#------------------------------------------------------------------------------
#$Date: 2021-03-05 04:05:04 +0200 (Fri, 05 Mar 2021) $
#$Revision: 262643 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/64/7706495.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_7706495
loop_
_publ_author_name
'Ouellette, Erik T.'
'Carpentier, Ambre'
'Joseph Brackbill, I.'
'Lohrey, Trevor D.'
'Douair, Iskander'
'Maron, Laurent'
'Bergman, Robert G.'
'Arnold, John'
_publ_section_title
;
 σ or π? Bonding interactions in a series of rhenium metallotetrylenes.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2083
_journal_page_last               2092
_journal_paper_doi               10.1039/d1dt00129a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C68 H92 Ge N4 Re2, C5 H12'
_chemical_formula_sum            'C73 H104 Ge N4 Re2'
_chemical_formula_weight         1482.59
_chemical_melting_point          414.5(15)
_chemical_name_systematic        Ge[Re(η5-Cp)(BDI)]2
_chemical_properties_physical    Air-sensitive
_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     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-12-08 deposited with the CCDC.	2021-01-22 downloaded from the CCDC.
;
_cell_angle_alpha                103.050(2)
_cell_angle_beta                 102.812(2)
_cell_angle_gamma                96.440(2)
_cell_formula_units_Z            2
_cell_length_a                   12.4047(5)
_cell_length_b                   16.4384(7)
_cell_length_c                   17.3177(8)
_cell_measurement_reflns_used    50181
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.315
_cell_measurement_theta_min      2.066
_cell_volume                     3305.2(3)
_computing_cell_refinement       'SAINT V8.38A Bruker, Madison WI'
_computing_data_collection       'Bruker APEX3 Bruker, Madison WI'
_computing_data_reduction        'SAINT V8.38A Bruker, Madison WI'
_computing_molecular_graphics    ORTEP-32
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SHELXT
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.42
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 with PHOTON-II CPAD detector'
_diffrn_measurement_method       'φ and ω shutterless scans'
_diffrn_radiation_monochromator  'silicon 111'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7288
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_av_unetI/netI     0.0409
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            50181
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.930
_diffrn_reflns_theta_max         28.315
_diffrn_reflns_theta_min         2.066
_diffrn_source                   'Advanced Light Source, station 12.2.1'
_exptl_absorpt_coefficient_mu    4.396
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5974
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_description       block
_exptl_crystal_F_000             1504
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: pentane'
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.015
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     743
_refine_ls_number_reflns         15203
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0139P)²+3.4619P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0522
_refine_ls_wR_factor_ref         0.0563
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13099
_reflns_number_total             15203
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00129a2.cif
_cod_data_source_block           3_GeRe2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value '413-416' was changed to
'414.5(15)' -- the average value was taken and precision was
estimated.

data item '_atom_sites_solution_secondary' value 'diffmap' was
changed to 'difmap'.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7706490--7706495.cif.
;
_cod_original_cell_volume        3305.2(2)
_cod_database_code               7706495
_shelx_shelxl_version_number     2014/7
_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.
;
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
C1 C 0.4887(2) 0.4048(2) 0.8301(2) 0.0230(7) Uani 1 1 d . . . . .
H1 H 0.4939 0.4360 0.7906 0.028 Uiso 1 1 calc R U . . .
C2 C 0.4519(3) 0.4320(2) 0.9019(2) 0.0254(7) Uani 1 1 d . . . . .
H2 H 0.4277 0.4844 0.9192 0.030 Uiso 1 1 calc R U . . .
C3 C 0.4577(3) 0.3669(2) 0.94315(19) 0.0255(7) Uani 1 1 d . . . . .
H3 H 0.4383 0.3682 0.9935 0.031 Uiso 1 1 calc R U . . .
C4 C 0.4975(3) 0.2988(2) 0.8964(2) 0.0267(8) Uani 1 1 d . . . . .
H4 H 0.5088 0.2470 0.9100 0.032 Uiso 1 1 calc R U . . .
C5 C 0.5170(3) 0.3221(2) 0.8271(2) 0.0244(7) Uani 1 1 d . . . . .
H5 H 0.5441 0.2889 0.7854 0.029 Uiso 1 1 calc R U . . .
C6 C 0.3773(3) 0.45669(18) 0.6249(2) 0.0221(7) Uani 1 1 d . . . . .
H6 H 0.4166 0.4726 0.6812 0.027 Uiso 1 1 calc R U . . .
C7 C 0.2580(3) 0.43979(18) 0.5939(2) 0.0217(7) Uani 1 1 d . . . . .
H7 H 0.2046 0.4429 0.6258 0.026 Uiso 1 1 calc R U . . .
C8 C 0.2338(3) 0.41766(19) 0.5076(2) 0.0221(7) Uani 1 1 d . . . . .
H8 H 0.1614 0.4025 0.4706 0.027 Uiso 1 1 calc R U . . .
C9 C 0.3390(3) 0.42234(18) 0.4862(2) 0.0232(7) Uani 1 1 d . . . . .
H9 H 0.3484 0.4113 0.4321 0.028 Uiso 1 1 calc R U . . .
C10 C 0.4266(3) 0.44616(18) 0.5593(2) 0.0220(7) Uani 1 1 d . . . . .
H10 H 0.5048 0.4536 0.5629 0.026 Uiso 1 1 calc R U . . .
C11 C 0.3121(3) 0.1262(2) 0.8355(2) 0.0237(7) Uani 1 1 d . . . . .
C12 C 0.3442(3) 0.1171(2) 0.9154(2) 0.0338(9) Uani 1 1 d . . . . .
C13 C 0.4302(4) 0.2020(3) 1.0625(2) 0.0585(14) Uani 1 1 d . . . . .
H13A H 0.4414 0.1518 1.0829 0.088 Uiso 1 1 calc R U . . .
H13B H 0.4189 0.2472 1.1062 0.088 Uiso 1 1 calc R U . . .
H13C H 0.4965 0.2214 1.0453 0.088 Uiso 1 1 calc R U . . .
C14 C 0.3264(3) 0.1795(2) 0.9889(2) 0.0362(9) Uani 1 1 d . . . . .
H14 H 0.3134 0.2329 0.9725 0.043 Uiso 1 1 calc R U . . .
C15 C 0.2222(4) 0.1459(3) 1.0129(3) 0.0554(13) Uani 1 1 d . . . . .
H15A H 0.1556 0.1398 0.9679 0.083 Uiso 1 1 calc R U . . .
H15B H 0.2149 0.1856 1.0622 0.083 Uiso 1 1 calc R U . . .
H15C H 0.2293 0.0906 1.0240 0.083 Uiso 1 1 calc R U . . .
C16 C 0.3904(4) 0.0466(3) 0.9281(2) 0.0514(12) Uani 1 1 d . . . . .
H16 H 0.4110 0.0394 0.9820 0.062 Uiso 1 1 calc R U . . .
C17 C 0.4071(4) -0.0133(3) 0.8634(2) 0.0584(14) Uani 1 1 d . . . . .
H17 H 0.4367 -0.0621 0.8725 0.070 Uiso 1 1 calc R U . . .
C18 C 0.3805(4) -0.0013(2) 0.7858(2) 0.0420(10) Uani 1 1 d . . . . .
H18 H 0.3947 -0.0413 0.7418 0.050 Uiso 1 1 calc R U . . .
C19 C 0.3333(3) 0.0679(2) 0.7701(2) 0.0260(7) Uani 1 1 d . . . . .
C20 C 0.4240(3) 0.1040(2) 0.6668(2) 0.0279(8) Uani 1 1 d . . . . .
H20A H 0.4668 0.1540 0.7097 0.042 Uiso 1 1 calc R U . . .
H20B H 0.4115 0.1171 0.6134 0.042 Uiso 1 1 calc R U . . .
H20C H 0.4661 0.0570 0.6663 0.042 Uiso 1 1 calc R U . . .
C21 C 0.3108(3) 0.07891(19) 0.68403(18) 0.0211(7) Uani 1 1 d . . . . .
H21 H 0.2680 0.1267 0.6818 0.025 Uiso 1 1 calc R U . . .
C22 C 0.2434(3) 0.0007(2) 0.6184(2) 0.0296(8) Uani 1 1 d . . . . .
H22A H 0.2864 -0.0458 0.6169 0.044 Uiso 1 1 calc R U . . .
H22B H 0.2279 0.0137 0.5649 0.044 Uiso 1 1 calc R U . . .
H22C H 0.1724 -0.0159 0.6312 0.044 Uiso 1 1 calc R U . . .
C23 C 0.0868(3) 0.0771(2) 0.7877(2) 0.0314(8) Uani 1 1 d . . . . .
H23A H 0.1021 0.0442 0.7378 0.047 Uiso 1 1 calc R U . . .
H23B H 0.0055 0.0720 0.7807 0.047 Uiso 1 1 calc R U . . .
H23C H 0.1198 0.0556 0.8343 0.047 Uiso 1 1 calc R U . . .
C24 C 0.1374(3) 0.16914(19) 0.80350(18) 0.0207(7) Uani 1 1 d . . . . .
C25 C 0.0625(3) 0.2261(2) 0.80105(18) 0.0210(7) Uani 1 1 d . . . . .
H25 H -0.0142 0.2016 0.7771 0.025 Uiso 1 1 calc R U . . .
C26 C 0.0849(2) 0.31357(19) 0.82885(18) 0.0180(6) Uani 1 1 d . . . . .
C27 C -0.0155(3) 0.3572(2) 0.8334(2) 0.0238(7) Uani 1 1 d . . . . .
H27A H 0.0030 0.4033 0.8837 0.036 Uiso 1 1 calc R U . . .
H27B H -0.0791 0.3162 0.8335 0.036 Uiso 1 1 calc R U . . .
H27C H -0.0354 0.3805 0.7857 0.036 Uiso 1 1 calc R U . . .
C28 C 0.2005(2) 0.44280(18) 0.90506(18) 0.0162(6) Uani 1 1 d . . . . .
C29 C 0.2003(2) 0.44822(19) 0.98736(18) 0.0180(6) Uani 1 1 d . . . . .
C30 C 0.2835(3) 0.3869(2) 1.10313(19) 0.0278(8) Uani 1 1 d . . . . .
H30A H 0.3571 0.4049 1.0947 0.042 Uiso 1 1 calc R U . . .
H30B H 0.2838 0.3343 1.1209 0.042 Uiso 1 1 calc R U . . .
H30C H 0.2674 0.4312 1.1453 0.042 Uiso 1 1 calc R U . . .
C31 C 0.1930(3) 0.3715(2) 1.02246(19) 0.0218(7) Uani 1 1 d . . . . .
H31 H 0.2059 0.3220 0.9821 0.026 Uiso 1 1 calc R U . . .
C32 C 0.0779(3) 0.3492(2) 1.0383(2) 0.0352(9) Uani 1 1 d . . . . .
H32A H 0.0616 0.3984 1.0749 0.053 Uiso 1 1 calc R U . . .
H32B H 0.0783 0.3017 1.0638 0.053 Uiso 1 1 calc R U . . .
H32C H 0.0201 0.3330 0.9862 0.053 Uiso 1 1 calc R U . . .
C33 C 0.2055(3) 0.5274(2) 1.03945(19) 0.0232(7) Uani 1 1 d . . . . .
H33 H 0.2044 0.5314 1.0949 0.028 Uiso 1 1 calc R U . . .
C34 C 0.2121(3) 0.5999(2) 1.0124(2) 0.0265(7) Uani 1 1 d . . . . .
H34 H 0.2154 0.6535 1.0487 0.032 Uiso 1 1 calc R U . . .
C35 C 0.2138(3) 0.5940(2) 0.9325(2) 0.0239(7) Uani 1 1 d . . . . .
H35 H 0.2193 0.6442 0.9143 0.029 Uiso 1 1 calc R U . . .
C36 C 0.2078(3) 0.51624(19) 0.87697(19) 0.0201(7) Uani 1 1 d . . . . .
C37 C 0.3033(3) 0.5809(2) 0.7864(2) 0.0371(9) Uani 1 1 d . . . . .
H37A H 0.2948 0.6380 0.8140 0.056 Uiso 1 1 calc R U . . .
H37B H 0.3022 0.5782 0.7291 0.056 Uiso 1 1 calc R U . . .
H37C H 0.3747 0.5680 0.8141 0.056 Uiso 1 1 calc R U . . .
C38 C 0.2059(3) 0.5158(2) 0.7895(2) 0.0251(7) Uani 1 1 d . . . . .
H38 H 0.2156 0.4582 0.7606 0.030 Uiso 1 1 calc R U . . .
C39 C 0.0946(3) 0.5340(3) 0.7450(2) 0.0392(10) Uani 1 1 d . . . . .
H39A H 0.0337 0.4895 0.7432 0.059 Uiso 1 1 calc R U . . .
H39B H 0.0966 0.5351 0.6890 0.059 Uiso 1 1 calc R U . . .
H39C H 0.0817 0.5890 0.7742 0.059 Uiso 1 1 calc R U . . .
C40 C 0.0900(2) 0.22951(19) 0.43384(18) 0.0168(6) Uani 1 1 d . . . . .
C41 C 0.0048(2) 0.22000(18) 0.47380(18) 0.0167(6) Uani 1 1 d . . . . .
C42 C 0.0127(3) 0.2935(2) 0.61677(19) 0.0235(7) Uani 1 1 d . . . . .
H42A H 0.0556 0.3422 0.6068 0.035 Uiso 1 1 calc R U . . .
H42B H 0.0396 0.2926 0.6742 0.035 Uiso 1 1 calc R U . . .
H42C H -0.0670 0.2982 0.6051 0.035 Uiso 1 1 calc R U . . .
C43 C 0.0285(2) 0.21149(19) 0.56076(18) 0.0178(6) Uani 1 1 d . . . . .
H43 H 0.1089 0.2051 0.5778 0.021 Uiso 1 1 calc R U . . .
C44 C -0.0433(3) 0.1351(2) 0.5709(2) 0.0273(8) Uani 1 1 d . . . . .
H44A H -0.1225 0.1411 0.5569 0.041 Uiso 1 1 calc R U . . .
H44B H -0.0211 0.1318 0.6279 0.041 Uiso 1 1 calc R U . . .
H44C H -0.0325 0.0833 0.5345 0.041 Uiso 1 1 calc R U . . .
C45 C -0.1052(3) 0.2223(2) 0.43360(19) 0.0214(7) Uani 1 1 d . . . . .
H45 H -0.1633 0.2159 0.4605 0.026 Uiso 1 1 calc R U . . .
C46 C -0.1309(3) 0.2336(2) 0.3554(2) 0.0262(7) Uani 1 1 d . . . . .
H46 H -0.2064 0.2329 0.3278 0.031 Uiso 1 1 calc R U . . .
C47 C -0.0451(3) 0.2461(2) 0.3180(2) 0.0264(7) Uani 1 1 d . . . . .
H47 H -0.0624 0.2556 0.2648 0.032 Uiso 1 1 calc R U . . .
C48 C 0.0654(3) 0.2452(2) 0.35593(18) 0.0202(7) Uani 1 1 d . . . . .
C49 C 0.1547(3) 0.1824(2) 0.2439(2) 0.0352(9) Uani 1 1 d . . . . .
H49A H 0.1721 0.1357 0.2685 0.053 Uiso 1 1 calc R U . . .
H49B H 0.2115 0.1954 0.2151 0.053 Uiso 1 1 calc R U . . .
H49C H 0.0806 0.1658 0.2050 0.053 Uiso 1 1 calc R U . . .
C50 C 0.1548(3) 0.2607(2) 0.31133(19) 0.0229(7) Uani 1 1 d . . . . .
H50 H 0.2294 0.2736 0.3522 0.027 Uiso 1 1 calc R U . . .
C51 C 0.1420(3) 0.3375(2) 0.2755(2) 0.0333(9) Uani 1 1 d . . . . .
H51A H 0.0737 0.3240 0.2306 0.050 Uiso 1 1 calc R U . . .
H51B H 0.2073 0.3512 0.2548 0.050 Uiso 1 1 calc R U . . .
H51C H 0.1368 0.3862 0.3184 0.050 Uiso 1 1 calc R U . . .
C52 C 0.1217(3) 0.06712(19) 0.4020(2) 0.0231(7) Uani 1 1 d . . . . .
H52A H 0.0693 0.0634 0.4364 0.035 Uiso 1 1 calc R U . . .
H52B H 0.1488 0.0131 0.3891 0.035 Uiso 1 1 calc R U . . .
H52C H 0.0834 0.0794 0.3511 0.035 Uiso 1 1 calc R U . . .
C53 C 0.2198(2) 0.13705(18) 0.44742(17) 0.0163(6) Uani 1 1 d . . . . .
C54 C 0.3250(2) 0.11276(18) 0.46250(18) 0.0166(6) Uani 1 1 d . . . . .
H54 H 0.3251 0.0538 0.4557 0.020 Uiso 1 1 calc R U . . .
C55 C 0.4299(2) 0.16443(18) 0.48630(17) 0.0164(6) Uani 1 1 d . . . . .
C56 C 0.5287(3) 0.1184(2) 0.4814(2) 0.0220(7) Uani 1 1 d . . . . .
H56A H 0.5915 0.1570 0.4765 0.033 Uiso 1 1 calc R U . . .
H56B H 0.5068 0.0695 0.4334 0.033 Uiso 1 1 calc R U . . .
H56C H 0.5516 0.0990 0.5311 0.033 Uiso 1 1 calc R U . . .
C57 C 0.5477(2) 0.29378(18) 0.50513(18) 0.0167(6) Uani 1 1 d . . . . .
C58 C 0.6384(2) 0.33081(19) 0.57376(19) 0.0198(7) Uani 1 1 d . . . . .
C59 C 0.6862(3) 0.4106(2) 0.7222(2) 0.0322(8) Uani 1 1 d . . . . .
H59A H 0.7659 0.4254 0.7247 0.048 Uiso 1 1 calc R U . . .
H59B H 0.6780 0.4064 0.7762 0.048 Uiso 1 1 calc R U . . .
H59C H 0.6461 0.4545 0.7058 0.048 Uiso 1 1 calc R U . . .
C60 C 0.6371(3) 0.3251(2) 0.65921(19) 0.0230(7) Uani 1 1 d . . . . .
H60 H 0.5572 0.3095 0.6603 0.028 Uiso 1 1 calc R U . . .
C61 C 0.7010(3) 0.2562(2) 0.6826(2) 0.0298(8) Uani 1 1 d . . . . .
H61A H 0.6626 0.2007 0.6467 0.045 Uiso 1 1 calc R U . . .
H61B H 0.7039 0.2566 0.7397 0.045 Uiso 1 1 calc R U . . .
H61C H 0.7776 0.2671 0.6764 0.045 Uiso 1 1 calc R U . . .
C62 C 0.7354(3) 0.3719(2) 0.5615(2) 0.0243(7) Uani 1 1 d . . . . .
H62 H 0.7972 0.3969 0.6076 0.029 Uiso 1 1 calc R U . . .
C63 C 0.7445(3) 0.3774(2) 0.4856(2) 0.0256(7) Uani 1 1 d . . . . .
H63 H 0.8117 0.4056 0.4789 0.031 Uiso 1 1 calc R U . . .
C64 C 0.6549(3) 0.34130(19) 0.4190(2) 0.0236(7) Uani 1 1 d . . . . .
H64 H 0.6613 0.3449 0.3661 0.028 Uiso 1 1 calc R U . . .
C65 C 0.5550(3) 0.29957(18) 0.42651(19) 0.0179(6) Uani 1 1 d . . . . .
C66 C 0.4858(3) 0.1803(2) 0.2972(2) 0.0309(8) Uani 1 1 d . . . . .
H66A H 0.5538 0.1936 0.2793 0.046 Uiso 1 1 calc R U . . .
H66B H 0.4223 0.1564 0.2490 0.046 Uiso 1 1 calc R U . . .
H66C H 0.4967 0.1389 0.3298 0.046 Uiso 1 1 calc R U . . .
C67 C 0.4615(3) 0.2613(2) 0.34921(19) 0.0227(7) Uani 1 1 d . . . . .
H67 H 0.3912 0.2464 0.3658 0.027 Uiso 1 1 calc R U . . .
C68 C 0.4405(3) 0.3236(2) 0.2961(2) 0.0254(7) Uani 1 1 d . . . . .
H68A H 0.4284 0.3768 0.3293 0.038 Uiso 1 1 calc R U . . .
H68B H 0.3740 0.2992 0.2504 0.038 Uiso 1 1 calc R U . . .
H68C H 0.5058 0.3346 0.2744 0.038 Uiso 1 1 calc R U . . .
C69 C 0.8118(6) 0.1621(4) 1.0767(4) 0.109(2) Uani 1 1 d . . . . .
H69A H 0.8321 0.1067 1.0795 0.163 Uiso 1 1 calc R U . . .
H69B H 0.7735 0.1816 1.1195 0.163 Uiso 1 1 calc R U . . .
H69C H 0.8799 0.2030 1.0850 0.163 Uiso 1 1 calc R U . . .
C70 C 0.7361(5) 0.1545(3) 0.9952(3) 0.0802(18) Uani 1 1 d . . . . .
H70A H 0.7254 0.2122 0.9906 0.096 Uiso 1 1 calc R U . . .
H70B H 0.6619 0.1231 0.9928 0.096 Uiso 1 1 calc R U . . .
C71 C 0.7737(4) 0.1115(3) 0.9223(3) 0.0629(14) Uani 1 1 d . . . . .
H71A H 0.8480 0.1426 0.9249 0.075 Uiso 1 1 calc R U . . .
H71B H 0.7836 0.0536 0.9266 0.075 Uiso 1 1 calc R U . . .
C72 C 0.6985(5) 0.1049(4) 0.8417(3) 0.0814(18) Uani 1 1 d . . . . .
H72A H 0.6905 0.1630 0.8371 0.098 Uiso 1 1 calc R U . . .
H72B H 0.6235 0.0756 0.8401 0.098 Uiso 1 1 calc R U . . .
C73 C 0.7324(4) 0.0597(3) 0.7676(3) 0.0610(13) Uani 1 1 d . . . . .
H73A H 0.7976 0.0944 0.7610 0.091 Uiso 1 1 calc R U . . .
H73B H 0.6700 0.0501 0.7188 0.091 Uiso 1 1 calc R U . . .
H73C H 0.7516 0.0051 0.7746 0.091 Uiso 1 1 calc R U . . .
N1 N 0.2494(2) 0.19269(15) 0.81944(15) 0.0187(5) Uani 1 1 d . . . . .
N2 N 0.1882(2) 0.35887(15) 0.84999(14) 0.0152(5) Uani 1 1 d . . . . .
N3 N 0.2030(2) 0.21735(15) 0.47057(14) 0.0149(5) Uani 1 1 d . . . . .
N4 N 0.44436(19) 0.24829(15) 0.51289(14) 0.0148(5) Uani 1 1 d . . . . .
Ge1 Ge 0.31021(3) 0.29652(2) 0.67899(2) 0.01445(7) Uani 1 1 d . . . . .
Re1 Re 0.33367(2) 0.31297(2) 0.82563(2) 0.01461(3) Uani 1 1 d . . . . .
Re2 Re 0.32272(2) 0.32031(2) 0.54714(2) 0.01379(3) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0034 0.0017 'Calculated using XDISP in WinGX (Farrugia, 1999)'
H H 0.0000 0.0000 'Calculated using XDISP in WinGX (Farrugia, 1999)'
N N 0.0065 0.0035 'Calculated using XDISP in WinGX (Farrugia, 1999)'
Ge Ge 0.1243 1.8905 'Calculated using XDISP in WinGX (Farrugia, 1999)'
Re Re -1.0625 7.5606 'Calculated using XDISP in WinGX (Farrugia, 1999)'
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
C2 C1 C5 108.2(3) . . ?
C2 C1 Re1 70.43(18) . . ?
C5 C1 Re1 70.52(18) . . ?
C2 C1 H1 125.9 . . ?
C5 C1 H1 125.9 . . ?
Re1 C1 H1 124.8 . . ?
C3 C2 C1 107.4(3) . . ?
C3 C2 Re1 69.09(18) . . ?
C1 C2 Re1 73.20(18) . . ?
C3 C2 H2 126.3 . . ?
C1 C2 H2 126.3 . . ?
Re1 C2 H2 123.1 . . ?
C2 C3 C4 108.6(3) . . ?
C2 C3 Re1 73.73(18) . . ?
C4 C3 Re1 71.26(18) . . ?
C2 C3 H3 125.7 . . ?
C4 C3 H3 125.7 . . ?
Re1 C3 H3 121.0 . . ?
C5 C4 C3 107.8(3) . . ?
C5 C4 Re1 74.02(19) . . ?
C3 C4 Re1 70.66(17) . . ?
C5 C4 H4 126.1 . . ?
C3 C4 H4 126.1 . . ?
Re1 C4 H4 121.0 . . ?
C4 C5 C1 108.0(3) . . ?
C4 C5 Re1 69.31(18) . . ?
C1 C5 Re1 72.64(17) . . ?
C4 C5 H5 126.0 . . ?
C1 C5 H5 126.0 . . ?
Re1 C5 H5 123.7 . . ?
C10 C6 C7 109.1(3) . . ?
C10 C6 Re2 71.07(17) . . ?
C7 C6 Re2 70.72(17) . . ?
C10 C6 H6 125.5 . . ?
C7 C6 H6 125.5 . . ?
Re2 C6 H6 124.3 . . ?
C8 C7 C6 107.7(3) . . ?
C8 C7 Re2 69.10(17) . . ?
C6 C7 Re2 72.52(17) . . ?
C8 C7 H7 126.1 . . ?
C6 C7 H7 126.1 . . ?
Re2 C7 H7 123.8 . . ?
C7 C8 C9 107.1(3) . . ?
C7 C8 Re2 73.94(17) . . ?
C9 C8 Re2 70.76(17) . . ?
C7 C8 H8 126.5 . . ?
C9 C8 H8 126.5 . . ?
Re2 C8 H8 120.7 . . ?
C10 C9 C8 108.6(3) . . ?
C10 C9 Re2 73.85(17) . . ?
C8 C9 Re2 71.08(17) . . ?
C10 C9 H9 125.7 . . ?
C8 C9 H9 125.7 . . ?
Re2 C9 H9 121.1 . . ?
C6 C10 C9 107.5(3) . . ?
C6 C10 Re2 73.15(17) . . ?
C9 C10 Re2 68.94(17) . . ?
C6 C10 H10 126.2 . . ?
C9 C10 H10 126.2 . . ?
Re2 C10 H10 123.3 . . ?
C12 C11 C19 120.3(3) . . ?
C12 C11 N1 119.7(3) . . ?
C19 C11 N1 119.8(3) . . ?
C16 C12 C11 118.9(3) . . ?
C16 C12 C14 118.3(3) . . ?
C11 C12 C14 122.7(3) . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 C15 111.0(3) . . ?
C12 C14 C13 112.0(3) . . ?
C15 C14 C13 110.8(3) . . ?
C12 C14 H14 107.6 . . ?
C15 C14 H14 107.6 . . ?
C13 C14 H14 107.6 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C12 121.1(4) . . ?
C17 C16 H16 119.5 . . ?
C12 C16 H16 119.5 . . ?
C18 C17 C16 119.3(3) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C17 C18 C19 121.6(3) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 H18 119.2 . . ?
C18 C19 C11 118.6(3) . . ?
C18 C19 C21 118.6(3) . . ?
C11 C19 C21 122.8(3) . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 C22 114.1(3) . . ?
C19 C21 C20 107.8(3) . . ?
C22 C21 C20 110.3(3) . . ?
C19 C21 H21 108.2 . . ?
C22 C21 H21 108.2 . . ?
C20 C21 H21 108.2 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C24 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C24 C25 123.3(3) . . ?
N1 C24 C23 120.4(3) . . ?
C25 C24 C23 116.3(3) . . ?
C26 C25 C24 128.6(3) . . ?
C26 C25 H25 115.7 . . ?
C24 C25 H25 115.7 . . ?
N2 C26 C25 123.3(3) . . ?
N2 C26 C27 120.5(3) . . ?
C25 C26 C27 116.3(3) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C36 C28 C29 120.3(3) . . ?
C36 C28 N2 121.5(3) . . ?
C29 C28 N2 118.2(3) . . ?
C33 C29 C28 118.8(3) . . ?
C33 C29 C31 117.8(3) . . ?
C28 C29 C31 123.3(3) . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 C32 112.2(3) . . ?
C29 C31 C30 110.8(3) . . ?
C32 C31 C30 108.6(3) . . ?
C29 C31 H31 108.4 . . ?
C32 C31 H31 108.4 . . ?
C30 C31 H31 108.4 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C29 121.4(3) . . ?
C34 C33 H33 119.3 . . ?
C29 C33 H33 119.3 . . ?
C35 C34 C33 119.2(3) . . ?
C35 C34 H34 120.4 . . ?
C33 C34 H34 120.4 . . ?
C34 C35 C36 122.1(3) . . ?
C34 C35 H35 119.0 . . ?
C36 C35 H35 119.0 . . ?
C35 C36 C28 118.2(3) . . ?
C35 C36 C38 118.2(3) . . ?
C28 C36 C38 123.6(3) . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 C39 111.2(3) . . ?
C36 C38 C37 110.7(3) . . ?
C39 C38 C37 110.0(3) . . ?
C36 C38 H38 108.3 . . ?
C39 C38 H38 108.3 . . ?
C37 C38 H38 108.3 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C48 120.1(3) . . ?
C41 C40 N3 120.0(3) . . ?
C48 C40 N3 119.8(3) . . ?
C45 C41 C40 119.1(3) . . ?
C45 C41 C43 118.6(3) . . ?
C40 C41 C43 122.2(3) . . ?
C43 C42 H42A 109.5 . . ?
C43 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C43 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 C44 113.7(2) . . ?
C41 C43 C42 108.7(2) . . ?
C44 C43 C42 110.6(3) . . ?
C41 C43 H43 107.9 . . ?
C44 C43 H43 107.9 . . ?
C42 C43 H43 107.9 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C41 121.2(3) . . ?
C46 C45 H45 119.4 . . ?
C41 C45 H45 119.4 . . ?
C45 C46 C47 119.0(3) . . ?
C45 C46 H46 120.5 . . ?
C47 C46 H46 120.5 . . ?
C46 C47 C48 121.8(3) . . ?
C46 C47 H47 119.1 . . ?
C48 C47 H47 119.1 . . ?
C47 C48 C40 118.8(3) . . ?
C47 C48 C50 118.6(3) . . ?
C40 C48 C50 122.7(3) . . ?
C50 C49 H49A 109.5 . . ?
C50 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C50 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C48 C50 C49 111.8(3) . . ?
C48 C50 C51 111.5(3) . . ?
C49 C50 C51 110.3(3) . . ?
C48 C50 H50 107.7 . . ?
C49 C50 H50 107.7 . . ?
C51 C50 H50 107.7 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C53 C52 H52A 109.5 . . ?
C53 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C53 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N3 C53 C54 123.8(3) . . ?
N3 C53 C52 120.0(3) . . ?
C54 C53 C52 116.1(3) . . ?
C53 C54 C55 127.9(3) . . ?
C53 C54 H54 116.0 . . ?
C55 C54 H54 116.0 . . ?
N4 C55 C54 123.0(3) . . ?
N4 C55 C56 121.5(3) . . ?
C54 C55 C56 115.5(3) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C65 120.3(3) . . ?
C58 C57 N4 121.4(3) . . ?
C65 C57 N4 118.3(3) . . ?
C62 C58 C57 118.3(3) . . ?
C62 C58 C60 118.7(3) . . ?
C57 C58 C60 123.0(3) . . ?
C60 C59 H59A 109.5 . . ?
C60 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C60 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 C59 111.3(3) . . ?
C58 C60 C61 111.0(3) . . ?
C59 C60 C61 110.2(3) . . ?
C58 C60 H60 108.1 . . ?
C59 C60 H60 108.1 . . ?
C61 C60 H60 108.1 . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C63 C62 C58 122.2(3) . . ?
C63 C62 H62 118.9 . . ?
C58 C62 H62 118.9 . . ?
C62 C63 C64 118.9(3) . . ?
C62 C63 H63 120.5 . . ?
C64 C63 H63 120.5 . . ?
C63 C64 C65 122.1(3) . . ?
C63 C64 H64 119.0 . . ?
C65 C64 H64 119.0 . . ?
C64 C65 C57 118.2(3) . . ?
C64 C65 C67 118.0(3) . . ?
C57 C65 C67 123.8(3) . . ?
C67 C66 H66A 109.5 . . ?
C67 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C67 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 C68 112.0(3) . . ?
C65 C67 C66 112.0(3) . . ?
C68 C67 C66 108.5(3) . . ?
C65 C67 H67 108.1 . . ?
C68 C67 H67 108.1 . . ?
C66 C67 H67 108.1 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 H69A 109.5 . . ?
C70 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C70 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C69 C70 C71 116.3(6) . . ?
C69 C70 H70A 108.2 . . ?
C71 C70 H70A 108.2 . . ?
C69 C70 H70B 108.2 . . ?
C71 C70 H70B 108.2 . . ?
H70A C70 H70B 107.4 . . ?
C72 C71 C70 116.0(5) . . ?
C72 C71 H71A 108.3 . . ?
C70 C71 H71A 108.3 . . ?
C72 C71 H71B 108.3 . . ?
C70 C71 H71B 108.3 . . ?
H71A C71 H71B 107.4 . . ?
C71 C72 C73 117.1(5) . . ?
C71 C72 H72A 108.0 . . ?
C73 C72 H72A 108.0 . . ?
C71 C72 H72B 108.0 . . ?
C73 C72 H72B 108.0 . . ?
H72A C72 H72B 107.3 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C24 N1 C11 113.5(3) . . ?
C24 N1 Re1 126.0(2) . . ?
C11 N1 Re1 120.4(2) . . ?
C26 N2 C28 114.3(2) . . ?
C26 N2 Re1 125.8(2) . . ?
C28 N2 Re1 119.16(18) . . ?
C53 N3 C40 113.4(2) . . ?
C53 N3 Re2 126.06(19) . . ?
C40 N3 Re2 120.47(18) . . ?
C55 N4 C57 115.1(2) . . ?
C55 N4 Re2 126.22(19) . . ?
C57 N4 Re2 117.92(17) . . ?
Re2 Ge1 Re1 163.182(15) . . ?
N1 Re1 N2 86.16(9) . . ?
N1 Re1 C3 111.66(12) . . ?
N2 Re1 C3 101.93(11) . . ?
N1 Re1 C4 96.18(12) . . ?
N2 Re1 C4 137.45(11) . . ?
C3 Re1 C4 38.08(12) . . ?
N1 Re1 C2 148.24(11) . . ?
N2 Re1 C2 94.34(10) . . ?
C3 Re1 C2 37.18(13) . . ?
C4 Re1 C2 62.63(12) . . ?
N1 Re1 C5 116.04(11) . . ?
N2 Re1 C5 155.69(11) . . ?
C3 Re1 C5 61.94(12) . . ?
C4 Re1 C5 36.67(12) . . ?
C2 Re1 C5 61.66(11) . . ?
N1 Re1 C1 152.87(11) . . ?
N2 Re1 C1 120.54(10) . . ?
C3 Re1 C1 61.31(12) . . ?
C4 Re1 C1 61.59(13) . . ?
C2 Re1 C1 36.37(11) . . ?
C5 Re1 C1 36.84(12) . . ?
N1 Re1 Ge1 98.10(7) . . ?
N2 Re1 Ge1 104.67(6) . . ?
C3 Re1 Ge1 141.05(9) . . ?
C4 Re1 Ge1 116.91(9) . . ?
C2 Re1 Ge1 112.36(9) . . ?
C5 Re1 Ge1 82.93(8) . . ?
C1 Re1 Ge1 80.67(8) . . ?
N3 Re2 N4 86.07(9) . . ?
N3 Re2 C9 110.61(11) . . ?
N4 Re2 C9 102.31(11) . . ?
N3 Re2 C8 95.47(11) . . ?
N4 Re2 C8 137.91(11) . . ?
C9 Re2 C8 38.16(12) . . ?
N3 Re2 C10 147.16(11) . . ?
N4 Re2 C10 94.51(10) . . ?
C9 Re2 C10 37.21(12) . . ?
C8 Re2 C10 62.75(12) . . ?
N3 Re2 C7 116.46(11) . . ?
N4 Re2 C7 155.40(10) . . ?
C9 Re2 C7 61.92(11) . . ?
C8 Re2 C7 36.96(11) . . ?
C10 Re2 C7 61.32(11) . . ?
N3 Re2 C6 153.20(10) . . ?
N4 Re2 C6 120.04(10) . . ?
C9 Re2 C6 60.94(12) . . ?
C8 Re2 C6 61.70(12) . . ?
C10 Re2 C6 35.78(11) . . ?
C7 Re2 C6 36.76(11) . . ?
N3 Re2 Ge1 98.66(6) . . ?
N4 Re2 Ge1 104.62(7) . . ?
C9 Re2 Ge1 141.21(8) . . ?
C8 Re2 Ge1 116.60(8) . . ?
C10 Re2 Ge1 112.81(8) . . ?
C7 Re2 Ge1 82.70(8) . . ?
C6 Re2 Ge1 81.42(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.415(4) . ?
C1 C5 1.435(5) . ?
C1 Re1 2.284(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.415(5) . ?
C2 Re1 2.248(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.430(5) . ?
C3 Re1 2.187(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.401(5) . ?
C4 Re1 2.195(3) . ?
C4 H4 0.9500 . ?
C5 Re1 2.256(3) . ?
C5 H5 0.9500 . ?
C6 C10 1.392(4) . ?
C6 C7 1.429(4) . ?
C6 Re2 2.278(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.410(4) . ?
C7 Re2 2.254(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.431(4) . ?
C8 Re2 2.192(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.418(5) . ?
C9 Re2 2.187(3) . ?
C9 H9 0.9500 . ?
C10 Re2 2.252(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.400(5) . ?
C11 C19 1.404(4) . ?
C11 N1 1.452(4) . ?
C12 C16 1.389(5) . ?
C12 C14 1.518(5) . ?
C13 C14 1.540(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.526(6) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.385(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.375(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.388(5) . ?
C18 H18 0.9500 . ?
C19 C21 1.510(4) . ?
C20 C21 1.530(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.523(4) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.510(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 N1 1.348(4) . ?
C24 C25 1.392(4) . ?
C25 C26 1.384(4) . ?
C25 H25 0.9500 . ?
C26 N2 1.337(4) . ?
C26 C27 1.514(4) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C36 1.401(4) . ?
C28 C29 1.408(4) . ?
C28 N2 1.460(4) . ?
C29 C33 1.391(4) . ?
C29 C31 1.521(4) . ?
C30 C31 1.535(4) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.534(5) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.377(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.370(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.398(4) . ?
C35 H35 0.9500 . ?
C36 C38 1.507(4) . ?
C37 C38 1.541(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.522(5) . ?
C38 H38 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.399(4) . ?
C40 C48 1.404(4) . ?
C40 N3 1.460(4) . ?
C41 C45 1.396(4) . ?
C41 C43 1.511(4) . ?
C42 C43 1.533(4) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.523(4) . ?
C43 H43 1.0000 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.380(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.383(5) . ?
C46 H46 0.9500 . ?
C47 C48 1.387(4) . ?
C47 H47 0.9500 . ?
C48 C50 1.516(4) . ?
C49 C50 1.531(5) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.535(4) . ?
C50 H50 1.0000 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C53 1.508(4) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 N3 1.344(4) . ?
C53 C54 1.394(4) . ?
C54 C55 1.394(4) . ?
C54 H54 0.9500 . ?
C55 N4 1.329(4) . ?
C55 C56 1.519(4) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.405(4) . ?
C57 C65 1.408(4) . ?
C57 N4 1.459(4) . ?
C58 C62 1.394(4) . ?
C58 C60 1.507(4) . ?
C59 C60 1.535(4) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C61 1.532(5) . ?
C60 H60 1.0000 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 C63 1.366(5) . ?
C62 H62 0.9500 . ?
C63 C64 1.376(5) . ?
C63 H63 0.9500 . ?
C64 C65 1.394(4) . ?
C64 H64 0.9500 . ?
C65 C67 1.517(4) . ?
C66 C67 1.532(4) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.530(4) . ?
C67 H67 1.0000 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.482(7) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C71 1.498(7) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.470(7) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 C73 1.502(7) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
N1 Re1 2.098(2) . ?
N2 Re1 2.122(2) . ?
N3 Re2 2.092(2) . ?
N4 Re2 2.124(2) . ?
Ge1 Re2 2.4367(3) . ?
Ge1 Re1 2.4395(3) . ?
