . 1_565
H32C H23A 3.1700 no . 1_655
H32C H23B 2.9347 no . 1_655
H32C H23C 3.1765 no . 1_655
H32C H27 2.8398 no . 2_665

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 983327'
