#------------------------------------------------------------------------------
#$Date: 2024-02-04 14:03:52 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289532 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/46/7714609.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7714609
loop_
_publ_author_name
'Bücker, Anna'
'Wölper, Christoph'
'Siera, Hannah'
'Haberhauer, Gebhard'
'Schulz, Stephan'
_publ_section_title
;
 Multiple ethylene activation by heteroleptic L(Cl)Ga-substituted
 germylenes.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              640
_journal_page_last               646
_journal_paper_doi               10.1039/d3dt03944g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C136 H168 Cl2 Ga2 Ge2 N4'
_chemical_formula_weight         2214.25
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2023-03-22 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                115.356(2)
_cell_angle_beta                 97.878(2)
_cell_angle_gamma                94.810(2)
_cell_formula_units_Z            2
_cell_length_a                   14.0575(8)
_cell_length_b                   20.5970(12)
_cell_length_c                   23.6061(14)
_cell_measurement_reflns_used    9830
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      80.36
_cell_measurement_theta_min      4.03
_cell_volume                     6040.1(6)
_computing_cell_refinement       'Bruker APEX3(v2017.3-0)'
_computing_data_collection       'Bruker APEX3(v2017.3-0)'
_computing_data_reduction        'Bruker APEX3(v2017.3-0)'
_computing_molecular_graphics    'ORTEP/PLATON (Spek)'
_computing_publication_material  'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'Bruker APEX3(v2017.3-0)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker D8 Venture (Photon II detector)'
_diffrn_measurement_method       'Data collection strategy APEX 3/Queen'
_diffrn_radiation_monochromator  'multilayer mirror'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            387670
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         81.182
_diffrn_reflns_theta_min         2.110
_diffrn_source                   'micro-focus sealed tube'
_diffrn_source_type              'INCOATEC I\mS 3.0'
_exptl_absorpt_coefficient_mu    1.863
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.58
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Blessing, Acta Cryst 1995 A51 33-38'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_description       plate
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.243
_exptl_crystal_size_mid          0.177
_exptl_crystal_size_min          0.040
_refine_diff_density_max         2.195
_refine_diff_density_min         -1.093
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1136
_refine_ls_number_reflns         26310
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0427
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0578P)²+7.4789P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1170
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23353
_reflns_number_total             26310
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt03944g2.cif
_cod_data_source_block           ab_290m_sq
_cod_depositor_comments
'Adding full bibliography for 7714607--7714609.cif.'
_cod_database_code               7714609
_publ_section_acknowledgement
;
We thank Yannick Schulte for the collection of the diffraction data.
;
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.660
_shelx_estimated_absorpt_t_max   0.929
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.32278(2) 0.79712(2) 0.76782(2) 0.02046(6) Uani 1 1 d . . . . .
Ge2 Ge 0.15198(2) 0.72590(2) 0.73784(2) 0.02370(6) Uani 1 1 d . . . . .
Ga1 Ga 0.48383(2) 0.89040(2) 0.64559(2) 0.02387(6) Uani 1 1 d . . . . .
Ga2 Ga 0.06237(2) 0.54314(2) 0.80530(2) 0.02232(6) Uani 1 1 d . . . . .
Cl1 Cl 0.61691(4) 0.84050(3) 0.65274(2) 0.03406(11) Uani 1 1 d . . . . .
Cl2 Cl 0.00157(4) 0.45415(3) 0.70764(2) 0.03252(11) Uani 1 1 d . . . . .
N1 N 0.45354(14) 0.86539(9) 0.55425(8) 0.0266(4) Uani 1 1 d . . . . .
N2 N 0.53753(13) 0.99266(9) 0.67484(8) 0.0241(3) Uani 1 1 d . . . . .
N3 N 0.14277(12) 0.49241(9) 0.84214(8) 0.0244(3) Uani 1 1 d . . . . .
N4 N -0.04395(12) 0.54446(9) 0.85108(8) 0.0241(3) Uani 1 1 d . . . . .
C1 C 0.50841(17) 0.90166(12) 0.53216(10) 0.0280(4) Uani 1 1 d . . . . .
C2 C 0.57251(17) 0.96611(12) 0.57095(10) 0.0295(4) Uani 1 1 d . . . . .
H2 H 0.616443 0.981252 0.550129 0.035 Uiso 1 1 calc R U . . .
C3 C 0.58131(16) 1.01170(12) 0.63627(10) 0.0278(4) Uani 1 1 d . . . . .
C4 C 0.50249(19) 0.87412(13) 0.46079(11) 0.0354(5) Uani 1 1 d . . . . .
H4A H 0.436393 0.849184 0.438289 0.053 Uiso 1 1 calc R U . . .
H4B H 0.548676 0.840082 0.446523 0.053 Uiso 1 1 calc R U . . .
H4C H 0.518593 0.915300 0.451474 0.053 Uiso 1 1 calc R U . . .
C5 C 0.64171(18) 1.08582(12) 0.66299(11) 0.0339(5) Uani 1 1 d . . . . .
H5A H 0.665317 1.092653 0.628432 0.051 Uiso 1 1 calc R U . . .
H5B H 0.697265 1.089940 0.695013 0.051 Uiso 1 1 calc R U . . .
H5C H 0.601936 1.123163 0.682960 0.051 Uiso 1 1 calc R U . . .
C6 C 0.38100(18) 0.80334(12) 0.50996(10) 0.0306(5) Uani 1 1 d . . . . .
C7 C 0.4093(2) 0.73548(13) 0.47575(10) 0.0360(5) Uani 1 1 d . . . . .
C8 C 0.3366(2) 0.67828(14) 0.43210(12) 0.0452(6) Uani 1 1 d . . . . .
H8 H 0.353868 0.631855 0.408562 0.054 Uiso 1 1 calc R U . . .
C9 C 0.2416(2) 0.68748(16) 0.42246(12) 0.0490(7) Uani 1 1 d . . . . .
H9 H 0.194043 0.648238 0.391588 0.059 Uiso 1 1 calc R U . . .
C10 C 0.2149(2) 0.75433(15) 0.45793(12) 0.0432(6) Uani 1 1 d . . . . .
H10 H 0.148442 0.760038 0.451738 0.052 Uiso 1 1 calc R U . . .
C010 C 0.06820(16) 0.72741(12) 0.66188(10) 0.0280(4) Uani 1 1 d . . . . .
C11 C 0.28358(18) 0.81341(13) 0.50255(10) 0.0336(5) Uani 1 1 d . . . . .
C12 C 0.5131(2) 0.72129(13) 0.48527(11) 0.0394(5) Uani 1 1 d . . . . .
H12 H 0.555750 0.769319 0.512288 0.047 Uiso 1 1 calc R U . . .
C13 C 0.5494(3) 0.68560(16) 0.42180(14) 0.0527(7) Uani 1 1 d . . . . .
H13A H 0.512307 0.636631 0.395728 0.079 Uiso 1 1 calc R U . . .
H13B H 0.618589 0.682407 0.430637 0.079 Uiso 1 1 calc R U . . .
H13C H 0.540430 0.715079 0.398673 0.079 Uiso 1 1 calc R U . . .
C14 C 0.5234(2) 0.67470(14) 0.52108(13) 0.0452(6) Uani 1 1 d . . . . .
H14A H 0.483654 0.626691 0.495118 0.068 Uiso 1 1 calc R U . . .
H14B H 0.501534 0.698481 0.561752 0.068 Uiso 1 1 calc R U . . .
H14C H 0.591773 0.669073 0.529290 0.068 Uiso 1 1 calc R U . . .
C15 C 0.25347(18) 0.88658(14) 0.54106(11) 0.0361(5) Uani 1 1 d . . . . .
H15 H 0.297302 0.909203 0.583989 0.043 Uiso 1 1 calc R U . . .
C16 C 0.2689(3) 0.93772(17) 0.51067(15) 0.0528(7) Uani 1 1 d . . . . .
H16A H 0.337205 0.943821 0.506742 0.079 Uiso 1 1 calc R U . . .
H16B H 0.252151 0.985134 0.537532 0.079 Uiso 1 1 calc R U . . .
H16C H 0.227290 0.917089 0.468210 0.079 Uiso 1 1 calc R U . . .
C17 C 0.1499(2) 0.87966(19) 0.55198(15) 0.0545(7) Uani 1 1 d . . . . .
H17A H 0.104460 0.860132 0.510992 0.082 Uiso 1 1 calc R U . . .
H17B H 0.136529 0.927675 0.580353 0.082 Uiso 1 1 calc R U . . .
H17C H 0.141900 0.846709 0.571656 0.082 Uiso 1 1 calc R U . . .
C18 C 0.53558(16) 1.04673(10) 0.73869(10) 0.0257(4) Uani 1 1 d . . . . .
C19 C 0.61274(18) 1.06247(12) 0.78960(11) 0.0313(5) Uani 1 1 d . . . . .
C20 C 0.6044(2) 1.11386(13) 0.85059(11) 0.0399(6) Uani 1 1 d . . . . .
H20 H 0.655919 1.125545 0.885651 0.048 Uiso 1 1 calc R U . . .
C21 C 0.5240(2) 1.14782(13) 0.86111(12) 0.0429(6) Uani 1 1 d . . . . .
H21 H 0.519612 1.181740 0.903028 0.052 Uiso 1 1 calc R U . . .
C22 C 0.4493(2) 1.13219(13) 0.81016(13) 0.0425(6) Uani 1 1 d . . . . .
H22 H 0.393975 1.155939 0.817471 0.051 Uiso 1 1 calc R U . . .
C23 C 0.45389(18) 1.08205(12) 0.74809(12) 0.0339(5) Uani 1 1 d . . . . .
C24 C 0.70167(18) 1.02505(13) 0.78124(12) 0.0360(5) Uani 1 1 d . . . . .
H24 H 0.698644 0.995473 0.734438 0.043 Uiso 1 1 calc R U . . .
C25 C 0.7968(2) 1.07946(16) 0.80848(16) 0.0526(7) Uani 1 1 d . . . . .
H25A H 0.851788 1.053179 0.797842 0.079 Uiso 1 1 calc R U . . .
H25B H 0.804336 1.106017 0.855007 0.079 Uiso 1 1 calc R U . . .
H25C H 0.795072 1.113936 0.790007 0.079 Uiso 1 1 calc R U . . .
C26 C 0.7007(2) 0.97311(14) 0.81221(13) 0.0410(6) Uani 1 1 d . . . . .
H26A H 0.639998 0.938298 0.794054 0.061 Uiso 1 1 calc R U . . .
H26B H 0.705480 1.001081 0.858388 0.061 Uiso 1 1 calc R U . . .
H26C H 0.756088 0.946744 0.803982 0.061 Uiso 1 1 calc R U . . .
C27 C 0.3737(2) 1.07083(14) 0.69289(14) 0.0471(6) Uani 1 1 d . . . . .
H27 H 0.385666 1.029752 0.653569 0.057 Uiso 1 1 calc R U . . .
C28 C 0.3760(3) 1.13784(19) 0.68093(16) 0.0573(8) Uani 1 1 d . . . . .
H28A H 0.441453 1.151875 0.675871 0.086 Uiso 1 1 calc R U . . .
H28B H 0.358750 1.177971 0.717250 0.086 Uiso 1 1 calc R U . . .
H28C H 0.329181 1.126827 0.641972 0.086 Uiso 1 1 calc R U . . .
C29 C 0.2739(2) 1.0497(2) 0.7034(2) 0.0699(10) Uani 1 1 d . . . . .
H29A H 0.224319 1.042907 0.667029 0.105 Uiso 1 1 calc R U . . .
H29B H 0.261034 1.088298 0.742599 0.105 Uiso 1 1 calc R U . . .
H29C H 0.271943 1.004195 0.707461 0.105 Uiso 1 1 calc R U . . .
C30 C 0.09948(16) 0.44691(12) 0.86066(11) 0.0282(4) Uani 1 1 d . . . . .
C31 C 0.00150(17) 0.44227(12) 0.86642(12) 0.0317(5) Uani 1 1 d . . . . .
H31 H -0.024444 0.400902 0.870766 0.038 Uiso 1 1 calc R U . . .
C32 C -0.06345(15) 0.49054(12) 0.86663(11) 0.0280(4) Uani 1 1 d . . . . .
C33 C 0.15804(18) 0.39798(14) 0.87872(13) 0.0382(5) Uani 1 1 d . . . . .
H33A H 0.179125 0.363017 0.840923 0.057 Uiso 1 1 calc R U . . .
H33B H 0.117750 0.371677 0.895362 0.057 Uiso 1 1 calc R U . . .
H33C H 0.215201 0.427518 0.911572 0.057 Uiso 1 1 calc R U . . .
C34 C -0.15837(17) 0.48016(14) 0.88694(14) 0.0384(5) Uani 1 1 d . . . . .
H34A H -0.211503 0.460677 0.849659 0.058 Uiso 1 1 calc R U . . .
H34B H -0.169941 0.527066 0.918644 0.058 Uiso 1 1 calc R U . . .
H34C H -0.155395 0.445995 0.905713 0.058 Uiso 1 1 calc R U . . .
C35 C 0.24684(16) 0.49953(12) 0.84448(11) 0.0286(4) Uani 1 1 d . . . . .
C36 C 0.28591(18) 0.44812(14) 0.79509(12) 0.0346(5) Uani 1 1 d . . . . .
C37 C 0.3870(2) 0.45917(16) 0.79983(13) 0.0439(6) Uani 1 1 d . . . . .
H37 H 0.415125 0.425617 0.767151 0.053 Uiso 1 1 calc R U . . .
C38 C 0.44650(19) 0.51711(17) 0.85034(14) 0.0453(6) Uani 1 1 d . . . . .
H38 H 0.514846 0.522896 0.852426 0.054 Uiso 1 1 calc R U . . .
C39 C 0.40700(18) 0.56712(16) 0.89826(13) 0.0395(5) Uani 1 1 d . . . . .
H39 H 0.448515 0.607189 0.932992 0.047 Uiso 1 1 calc R U . . .
C40 C 0.30659(16) 0.55918(13) 0.89596(11) 0.0311(4) Uani 1 1 d . . . . .
C41 C 0.2243(2) 0.38355(14) 0.73771(12) 0.0400(5) Uani 1 1 d . . . . .
H41 H 0.155828 0.380717 0.744758 0.048 Uiso 1 1 calc R U . . .
C42 C 0.2597(3) 0.31155(17) 0.72870(17) 0.0595(8) Uani 1 1 d . . . . .
H42A H 0.212329 0.270525 0.695951 0.089 Uiso 1 1 calc R U . . .
H42B H 0.266601 0.308083 0.769150 0.089 Uiso 1 1 calc R U . . .
H42C H 0.322768 0.310254 0.715273 0.089 Uiso 1 1 calc R U . . .
C43 C 0.2248(2) 0.39299(16) 0.67658(13) 0.0471(6) Uani 1 1 d . . . . .
H43A H 0.182062 0.351912 0.640456 0.071 Uiso 1 1 calc R U . . .
H43B H 0.291188 0.394614 0.668294 0.071 Uiso 1 1 calc R U . . .
H43C H 0.201523 0.438446 0.682016 0.071 Uiso 1 1 calc R U . . .
C44 C 0.26421(17) 0.61424(14) 0.94926(11) 0.0358(5) Uani 1 1 d . . . . .
H44 H 0.199192 0.618255 0.928870 0.043 Uiso 1 1 calc R U . . .
C45 C 0.2462(3) 0.58950(19) 0.99847(15) 0.0683(10) Uani 1 1 d . . . . .
H45A H 0.202522 0.542668 0.977829 0.102 Uiso 1 1 calc R U . . .
H45B H 0.216088 0.625643 1.030393 0.102 Uiso 1 1 calc R U . . .
H45C H 0.308028 0.583989 1.019398 0.102 Uiso 1 1 calc R U . . .
C46 C 0.3232(2) 0.68974(16) 0.98033(16) 0.0518(7) Uani 1 1 d . . . . .
H46A H 0.333550 0.705117 0.947383 0.078 Uiso 1 1 calc R U . . .
H46B H 0.386248 0.689280 1.003647 0.078 Uiso 1 1 calc R U . . .
H46C H 0.288111 0.723793 1.010108 0.078 Uiso 1 1 calc R U . . .
C47 C -0.10485(15) 0.60088(11) 0.86407(10) 0.0242(4) Uani 1 1 d . . . . .
C48 C -0.18869(15) 0.59151(12) 0.81972(10) 0.0270(4) Uani 1 1 d . . . . .
C49 C -0.24240(17) 0.64895(13) 0.83391(11) 0.0330(5) Uani 1 1 d . . . . .
H49 H -0.299553 0.643747 0.804711 0.040 Uiso 1 1 calc R U . . .
C50 C -0.21397(18) 0.71291(13) 0.88943(12) 0.0352(5) Uani 1 1 d . . . . .
H50 H -0.251236 0.751325 0.898073 0.042 Uiso 1 1 calc R U . . .
C51 C -0.13102(17) 0.72112(12) 0.93259(11) 0.0333(5) Uani 1 1 d . . . . .
H51 H -0.111974 0.765300 0.970765 0.040 Uiso 1 1 calc R U . . .
C52 C -0.07505(15) 0.66554(12) 0.92089(10) 0.0267(4) Uani 1 1 d . . . . .
C53 C -0.22285(16) 0.52328(12) 0.75705(11) 0.0310(4) Uani 1 1 d . . . . .
H53 H -0.182213 0.485689 0.757042 0.037 Uiso 1 1 calc R U . . .
C54 C -0.32987(18) 0.49237(15) 0.74908(13) 0.0415(6) Uani 1 1 d . . . . .
H54A H -0.371296 0.527312 0.746403 0.062 Uiso 1 1 calc R U . . .
H54B H -0.338461 0.483605 0.785861 0.062 Uiso 1 1 calc R U . . .
H54C H -0.348062 0.446474 0.709888 0.062 Uiso 1 1 calc R U . . .
C55 C -0.20835(18) 0.53951(14) 0.70079(11) 0.0363(5) Uani 1 1 d . . . . .
H55A H -0.227477 0.494633 0.660752 0.054 Uiso 1 1 calc R U . . .
H55B H -0.139744 0.558572 0.706191 0.054 Uiso 1 1 calc R U . . .
H55C H -0.248570 0.575676 0.699538 0.054 Uiso 1 1 calc R U . . .
C56 C 0.01355(17) 0.67498(13) 0.97028(11) 0.0348(5) Uani 1 1 d . . . . .
H56 H 0.056982 0.640189 0.948115 0.042 Uiso 1 1 calc R U . . .
C57 C -0.0157(3) 0.6568(2) 1.02205(17) 0.0732(11) Uani 1 1 d . . . . .
H57A H -0.050254 0.606700 1.002602 0.110 Uiso 1 1 calc R U . . .
H57B H -0.058392 0.690282 1.044522 0.110 Uiso 1 1 calc R U . . .
H57C H 0.042638 0.661672 1.052429 0.110 Uiso 1 1 calc R U . . .
C58 C 0.0708(2) 0.7504(2) 1.00072(17) 0.0635(9) Uani 1 1 d . . . . .
H58A H 0.084258 0.764292 0.967398 0.095 Uiso 1 1 calc R U . . .
H58B H 0.132355 0.751518 1.026538 0.095 Uiso 1 1 calc R U . . .
H58C H 0.033252 0.784687 1.028109 0.095 Uiso 1 1 calc R U . . .
C59 C 0.38336(16) 0.86757(11) 0.68819(10) 0.0257(4) Uani 1 1 d . . . . .
H59A H 0.372586 0.913305 0.722975 0.031 Uiso 1 1 calc R U . . .
H59B H 0.321389 0.845332 0.656957 0.031 Uiso 1 1 calc R U . . .
C60 C 0.41215(16) 0.81531(12) 0.71608(10) 0.0287(4) Uani 1 1 d . . . . .
H60A H 0.477891 0.835256 0.743106 0.034 Uiso 1 1 calc R U . . .
H60B H 0.416313 0.768109 0.680382 0.034 Uiso 1 1 calc R U . . .
C61 C 0.11882(15) 0.63690(11) 0.80869(10) 0.0255(4) Uani 1 1 d . . . . .
H61A H 0.087857 0.676555 0.837287 0.031 Uiso 1 1 calc R U . . .
H61B H 0.189264 0.647539 0.826932 0.031 Uiso 1 1 calc R U . . .
C62 C 0.10428(16) 0.63527(11) 0.74241(10) 0.0266(4) Uani 1 1 d . . . . .
H62A H 0.033832 0.621702 0.723908 0.032 Uiso 1 1 calc R U . . .
H62B H 0.136914 0.596064 0.714827 0.032 Uiso 1 1 calc R U . . .
C63 C 0.23072(16) 0.86679(12) 0.79801(11) 0.0309(4) Uani 1 1 d . . . . .
H63A H 0.261995 0.912226 0.836123 0.037 Uiso 1 1 calc R U . . .
H63B H 0.199471 0.878488 0.764054 0.037 Uiso 1 1 calc R U . . .
C64 C 0.15866(16) 0.81889(12) 0.81416(10) 0.0306(4) Uani 1 1 d . . . . .
H64A H 0.094684 0.835594 0.816909 0.037 Uiso 1 1 calc R U . . .
H64B H 0.185177 0.816325 0.854091 0.037 Uiso 1 1 calc R U . . .
C65 C 0.40664(14) 0.79373(10) 0.84250(9) 0.0209(4) Uani 1 1 d . . . . .
C66 C 0.46632(14) 0.73931(11) 0.83132(9) 0.0222(4) Uani 1 1 d . . . . .
C67 C 0.51748(15) 0.73078(12) 0.88244(10) 0.0268(4) Uani 1 1 d . . . . .
H67 H 0.555363 0.692751 0.874064 0.032 Uiso 1 1 calc R U . . .
C68 C 0.51342(16) 0.77709(13) 0.94488(11) 0.0321(5) Uani 1 1 d . . . . .
H68 H 0.546250 0.769859 0.979163 0.039 Uiso 1 1 calc R U . . .
C69 C 0.46110(16) 0.83400(13) 0.95692(10) 0.0311(4) Uani 1 1 d . . . . .
H69 H 0.460556 0.867015 0.999852 0.037 Uiso 1 1 calc R U . . .
C70 C 0.40899(14) 0.84387(11) 0.90708(9) 0.0241(4) Uani 1 1 d . . . . .
C71 C 0.48659(14) 0.69177(10) 0.76676(9) 0.0224(4) Uani 1 1 d . . . . .
C72 C 0.43133(16) 0.62284(11) 0.72792(10) 0.0277(4) Uani 1 1 d . . . . .
C73 C 0.46013(17) 0.57730(12) 0.67182(11) 0.0317(5) Uani 1 1 d . . . . .
H73 H 0.423411 0.530170 0.646129 0.038 Uiso 1 1 calc R U . . .
C74 C 0.54075(17) 0.59879(12) 0.65246(10) 0.0309(5) Uani 1 1 d . . . . .
C75 C 0.59369(16) 0.66791(12) 0.69051(10) 0.0280(4) Uani 1 1 d . . . . .
H75 H 0.647801 0.683928 0.677038 0.034 Uiso 1 1 calc R U . . .
C76 C 0.56922(14) 0.71444(11) 0.74814(9) 0.0231(4) Uani 1 1 d . . . . .
C77 C 0.34240(17) 0.59786(13) 0.74669(13) 0.0361(5) Uani 1 1 d . . . . .
H77A H 0.304678 0.637752 0.762509 0.054 Uiso 1 1 calc R U . . .
H77B H 0.362237 0.583165 0.780354 0.054 Uiso 1 1 calc R U . . .
H77C H 0.302359 0.556384 0.709424 0.054 Uiso 1 1 calc R U . . .
C78 C 0.5702(2) 0.54814(14) 0.59132(11) 0.0418(6) Uani 1 1 d . . . . .
H78A H 0.518060 0.537284 0.554948 0.063 Uiso 1 1 calc R U . . .
H78B H 0.581817 0.502827 0.593297 0.063 Uiso 1 1 calc R U . . .
H78C H 0.629856 0.571493 0.586129 0.063 Uiso 1 1 calc R U . . .
C79 C 0.63384(15) 0.78652(11) 0.78940(10) 0.0268(4) Uani 1 1 d . . . . .
H79A H 0.661531 0.804955 0.762202 0.040 Uiso 1 1 calc R U . . .
H79B H 0.686510 0.780119 0.817438 0.040 Uiso 1 1 calc R U . . .
H79C H 0.595509 0.821369 0.815399 0.040 Uiso 1 1 calc R U . . .
C80 C 0.36521(16) 0.91253(11) 0.92611(10) 0.0278(4) Uani 1 1 d . . . . .
C81 C 0.28548(18) 0.92244(13) 0.95687(11) 0.0352(5) Uani 1 1 d . . . . .
C82 C 0.24434(19) 0.98583(14) 0.97092(13) 0.0435(6) Uani 1 1 d . . . . .
H82 H 0.189343 0.991775 0.990938 0.052 Uiso 1 1 calc R U . . .
C83 C 0.28129(19) 1.03989(13) 0.95656(14) 0.0450(6) Uani 1 1 d . . . . .
C84 C 0.36458(18) 1.03180(12) 0.93028(13) 0.0382(5) Uani 1 1 d . . . . .
H84 H 0.392600 1.069483 0.921749 0.046 Uiso 1 1 calc R U . . .
C85 C 0.40808(16) 0.96966(12) 0.91609(11) 0.0318(5) Uani 1 1 d . . . . .
C86 C 0.2412(2) 0.86675(16) 0.97545(13) 0.0447(6) Uani 1 1 d . . . . .
H86A H 0.171785 0.869216 0.974891 0.067 Uiso 1 1 calc R U . . .
H86B H 0.273877 0.876908 1.018481 0.067 Uiso 1 1 calc R U . . .
H86C H 0.249224 0.817985 0.945044 0.067 Uiso 1 1 calc R U . . .
C87 C 0.2333(2) 1.10669(16) 0.9692(2) 0.0665(10) Uani 1 1 d . . . . .
H87A H 0.212580 1.109070 0.928849 0.100 Uiso 1 1 calc R U . . .
H87B H 0.279752 1.150424 0.998509 0.100 Uiso 1 1 calc R U . . .
H87C H 0.176502 1.103779 0.988378 0.100 Uiso 1 1 calc R U . . .
C88 C 0.50003(17) 0.96520(12) 0.88934(12) 0.0357(5) Uani 1 1 d . . . . .
H88A H 0.485943 0.929486 0.844255 0.054 Uiso 1 1 calc R U . . .
H88B H 0.548676 0.950226 0.913266 0.054 Uiso 1 1 calc R U . . .
H88C H 0.525266 1.012995 0.893118 0.054 Uiso 1 1 calc R U . . .
C89 C 0.00491(17) 0.77869(13) 0.66634(12) 0.0340(5) Uani 1 1 d . . . . .
C90 C -0.0457(2) 0.77913(15) 0.61096(14) 0.0460(6) Uani 1 1 d . . . . .
H90 H -0.088760 0.813267 0.614666 0.055 Uiso 1 1 calc R U . . .
C91 C -0.0335(2) 0.73033(16) 0.55085(13) 0.0509(7) Uani 1 1 d . . . . .
H91 H -0.065322 0.732621 0.513715 0.061 Uiso 1 1 calc R U . . .
C92 C 0.0255(2) 0.67830(14) 0.54562(12) 0.0423(6) Uani 1 1 d . . . . .
H92 H 0.033617 0.644507 0.504564 0.051 Uiso 1 1 calc R U . . .
C93 C 0.07333(17) 0.67488(12) 0.60000(10) 0.0311(4) Uani 1 1 d . . . . .
C94 C -0.01608(17) 0.83335(13) 0.72823(12) 0.0344(5) Uani 1 1 d . . . . .
C95 C 0.01819(18) 0.90769(13) 0.75065(13) 0.0379(5) Uani 1 1 d . . . . .
C96 C 0.00395(19) 0.95821(15) 0.81019(13) 0.0425(6) Uani 1 1 d . . . . .
H96 H 0.029896 1.008138 0.825732 0.051 Uiso 1 1 calc R U . . .
C97 C -0.04761(19) 0.93635(17) 0.84689(14) 0.0465(6) Uani 1 1 d . . . . .
C98 C -0.08711(19) 0.86295(17) 0.82180(15) 0.0470(6) Uani 1 1 d . . . . .
H98 H -0.125168 0.847624 0.845463 0.056 Uiso 1 1 calc R U . . .
C99 C -0.07252(17) 0.81145(15) 0.76319(14) 0.0405(5) Uani 1 1 d . . . . .
C100 C 0.0711(2) 0.93545(15) 0.71185(14) 0.0460(6) Uani 1 1 d . . . . .
H10A H 0.112892 0.900798 0.689898 0.069 Uiso 1 1 calc R U . . .
H10B H 0.111052 0.982769 0.740252 0.069 Uiso 1 1 calc R U . . .
H10C H 0.023615 0.940780 0.680232 0.069 Uiso 1 1 calc R U . . .
C101 C -0.0596(2) 0.9907(2) 0.91163(15) 0.0611(8) Uani 1 1 d . . . . .
H10D H -0.019128 1.037387 0.923413 0.092 Uiso 1 1 calc R U . . .
H10E H -0.039571 0.973027 0.943197 0.092 Uiso 1 1 calc R U . . .
H10F H -0.127979 0.997295 0.910518 0.092 Uiso 1 1 calc R U . . .
C102 C -0.1158(2) 0.73264(17) 0.74003(18) 0.0546(8) Uani 1 1 d . . . . .
H10G H -0.135104 0.709362 0.693380 0.082 Uiso 1 1 calc R U . . .
H10H H -0.172969 0.730057 0.758970 0.082 Uiso 1 1 calc R U . . .
H10I H -0.067340 0.707423 0.752741 0.082 Uiso 1 1 calc R U . . .
C103 C 0.12500(17) 0.61131(12) 0.58846(10) 0.0302(4) Uani 1 1 d . . . . .
C104 C 0.21922(17) 0.61230(13) 0.57450(10) 0.0338(5) Uani 1 1 d . . . . .
C105 C 0.26206(18) 0.55057(15) 0.55792(11) 0.0379(5) Uani 1 1 d . . . . .
H105 H 0.325030 0.551463 0.547656 0.045 Uiso 1 1 calc R U . . .
C106 C 0.21613(18) 0.48763(14) 0.55583(10) 0.0357(5) Uani 1 1 d . . . . .
C107 C 0.12441(17) 0.48726(12) 0.57088(10) 0.0298(4) Uani 1 1 d . . . . .
H107 H 0.093517 0.444707 0.571345 0.036 Uiso 1 1 calc R U . . .
C108 C 0.07562(16) 0.54689(11) 0.58539(9) 0.0266(4) Uani 1 1 d . . . . .
C109 C 0.2705(2) 0.68080(16) 0.57642(13) 0.0492(7) Uani 1 1 d . . . . .
H10J H 0.339991 0.678245 0.577679 0.074 Uiso 1 1 calc R U . . .
H10K H 0.261862 0.723043 0.614608 0.074 Uiso 1 1 calc R U . . .
H10L H 0.242881 0.685577 0.538205 0.074 Uiso 1 1 calc R U . . .
C110 C 0.2625(2) 0.41969(16) 0.53507(14) 0.0486(6) Uani 1 1 d . . . . .
H11A H 0.238736 0.388701 0.489323 0.073 Uiso 1 1 calc R U . . .
H11B H 0.245613 0.393136 0.559156 0.073 Uiso 1 1 calc R U . . .
H11C H 0.333349 0.433111 0.543260 0.073 Uiso 1 1 calc R U . . .
C111 C -0.02913(16) 0.53901(12) 0.59212(10) 0.0302(4) Uani 1 1 d . . . . .
H11D H -0.070931 0.514920 0.549643 0.045 Uiso 1 1 calc R U . . .
H11E H -0.046186 0.587256 0.616042 0.045 Uiso 1 1 calc R U . . .
H11F H -0.038468 0.509714 0.615057 0.045 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C63 Ge1 C60 116.75(9) . . ?
C63 Ge1 C65 110.29(9) . . ?
C60 Ge1 C65 106.77(8) . . ?
C63 Ge1 Ge2 71.27(7) . . ?
C60 Ge1 Ge2 132.38(7) . . ?
C65 Ge1 Ge2 113.77(6) . . ?
C64 Ge2 C62 117.51(9) . . ?
C64 Ge2 C010 109.52(9) . . ?
C62 Ge2 C010 107.85(9) . . ?
C64 Ge2 Ge1 71.42(7) . . ?
C62 Ge2 Ge1 130.68(6) . . ?
C010 Ge2 Ge1 114.02(6) . . ?
N2 Ga1 N1 96.38(7) . . ?
N2 Ga1 C59 118.08(8) . . ?
N1 Ga1 C59 120.54(8) . . ?
N2 Ga1 Cl1 102.51(5) . . ?
N1 Ga1 Cl1 102.35(6) . . ?
C59 Ga1 Cl1 113.90(6) . . ?
N4 Ga2 N3 96.40(7) . . ?
N4 Ga2 C61 117.59(8) . . ?
N3 Ga2 C61 120.13(8) . . ?
N4 Ga2 Cl2 102.73(6) . . ?
N3 Ga2 Cl2 101.17(5) . . ?
C61 Ga2 Cl2 115.51(6) . . ?
C1 N1 C6 119.86(17) . . ?
C1 N1 Ga1 118.39(15) . . ?
C6 N1 Ga1 121.35(13) . . ?
C3 N2 C18 119.78(17) . . ?
C3 N2 Ga1 119.10(14) . . ?
C18 N2 Ga1 121.01(13) . . ?
C30 N3 C35 120.20(17) . . ?
C30 N3 Ga2 118.87(14) . . ?
C35 N3 Ga2 120.74(13) . . ?
C32 N4 C47 120.42(17) . . ?
C32 N4 Ga2 119.05(14) . . ?
C47 N4 Ga2 120.40(13) . . ?
N1 C1 C2 124.00(19) . . ?
N1 C1 C4 120.2(2) . . ?
C2 C1 C4 115.77(19) . . ?
C1 C2 C3 129.2(2) . . ?
N2 C3 C2 123.0(2) . . ?
N2 C3 C5 119.32(19) . . ?
C2 C3 C5 117.63(19) . . ?
C11 C6 C7 121.7(2) . . ?
C11 C6 N1 118.2(2) . . ?
C7 C6 N1 120.1(2) . . ?
C8 C7 C6 117.5(2) . . ?
C8 C7 C12 119.2(2) . . ?
C6 C7 C12 123.3(2) . . ?
C9 C8 C7 121.8(3) . . ?
C8 C9 C10 119.7(3) . . ?
C9 C10 C11 121.3(3) . . ?
C93 C010 C89 117.28(19) . . ?
C93 C010 Ge2 118.54(16) . . ?
C89 C010 Ge2 124.17(17) . . ?
C10 C11 C6 117.8(2) . . ?
C10 C11 C15 120.9(2) . . ?
C6 C11 C15 121.3(2) . . ?
C7 C12 C14 110.9(2) . . ?
C7 C12 C13 112.4(2) . . ?
C14 C12 C13 110.2(2) . . ?
C17 C15 C11 112.9(2) . . ?
C17 C15 C16 111.0(2) . . ?
C11 C15 C16 111.2(2) . . ?
C23 C18 C19 121.4(2) . . ?
C23 C18 N2 117.85(19) . . ?
C19 C18 N2 120.78(19) . . ?
C20 C19 C18 117.6(2) . . ?
C20 C19 C24 119.6(2) . . ?
C18 C19 C24 122.8(2) . . ?
C21 C20 C19 121.9(2) . . ?
C20 C21 C22 119.5(2) . . ?
C21 C22 C23 121.2(2) . . ?
C22 C23 C18 118.3(2) . . ?
C22 C23 C27 119.3(2) . . ?
C18 C23 C27 122.3(2) . . ?
C19 C24 C26 110.2(2) . . ?
C19 C24 C25 112.3(2) . . ?
C26 C24 C25 110.3(2) . . ?
C29 C27 C28 110.5(3) . . ?
C29 C27 C23 111.8(3) . . ?
C28 C27 C23 111.5(2) . . ?
N3 C30 C31 123.92(19) . . ?
N3 C30 C33 119.48(19) . . ?
C31 C30 C33 116.58(19) . . ?
C30 C31 C32 128.7(2) . . ?
N4 C32 C31 123.17(19) . . ?
N4 C32 C34 119.82(19) . . ?
C31 C32 C34 117.00(19) . . ?
C40 C35 C36 121.4(2) . . ?
C40 C35 N3 118.23(19) . . ?
C36 C35 N3 120.3(2) . . ?
C37 C36 C35 117.3(2) . . ?
C37 C36 C41 119.2(2) . . ?
C35 C36 C41 123.5(2) . . ?
C38 C37 C36 121.9(2) . . ?
C37 C38 C39 120.1(2) . . ?
C38 C39 C40 120.6(3) . . ?
C39 C40 C35 118.7(2) . . ?
C39 C40 C44 120.1(2) . . ?
C35 C40 C44 121.23(19) . . ?
C36 C41 C43 110.8(2) . . ?
C36 C41 C42 111.7(2) . . ?
C43 C41 C42 109.3(2) . . ?
C45 C44 C46 110.8(2) . . ?
C45 C44 C40 112.8(2) . . ?
C46 C44 C40 113.4(2) . . ?
C52 C47 C48 121.56(18) . . ?
C52 C47 N4 117.84(18) . . ?
C48 C47 N4 120.56(18) . . ?
C49 C48 C47 117.9(2) . . ?
C49 C48 C53 118.56(19) . . ?
C47 C48 C53 123.56(18) . . ?
C50 C49 C48 121.3(2) . . ?
C49 C50 C51 120.0(2) . . ?
C50 C51 C52 121.1(2) . . ?
C51 C52 C47 118.2(2) . . ?
C51 C52 C56 119.9(2) . . ?
C47 C52 C56 121.82(19) . . ?
C48 C53 C55 110.09(19) . . ?
C48 C53 C54 111.59(19) . . ?
C55 C53 C54 110.3(2) . . ?
C58 C56 C57 109.2(3) . . ?
C58 C56 C52 112.7(2) . . ?
C57 C56 C52 111.0(2) . . ?
C60 C59 Ga1 112.29(14) . . ?
C59 C60 Ge1 115.47(15) . . ?
C62 C61 Ga2 112.12(14) . . ?
C61 C62 Ge2 117.24(14) . . ?
C64 C63 Ge1 97.76(14) . . ?
C63 C64 Ge2 98.15(14) . . ?
C66 C65 C70 117.49(17) . . ?
C66 C65 Ge1 119.41(14) . . ?
C70 C65 Ge1 123.10(14) . . ?
C67 C66 C65 120.59(18) . . ?
C67 C66 C71 115.45(18) . . ?
C65 C66 C71 123.77(17) . . ?
C68 C67 C66 120.80(19) . . ?
C69 C68 C67 119.4(2) . . ?
C68 C69 C70 121.3(2) . . ?
C69 C70 C65 120.13(19) . . ?
C69 C70 C80 116.16(18) . . ?
C65 C70 C80 123.48(18) . . ?
C72 C71 C76 119.69(18) . . ?
C72 C71 C66 121.50(18) . . ?
C76 C71 C66 118.49(18) . . ?
C73 C72 C71 119.3(2) . . ?
C73 C72 C77 120.2(2) . . ?
C71 C72 C77 120.5(2) . . ?
C74 C73 C72 121.9(2) . . ?
C73 C74 C75 118.4(2) . . ?
C73 C74 C78 120.7(2) . . ?
C75 C74 C78 120.9(2) . . ?
C74 C75 C76 121.6(2) . . ?
C75 C76 C71 119.14(19) . . ?
C75 C76 C79 118.87(18) . . ?
C71 C76 C79 121.97(18) . . ?
C81 C80 C85 118.9(2) . . ?
C81 C80 C70 121.5(2) . . ?
C85 C80 C70 119.48(19) . . ?
C82 C81 C80 119.4(2) . . ?
C82 C81 C86 118.2(2) . . ?
C80 C81 C86 122.4(2) . . ?
C83 C82 C81 121.9(2) . . ?
C82 C83 C84 118.1(2) . . ?
C82 C83 C87 121.4(3) . . ?
C84 C83 C87 120.5(3) . . ?
C83 C84 C85 121.6(2) . . ?
C84 C85 C80 119.7(2) . . ?
C84 C85 C88 118.9(2) . . ?
C80 C85 C88 121.4(2) . . ?
C90 C89 C010 120.5(2) . . ?
C90 C89 C94 115.5(2) . . ?
C010 C89 C94 123.9(2) . . ?
C91 C90 C89 120.9(2) . . ?
C92 C91 C90 119.3(2) . . ?
C91 C92 C93 120.8(2) . . ?
C92 C93 C010 121.0(2) . . ?
C92 C93 C103 116.1(2) . . ?
C010 C93 C103 122.87(19) . . ?
C99 C94 C95 119.0(2) . . ?
C99 C94 C89 120.7(2) . . ?
C95 C94 C89 120.2(2) . . ?
C96 C95 C94 120.2(2) . . ?
C96 C95 C100 118.3(2) . . ?
C94 C95 C100 121.5(2) . . ?
C97 C96 C95 120.9(3) . . ?
C96 C97 C98 118.0(3) . . ?
C96 C97 C101 120.4(3) . . ?
C98 C97 C101 121.6(3) . . ?
C99 C98 C97 122.1(3) . . ?
C98 C99 C94 119.4(3) . . ?
C98 C99 C102 118.9(3) . . ?
C94 C99 C102 121.7(3) . . ?
C104 C103 C108 119.5(2) . . ?
C104 C103 C93 120.6(2) . . ?
C108 C103 C93 119.7(2) . . ?
C105 C104 C103 119.7(2) . . ?
C105 C104 C109 121.2(2) . . ?
C103 C104 C109 119.1(2) . . ?
C106 C105 C104 121.8(2) . . ?
C105 C106 C107 118.3(2) . . ?
C105 C106 C110 121.1(2) . . ?
C107 C106 C110 120.6(2) . . ?
C106 C107 C108 122.5(2) . . ?
C107 C108 C103 118.0(2) . . ?
C107 C108 C111 119.5(2) . . ?
C103 C108 C111 122.4(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 C63 1.982(2) . ?
Ge1 C60 1.986(2) . ?
Ge1 C65 2.0129(19) . ?
Ge1 Ge2 2.5440(3) . ?
Ge2 C64 1.973(2) . ?
Ge2 C62 1.982(2) . ?
Ge2 C010 2.020(2) . ?
Ga1 N2 1.9565(17) . ?
Ga1 N1 1.9636(17) . ?
Ga1 C59 1.977(2) . ?
Ga1 Cl1 2.2292(6) . ?
Ga2 N4 1.9562(17) . ?
Ga2 N3 1.9577(17) . ?
Ga2 C61 1.990(2) . ?
Ga2 Cl2 2.2322(6) . ?
N1 C1 1.331(3) . ?
N1 C6 1.453(3) . ?
N2 C3 1.334(3) . ?
N2 C18 1.446(3) . ?
N3 C30 1.330(3) . ?
N3 C35 1.449(3) . ?
N4 C32 1.330(3) . ?
N4 C47 1.453(2) . ?
C1 C2 1.395(3) . ?
C1 C4 1.517(3) . ?
C2 C3 1.401(3) . ?
C3 C5 1.503(3) . ?
C6 C11 1.401(3) . ?
C6 C7 1.407(3) . ?
C7 C8 1.401(4) . ?
C7 C12 1.517(4) . ?
C8 C9 1.367(4) . ?
C9 C10 1.387(4) . ?
C10 C11 1.396(3) . ?
C010 C93 1.414(3) . ?
C010 C89 1.416(3) . ?
C11 C15 1.522(4) . ?
C12 C14 1.530(3) . ?
C12 C13 1.541(3) . ?
C15 C17 1.518(4) . ?
C15 C16 1.524(4) . ?
C18 C23 1.403(3) . ?
C18 C19 1.406(3) . ?
C19 C20 1.403(3) . ?
C19 C24 1.515(3) . ?
C20 C21 1.376(4) . ?
C21 C22 1.385(4) . ?
C22 C23 1.399(3) . ?
C23 C27 1.523(4) . ?
C24 C26 1.533(3) . ?
C24 C25 1.534(4) . ?
C27 C29 1.518(5) . ?
C27 C28 1.521(4) . ?
C30 C31 1.402(3) . ?
C30 C33 1.512(3) . ?
C31 C32 1.404(3) . ?
C32 C34 1.507(3) . ?
C35 C40 1.400(3) . ?
C35 C36 1.414(3) . ?
C36 C37 1.401(4) . ?
C36 C41 1.515(4) . ?
C37 C38 1.374(4) . ?
C38 C39 1.385(4) . ?
C39 C40 1.398(3) . ?
C40 C44 1.523(3) . ?
C41 C43 1.537(4) . ?
C41 C42 1.541(3) . ?
C44 C45 1.497(4) . ?
C44 C46 1.511(4) . ?
C47 C52 1.404(3) . ?
C47 C48 1.405(3) . ?
C48 C49 1.401(3) . ?
C48 C53 1.518(3) . ?
C49 C50 1.379(3) . ?
C50 C51 1.386(3) . ?
C51 C52 1.395(3) . ?
C52 C56 1.522(3) . ?
C53 C55 1.536(3) . ?
C53 C54 1.537(3) . ?
C56 C58 1.501(4) . ?
C56 C57 1.519(4) . ?
C59 C60 1.537(3) . ?
C61 C62 1.535(3) . ?
C63 C64 1.551(3) . ?
C65 C66 1.412(3) . ?
C65 C70 1.423(3) . ?
C66 C67 1.403(3) . ?
C66 C71 1.500(3) . ?
C67 C68 1.383(3) . ?
C68 C69 1.383(3) . ?
C69 C70 1.399(3) . ?
C70 C80 1.503(3) . ?
C71 C72 1.402(3) . ?
C71 C76 1.409(3) . ?
C72 C73 1.394(3) . ?
C72 C77 1.504(3) . ?
C73 C74 1.386(3) . ?
C74 C75 1.390(3) . ?
C74 C78 1.513(3) . ?
C75 C76 1.398(3) . ?
C76 C79 1.507(3) . ?
C80 C81 1.400(3) . ?
C80 C85 1.401(3) . ?
C81 C82 1.399(3) . ?
C81 C86 1.510(4) . ?
C82 C83 1.378(4) . ?
C83 C84 1.388(4) . ?
C83 C87 1.516(4) . ?
C84 C85 1.394(3) . ?
C85 C88 1.507(3) . ?
C89 C90 1.404(3) . ?
C89 C94 1.501(3) . ?
C90 C91 1.388(4) . ?
C91 C92 1.384(4) . ?
C92 C93 1.398(3) . ?
C93 C103 1.491(3) . ?
C94 C99 1.397(4) . ?
C94 C95 1.403(3) . ?
C95 C96 1.399(4) . ?
C95 C100 1.511(4) . ?
C96 C97 1.389(4) . ?
C97 C98 1.395(4) . ?
C97 C101 1.502(4) . ?
C98 C99 1.392(4) . ?
C99 C102 1.512(4) . ?
C103 C104 1.409(3) . ?
C103 C108 1.413(3) . ?
C104 C105 1.378(4) . ?
C104 C109 1.509(3) . ?
C105 C106 1.377(4) . ?
C106 C107 1.384(3) . ?
C106 C110 1.509(4) . ?
C107 C108 1.393(3) . ?
C108 C111 1.505(3) . ?
