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#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/02/8100273.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_8100273
loop_
_publ_author_name
'Meiners, Frank'
'Saak, Wolfgang'
'Haase, Detlev'
'Weidenbruch, Manfred'
_publ_section_title
;
Crystal structure of 2-ethenyl-4,4,7,7-tetrakis(2-tert-butyl-4,5,6-
trimethyl- phenyl)-5,8-diphenyl-3-aza-4,7-digermabicyclo[4.2.0]octa-
2,5,8-triene---hexane (1:2), C₇₁H₉₁Ge₂N · 2C₆H₁₄
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              101
_journal_page_last               104
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     '(C71 H91 Ge2 N) &#x00B7; 2(C6 H14)'
_chemical_formula_sum            'C83 H119 Ge2 N'
_chemical_formula_weight         1275.97
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.750(4)
_cell_angle_beta                 99.592(5)
_cell_angle_gamma                99.148(4)
_cell_formula_units_Z            2
_cell_length_a                   13.3143(6)
_cell_length_b                   14.9335(4)
_cell_length_c                   20.7978(8)
_cell_measurement_temperature    193(2)
_cell_volume                     3874.5(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.094
_cod_original_formula_sum        'C83 H119 Ge2 N1'
_cod_database_code               8100273
#BEGIN Tags that were not found in dictionaries:
_publ_creation_date              2002-11-19
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 1.16976(2) 1.04805(2) 0.290771(16) 0.02988(11) Uani 1 2 i d . . .
Ge2 Ge 0.96089(2) 0.72950(2) 0.226657(15) 0.02504(10) Uani 1 2 i d . . .
N1 N 1.1940(2) 1.0114(2) 0.37093(13) 0.0361(6) Uani 1 2 i d . . .
C1 C 1.1431(3) 0.9364(2) 0.37872(16) 0.0344(7) Uani 1 2 i d . . .
C2 C 1.1697(3) 0.9136(3) 0.44466(17) 0.0438(9) Uani 1 2 i d . . .
H2A H 1.1030 0.8939 0.4576 0.053 Uiso 1 2 i calc R . .
H2B H 1.2013 0.8574 0.4358 0.053 Uiso 1 2 i calc R . .
C3 C 1.2312(4) 0.9752(4) 0.4987(2) 0.0645(12) Uani 1 2 i d . . .
H3A H 1.2388 0.9467 0.5366 0.097 Uiso 1 2 i calc R . .
H3B H 1.2007 1.0309 0.5107 0.097 Uiso 1 2 i calc R . .
H3C H 1.2997 0.9940 0.4889 0.097 Uiso 1 2 i calc R . .
C4 C 1.0892(2) 0.9280(2) 0.22381(15) 0.0300(7) Uani 1 2 i d . . .
C5 C 1.0569(2) 0.8586(2) 0.25089(15) 0.0294(7) Uani 1 2 i d . . .
C6 C 1.0631(2) 0.8643(2) 0.32380(15) 0.0294(7) Uani 1 2 i d . . .
C7 C 0.9900(2) 0.7907(2) 0.32680(15) 0.0301(7) Uani 1 2 i d . . .
C8 C 1.0771(3) 0.9147(2) 0.14903(17) 0.0374(8) Uani 1 2 i d . . .
C9 C 1.1635(4) 0.9183(3) 0.12012(19) 0.0496(10) Uani 1 2 i d . . .
H9 H 1.2307 0.9259 0.1474 0.059 Uiso 1 2 i calc R . .
C10 C 1.1521(5) 0.9109(3) 0.0508(2) 0.0652(13) Uani 1 2 i d . . .
H10 H 1.2119 0.9132 0.0314 0.078 Uiso 1 2 i calc R . .
C11 C 1.0569(5) 0.9004(3) 0.0107(2) 0.0741(16) Uani 1 2 i d . . .
H11 H 1.0505 0.8974 -0.0360 0.089 Uiso 1 2 i calc R . .
C12 C 0.9713(5) 0.8944(3) 0.0379(2) 0.0655(13) Uani 1 2 i d . . .
H12 H 0.9047 0.8856 0.0096 0.079 Uiso 1 2 i calc R . .
C13 C 0.9790(4) 0.9009(3) 0.10682(19) 0.0515(10) Uani 1 2 i d . . .
H13 H 0.9181 0.8960 0.1250 0.062 Uiso 1 2 i calc R . .
C14 C 0.9587(3) 0.7659(2) 0.38612(15) 0.0342(7) Uani 1 2 i d . . .
C15 C 0.9203(3) 0.8300(3) 0.43282(17) 0.0432(9) Uani 1 2 i d . . .
H15 H 0.9135 0.8896 0.4260 0.052 Uiso 1 2 i calc R . .
C16 C 0.8926(4) 0.8052(3) 0.4889(2) 0.0581(12) Uani 1 2 i d . . .
H16 H 0.8662 0.8481 0.5200 0.070 Uiso 1 2 i calc R . .
C17 C 0.9028(4) 0.7202(4) 0.4997(2) 0.0642(13) Uani 1 2 i d . . .
H17 H 0.8841 0.7044 0.5384 0.077 Uiso 1 2 i calc R . .
C18 C 0.9405(4) 0.6568(3) 0.4543(2) 0.0591(11) Uani 1 2 i d . . .
H18 H 0.9481 0.5978 0.4620 0.071 Uiso 1 2 i calc R . .
C19 C 0.9670(3) 0.6798(3) 0.39762(18) 0.0429(9) Uani 1 2 i d . . .
H19 H 0.9913 0.6355 0.3662 0.051 Uiso 1 2 i calc R . .
C20 C 1.1209(3) 1.1705(2) 0.32171(16) 0.0339(7) Uani 1 2 i d . . .
C21 C 1.2052(3) 1.2492(3) 0.35128(16) 0.0383(8) Uani 1 2 i d . . .
C22 C 1.1927(3) 1.3425(3) 0.35747(17) 0.0432(9) Uani 1 2 i d . . .
C23 C 1.0935(3) 1.3591(3) 0.34030(17) 0.0443(9) Uani 1 2 i d . . .
C24 C 1.0091(3) 1.2840(3) 0.31979(18) 0.0438(9) Uani 1 2 i d . . .
H24 H 0.9412 1.2968 0.3114 0.053 Uiso 1 2 i calc R . .
C25 C 1.0186(3) 1.1896(3) 0.31066(18) 0.0410(8) Uani 1 2 i d . . .
C26 C 1.3119(3) 1.2370(3) 0.3837(2) 0.0527(10) Uani 1 2 i d . . .
H26A H 1.3118 1.1697 0.3764 0.079 Uiso 1 2 i calc R . .
H26B H 1.3273 1.2679 0.4324 0.079 Uiso 1 2 i calc R . .
H26C H 1.3651 1.2655 0.3630 0.079 Uiso 1 2 i calc R . .
C27 C 1.2854(4) 1.4239(3) 0.3836(3) 0.0706(14) Uani 1 2 i d . . .
H27A H 1.3489 1.3997 0.3931 0.106 Uiso 1 2 i calc R . .
H27B H 1.2766 1.4661 0.4253 0.106 Uiso 1 2 i calc R . .
H27C H 1.2907 1.4585 0.3494 0.106 Uiso 1 2 i calc R . .
C28 C 1.0720(4) 1.4577(3) 0.3482(2) 0.0619(12) Uani 1 2 i d . . .
H28A H 1.1380 1.5039 0.3627 0.093 Uiso 1 2 i calc R . .
H28B H 1.0297 1.4707 0.3823 0.093 Uiso 1 2 i calc R . .
H28C H 1.0343 1.4621 0.3047 0.093 Uiso 1 2 i calc R . .
C29 C 0.9170(3) 1.1143(3) 0.2926(2) 0.0508(10) Uani 1 2 i d . . .
C30 C 0.8202(4) 1.1578(4) 0.2996(4) 0.0860(19) Uani 1 2 i d . . .
H30A H 0.8117 1.1971 0.2683 0.129 Uiso 1 2 i calc R . .
H30B H 0.8292 1.1965 0.3462 0.129 Uiso 1 2 i calc R . .
H30C H 0.7582 1.1072 0.2889 0.129 Uiso 1 2 i calc R . .
C31 C 0.9267(3) 1.0535(3) 0.3424(2) 0.0557(11) Uani 1 2 i d . . .
H31A H 0.9383 1.0936 0.3888 0.084 Uiso 1 2 i calc R . .
H31B H 0.9855 1.0223 0.3376 0.084 Uiso 1 2 i calc R . .
H31C H 0.8624 1.0058 0.3327 0.084 Uiso 1 2 i calc R . .
C32 C 0.8986(3) 1.0549(3) 0.2199(2) 0.0606(12) Uani 1 2 i d . . .
H32A H 0.8926 1.0954 0.1892 0.091 Uiso 1 2 i calc R . .
H32B H 0.8342 1.0072 0.2094 0.091 Uiso 1 2 i calc R . .
H32C H 0.9572 1.0237 0.2141 0.091 Uiso 1 2 i calc R . .
C33 C 1.2973(2) 1.0889(2) 0.25641(16) 0.0336(7) Uani 1 2 i d . . .
C34 C 1.2782(3) 1.1472(3) 0.21319(19) 0.0472(9) Uani 1 2 i d . . .
C35 C 1.3568(4) 1.2031(4) 0.1943(3) 0.0710(14) Uani 1 2 i d . . .
C36 C 1.4575(4) 1.1968(5) 0.2179(3) 0.0792(16) Uani 1 2 i d . . .
C37 C 1.4793(3) 1.1357(4) 0.2560(3) 0.0622(12) Uani 1 2 i d . . .
H37 H 1.5498 1.1315 0.2694 0.075 Uiso 1 2 i calc R . .
C38 C 1.4014(3) 1.0790(3) 0.2759(2) 0.0465(9) Uani 1 2 i d . . .
C39 C 1.1648(3) 1.1512(3) 0.1804(2) 0.0488(9) Uani 1 2 i d . . .
H39A H 1.1147 1.1100 0.1959 0.073 Uiso 1 2 i calc R . .
H39B H 1.1540 1.1299 0.1310 0.073 Uiso 1 2 i calc R . .
H39C H 1.1546 1.2160 0.1939 0.073 Uiso 1 2 i calc R . .
C40 C 1.3305(5) 1.2683(6) 0.1506(4) 0.119(3) Uani 1 2 i d . . .
H40A H 1.2548 1.2627 0.1397 0.178 Uiso 1 2 i calc R . .
H40B H 1.3557 1.2508 0.1087 0.178 Uiso 1 2 i calc R . .
H40C H 1.3639 1.3336 0.1755 0.178 Uiso 1 2 i calc R . .
C41 C 1.5506(5) 1.2563(7) 0.1999(5) 0.149(4) Uani 1 2 i d . . .
H41A H 1.5243 1.2970 0.1732 0.224 Uiso 1 2 i calc R . .
H41B H 1.5872 1.2141 0.1735 0.224 Uiso 1 2 i calc R . .
H41C H 1.5986 1.2954 0.2417 0.224 Uiso 1 2 i calc R . .
C42 C 1.4384(3) 1.0118(3) 0.3159(2) 0.0494(10) Uani 1 2 i d . . .
C43 C 1.3672(3) 0.9147(3) 0.2878(3) 0.0582(11) Uani 1 2 i d . . .
H43A H 1.3909 0.8722 0.3136 0.087 Uiso 1 2 i calc R . .
H43B H 1.3691 0.8898 0.2401 0.087 Uiso 1 2 i calc R . .
H43C H 1.2958 0.9196 0.2917 0.087 Uiso 1 2 i calc R . .
C44 C 1.4420(3) 1.0485(4) 0.3927(2) 0.0635(12) Uani 1 2 i d . . .
H44A H 1.4657 1.0035 0.4161 0.095 Uiso 1 2 i calc R . .
H44B H 1.3722 1.0554 0.3995 0.095 Uiso 1 2 i calc R . .
H44C H 1.4902 1.1097 0.4110 0.095 Uiso 1 2 i calc R . .
C45 C 1.5501(3) 0.9997(4) 0.3111(3) 0.0664(13) Uani 1 2 i d . . .
H45A H 1.5706 0.9566 0.3373 0.100 Uiso 1 2 i calc R . .
H45B H 1.5982 1.0611 0.3293 0.100 Uiso 1 2 i calc R . .
H45C H 1.5526 0.9738 0.2636 0.100 Uiso 1 2 i calc R . .
C46 C 0.8183(2) 0.7059(2) 0.16766(16) 0.0317(7) Uani 1 2 i d . . .
C47 C 0.7427(3) 0.7419(3) 0.20120(17) 0.0379(8) Uani 1 2 i d . . .
C48 C 0.6362(3) 0.6992(3) 0.17978(19) 0.0478(10) Uani 1 2 i d . . .
C49 C 0.6043(3) 0.6207(4) 0.1240(2) 0.0568(11) Uani 1 2 i d . . .
C50 C 0.6778(3) 0.5952(3) 0.08632(19) 0.0521(11) Uani 1 2 i d . . .
H50 H 0.6544 0.5460 0.0454 0.062 Uiso 1 2 i calc R . .
C51 C 0.7831(3) 0.6371(3) 0.10488(16) 0.0382(8) Uani 1 2 i d . . .
C52 C 0.7741(3) 0.8267(3) 0.2626(2) 0.0462(9) Uani 1 2 i d . . .
H52A H 0.8497 0.8497 0.2723 0.069 Uiso 1 2 i calc R . .
H52B H 0.7540 0.8088 0.3017 0.069 Uiso 1 2 i calc R . .
H52C H 0.7390 0.8767 0.2534 0.069 Uiso 1 2 i calc R . .
C53 C 0.5576(3) 0.7373(4) 0.2189(3) 0.0722(15) Uani 1 2 i d . . .
H53A H 0.5936 0.7925 0.2563 0.108 Uiso 1 2 i calc R . .
H53B H 0.5238 0.6884 0.2370 0.108 Uiso 1 2 i calc R . .
H53C H 0.5049 0.7553 0.1884 0.108 Uiso 1 2 i calc R . .
C54 C 0.4928(3) 0.5645(5) 0.1024(3) 0.089(2) Uani 1 2 i d . . .
H54A H 0.4865 0.5122 0.0622 0.134 Uiso 1 2 i calc R . .
H54B H 0.4457 0.6056 0.0917 0.134 Uiso 1 2 i calc R . .
H54C H 0.4743 0.5395 0.1393 0.134 Uiso 1 2 i calc R . .
C55 C 0.8458(3) 0.6093(3) 0.04890(16) 0.0395(8) Uani 1 2 i d . . .
C56 C 0.7980(3) 0.6429(4) -0.01174(19) 0.0566(11) Uani 1 2 i d . . .
H56A H 0.8043 0.7114 0.0024 0.085 Uiso 1 2 i calc R . .
H56B H 0.7243 0.6121 -0.0277 0.085 Uiso 1 2 i calc R . .
H56C H 0.8350 0.6266 -0.0485 0.085 Uiso 1 2 i calc R . .
C57 C 0.8363(3) 0.5025(3) 0.0261(2) 0.0533(10) Uani 1 2 i d . . .
H57A H 0.7625 0.4713 0.0126 0.080 Uiso 1 2 i calc R . .
H57B H 0.8706 0.4813 0.0635 0.080 Uiso 1 2 i calc R . .
H57C H 0.8696 0.4866 -0.0126 0.080 Uiso 1 2 i calc R . .
C58 C 0.9618(3) 0.6557(3) 0.06927(17) 0.0413(8) Uani 1 2 i d . . .
H58A H 0.9697 0.7244 0.0839 0.062 Uiso 1 2 i calc R . .
H58B H 0.9943 0.6387 0.0304 0.062 Uiso 1 2 i calc R . .
H58C H 0.9955 0.6339 0.1065 0.062 Uiso 1 2 i calc R . .
C59 C 0.9925(2) 0.6001(2) 0.21461(14) 0.0261(6) Uani 1 2 i d . . .
C60 C 0.9044(2) 0.5327(2) 0.21460(15) 0.0299(7) Uani 1 2 i d . . .
C61 C 0.8975(3) 0.4357(2) 0.18815(17) 0.0359(7) Uani 1 2 i d . . .
C62 C 0.9804(3) 0.4045(2) 0.16351(17) 0.0369(8) Uani 1 2 i d . . .
C63 C 1.0719(3) 0.4706(2) 0.17276(16) 0.0345(7) Uani 1 2 i d . . .
H63 H 1.1307 0.4482 0.1602 0.041 Uiso 1 2 i calc R . .
C64 C 1.0826(2) 0.5665(2) 0.19893(15) 0.0303(7) Uani 1 2 i d . . .
C65 C 0.8140(3) 0.5605(3) 0.24573(18) 0.0370(8) Uani 1 2 i d . . .
H65A H 0.8265 0.6292 0.2626 0.055 Uiso 1 2 i calc R . .
H65B H 0.8084 0.5323 0.2834 0.055 Uiso 1 2 i calc R . .
H65C H 0.7491 0.5377 0.2113 0.055 Uiso 1 2 i calc R . .
C66 C 0.7989(3) 0.3662(3) 0.1858(2) 0.0562(11) Uani 1 2 i d . . .
H66A H 0.7494 0.4008 0.2052 0.084 Uiso 1 2 i calc R . .
H66B H 0.8164 0.3222 0.2120 0.084 Uiso 1 2 i calc R . .
H66C H 0.7674 0.3311 0.1387 0.084 Uiso 1 2 i calc R . .
C67 C 0.9759(3) 0.3023(3) 0.1295(2) 0.0538(10) Uani 1 2 i d . . .
H67A H 1.0420 0.2957 0.1160 0.081 Uiso 1 2 i calc R . .
H67B H 0.9189 0.2804 0.0894 0.081 Uiso 1 2 i calc R . .
H67C H 0.9639 0.2646 0.1612 0.081 Uiso 1 2 i calc R . .
C68 C 1.1925(2) 0.6306(2) 0.21515(17) 0.0347(7) Uani 1 2 i d . . .
C69 C 1.2027(3) 0.6965(3) 0.16884(18) 0.0430(9) Uani 1 2 i d . . .
H69A H 1.1869 0.6589 0.1215 0.065 Uiso 1 2 i calc R . .
H69B H 1.2740 0.7338 0.1804 0.065 Uiso 1 2 i calc R . .
H69C H 1.1538 0.7388 0.1751 0.065 Uiso 1 2 i calc R . .
C70 C 1.2773(3) 0.5720(3) 0.2079(2) 0.0561(11) Uani 1 2 i d . . .
H70A H 1.2730 0.5289 0.2367 0.084 Uiso 1 2 i calc R . .
H70B H 1.3460 0.6143 0.2218 0.084 Uiso 1 2 i calc R . .
H70C H 1.2668 0.5356 0.1605 0.084 Uiso 1 2 i calc R . .
C71 C 1.2169(3) 0.6887(3) 0.28965(18) 0.0427(8) Uani 1 2 i d . . .
H71A H 1.2101 0.6461 0.3187 0.064 Uiso 1 2 i calc R . .
H71B H 1.1679 0.7309 0.2961 0.064 Uiso 1 2 i calc R . .
H71C H 1.2882 0.7260 0.3016 0.064 Uiso 1 2 i calc R . .
C72A C 0.2386(14) 0.7040(13) 0.5164(11) 0.188(4) Uiso 0.50 2 i d PD A 1
H72A H 0.1703 0.7178 0.5015 0.282 Uiso 0.50 2 i calc PR A 1
H72B H 0.2671 0.6798 0.4768 0.282 Uiso 0.50 2 i calc PR A 1
H72C H 0.2859 0.7619 0.5455 0.282 Uiso 0.50 2 i calc PR A 1
C73A C 0.2269(9) 0.6297(15) 0.5564(12) 0.188(4) Uiso 0.50 2 i d PD A 1
H73A H 0.1983 0.6540 0.5965 0.226 Uiso 0.50 2 i calc PR A 1
H73B H 0.1780 0.5716 0.5275 0.226 Uiso 0.50 4 e-1 calc PR A 1
C74A C 0.3341(9) 0.6074(13) 0.5790(11) 0.188(4) Uiso 0.50 2 i d PD A 1
H74A H 0.3588 0.5760 0.5388 0.226 Uiso 0.50 2 i calc PR A 1
H74B H 0.3852 0.6666 0.6031 0.226 Uiso 0.50 2 i calc PR A 1
C75A C 0.3250(11) 0.5424(16) 0.6261(10) 0.188(4) Uiso 0.50 2 i d PD A 1
H75A H 0.3261 0.5802 0.6724 0.226 Uiso 0.50 2 i calc PR A 1
H75B H 0.2583 0.4958 0.6095 0.226 Uiso 0.50 2 i calc PR A 1
C76A C 0.4165(16) 0.4911(14) 0.6277(8) 0.188(4) Uiso 0.50 2 i d PD A 1
H76A H 0.4755 0.5276 0.6152 0.226 Uiso 0.50 2 i calc PR A 1
H76B H 0.3949 0.4282 0.5944 0.226 Uiso 0.50 2 i calc PR A 1
C77A C 0.4508(16) 0.4800(17) 0.6993(9) 0.188(4) Uiso 0.50 2 i d PD A 1
H77A H 0.5155 0.4562 0.7023 0.282 Uiso 0.50 2 i calc PR A 1
H77B H 0.3963 0.4354 0.7086 0.282 Uiso 0.50 2 i calc PR A 1
H77C H 0.4626 0.5413 0.7327 0.282 Uiso 0.50 2 i calc PR A 1
C72B C 0.3251(16) 0.6843(18) 0.5298(12) 0.219(5) Uiso 0.50 2 i d PD B 2
H72D H 0.2646 0.7059 0.5444 0.329 Uiso 0.50 2 i calc PR B 2
H72E H 0.3825 0.6981 0.5693 0.329 Uiso 0.50 2 i calc PR B 2
H72F H 0.3065 0.6162 0.5086 0.329 Uiso 0.50 2 i calc PR B 2
C73B C 0.3590(12) 0.7355(16) 0.4784(12) 0.219(5) Uiso 0.50 2 i d PD B 2
H73C H 0.3006 0.7230 0.4390 0.263 Uiso 0.50 2 i calc PR B 2
H73D H 0.3782 0.8043 0.4997 0.263 Uiso 0.50 2 i calc PR B 2
C74B C 0.4529(14) 0.7003(11) 0.4548(13) 0.219(5) Uiso 0.50 2 i d PD B 2
H74C H 0.5002 0.6908 0.4935 0.263 Uiso 0.50 2 i calc PR B 2
H74D H 0.4286 0.6392 0.4198 0.263 Uiso 0.50 2 i calc PR B 2
C75B C 0.5113(14) 0.7734(13) 0.4256(12) 0.219(5) Uiso 0.50 2 i d PD B 2
H75C H 0.4670 0.7769 0.3833 0.263 Uiso 0.50 2 i calc PR B 2
H75D H 0.5275 0.8364 0.4585 0.263 Uiso 0.50 2 i calc PR B 2
C76B C 0.6129(11) 0.7448(14) 0.4106(12) 0.219(5) Uiso 0.50 2 i d PD B 2
H76C H 0.6675 0.7652 0.4527 0.263 Uiso 0.50 2 i calc PR B 2
H76D H 0.6374 0.7759 0.3774 0.263 Uiso 0.50 2 i calc PR B 2
C77B C 0.5932(18) 0.6370(14) 0.3819(14) 0.219(5) Uiso 0.50 2 i d PD B 2
H77D H 0.6583 0.6185 0.3738 0.329 Uiso 0.50 2 i calc PR B 2
H77E H 0.5412 0.6175 0.3392 0.329 Uiso 0.50 2 i calc PR B 2
H77F H 0.5674 0.6065 0.4145 0.329 Uiso 0.50 2 i calc PR B 2
C78A C 0.3779(12) 0.763(2) 0.0085(19) 0.283(8) Uiso 0.50 2 i d PD C 1
H78A H 0.3182 0.7821 0.0258 0.424 Uiso 0.50 2 i calc PR C 1
H78B H 0.3861 0.7024 0.0169 0.424 Uiso 0.50 2 i calc PR C 1
H78C H 0.3660 0.7566 -0.0403 0.424 Uiso 0.50 2 i calc PR C 1
C79A C 0.4772(12) 0.838(2) 0.0448(18) 0.283(8) Uiso 0.50 2 i d PD C 1
H79A H 0.4683 0.9000 0.0379 0.339 Uiso 0.50 2 i calc PR C 1
H79B H 0.4902 0.8441 0.0941 0.339 Uiso 0.50 2 i calc PR C 1
C80A C 0.5703(14) 0.8093(16) 0.0162(17) 0.283(8) Uiso 0.50 2 i d PD C 1
H80A H 0.5551 0.7986 -0.0336 0.339 Uiso 0.50 2 i calc PR C 1
H80B H 0.5825 0.7498 0.0262 0.339 Uiso 0.50 2 i calc PR C 1
C81A C 0.6680(11) 0.8879(13) 0.0487(18) 0.283(8) Uiso 0.50 2 i d PD C 1
H81A H 0.7165 0.8671 0.0809 0.339 Uiso 0.50 2 i calc PR C 1
H81B H 0.7042 0.9017 0.0132 0.339 Uiso 0.50 2 i calc PR C 1
C82A C 0.6358(18) 0.9772(15) 0.0862(15) 0.283(8) Uiso 0.50 2 i d PD C 1
H82A H 0.6512 0.9841 0.1356 0.339 Uiso 0.50 2 i calc PR C 1
H82B H 0.5600 0.9720 0.0712 0.339 Uiso 0.50 2 i calc PR C 1
C83A C 0.696(3) 1.0639(14) 0.0710(18) 0.283(8) Uiso 0.50 2 i d PD C 1
H83A H 0.6769 1.1210 0.0957 0.424 Uiso 0.50 2 i calc PR C 1
H83B H 0.6788 1.0577 0.0222 0.424 Uiso 0.50 2 i calc PR C 1
H83C H 0.7711 1.0683 0.0854 0.424 Uiso 0.50 2 i calc PR C 1
C78B C 0.457(2) 0.669(2) -0.0563(17) 0.367(12) Uiso 0.50 2 i d PD D 2
H78D H 0.5074 0.6556 -0.0843 0.550 Uiso 0.50 2 i calc PR D 2
H78E H 0.3940 0.6784 -0.0842 0.550 Uiso 0.50 2 i calc PR D 2
H78F H 0.4379 0.6167 -0.0371 0.550 Uiso 0.50 2 i calc PR D 2
C79B C 0.5040(16) 0.760(2) 0.002(2) 0.367(12) Uiso 0.50 2 i d PD D 2
H79C H 0.5344 0.8105 -0.0171 0.440 Uiso 0.50 2 i calc PR D 2
H79D H 0.5603 0.7479 0.0340 0.440 Uiso 0.50 2 i calc PR D 2
C80B C 0.419(2) 0.791(2) 0.038(2) 0.367(12) Uiso 0.50 2 i d PD D 2
H80C H 0.3977 0.7459 0.0640 0.440 Uiso 0.50 2 i calc PR D 2
H80D H 0.3566 0.7909 0.0044 0.440 Uiso 0.50 2 i calc PR D 2
C81B C 0.4606(18) 0.890(2) 0.0865(19) 0.367(12) Uiso 0.50 2 i d PD D 2
H81C H 0.4168 0.9338 0.0740 0.440 Uiso 0.50 2 i calc PR D 2
H81D H 0.4581 0.8888 0.1335 0.440 Uiso 0.50 2 i calc PR D 2
C82B C 0.5737(18) 0.9254(17) 0.082(2) 0.367(12) Uiso 0.50 2 i d PD D 2
H82C H 0.6203 0.8911 0.1041 0.440 Uiso 0.50 2 i calc PR D 2
H82D H 0.5789 0.9132 0.0337 0.440 Uiso 0.50 2 i calc PR D 2
C83B C 0.607(3) 1.0318(16) 0.117(2) 0.367(12) Uiso 0.50 2 i d PD D 2
H83D H 0.6798 1.0539 0.1151 0.550 Uiso 0.50 2 i calc PR D 2
H83E H 0.6005 1.0436 0.1642 0.550 Uiso 0.50 2 i calc PR D 2
H83F H 0.5625 1.0656 0.0935 0.550 Uiso 0.50 2 i calc PR D 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 N1 1.869(3) . ?
Ge1 C4 2.002(3) . ?
Ge1 C33 2.012(3) . ?
Ge1 C20 2.035(3) . ?
Ge2 C7 2.009(3) . ?
Ge2 C59 2.010(3) . ?
Ge2 C46 2.010(3) . ?
Ge2 C5 2.035(3) . ?
N1 C1 1.274(4) . ?
C1 C2 1.491(5) . ?
C1 C6 1.498(4) . ?
C2 C3 1.320(6) . ?
C4 C5 1.339(4) . ?
C4 C8 1.498(4) . ?
C5 C6 1.486(4) . ?
C6 C7 1.368(4) . ?
C7 C14 1.474(4) . ?
C8 C9 1.383(5) . ?
C8 C13 1.402(6) . ?
C9 C10 1.400(6) . ?
C10 C11 1.359(8) . ?
C11 C12 1.354(8) . ?
C12 C13 1.399(6) . ?
C14 C19 1.380(5) . ?
C14 C15 1.414(5) . ?
C15 C16 1.392(5) . ?
C16 C17 1.365(7) . ?
C17 C18 1.386(6) . ?
C18 C19 1.388(5) . ?
C20 C21 1.423(5) . ?
C20 C25 1.428(5) . ?
C21 C22 1.408(5) . ?
C21 C26 1.525(6) . ?
C22 C23 1.386(6) . ?
C22 C27 1.510(6) . ?
C23 C24 1.384(6) . ?
C23 C28 1.521(6) . ?
C24 C25 1.405(5) . ?
C25 C29 1.543(5) . ?
C29 C32 1.518(6) . ?
C29 C31 1.535(6) . ?
C29 C30 1.546(6) . ?
C33 C34 1.413(5) . ?
C33 C38 1.419(5) . ?
C34 C35 1.401(6) . ?
C34 C39 1.566(6) . ?
C35 C36 1.375(7) . ?
C35 C40 1.523(8) . ?
C36 C37 1.376(7) . ?
C36 C41 1.559(7) . ?
C37 C38 1.413(6) . ?
C38 C42 1.535(6) . ?
C42 C43 1.522(6) . ?
C42 C45 1.544(5) . ?
C42 C44 1.549(6) . ?
C46 C51 1.409(5) . ?
C46 C47 1.419(4) . ?
C47 C48 1.408(5) . ?
C47 C52 1.514(5) . ?
C48 C49 1.390(6) . ?
C48 C53 1.528(5) . ?
C49 C50 1.396(5) . ?
C49 C54 1.521(6) . ?
C50 C51 1.389(5) . ?
C51 C55 1.559(4) . ?
C55 C57 1.530(6) . ?
C55 C58 1.532(5) . ?
C55 C56 1.544(5) . ?
C59 C60 1.419(4) . ?
C59 C64 1.427(4) . ?
C60 C61 1.405(5) . ?
C60 C65 1.526(4) . ?
C61 C62 1.391(5) . ?
C61 C66 1.525(5) . ?
C62 C63 1.394(5) . ?
C62 C67 1.508(5) . ?
C63 C64 1.381(5) . ?
C64 C68 1.552(4) . ?
C68 C71 1.537(5) . ?
C68 C69 1.539(5) . ?
C68 C70 1.539(5) . ?
C72A C73A 1.5402(10) . ?
C73A C74A 1.5402(10) . ?
C74A C75A 1.5398(10) . ?
C75A C76A 1.5395(10) . ?
C76A C77A 1.5398(10) . ?
C72B C73B 1.5400(10) . ?
C73B C74B 1.5398(10) . ?
C74B C75B 1.5398(10) . ?
C75B C76B 1.5395(10) . ?
C76B C77B 1.5399(10) . ?
C78A C79A 1.5402(10) . ?
C79A C80A 1.5397(10) . ?
C80A C81A 1.5400(10) . ?
C81A C82A 1.5399(10) . ?
C82A C83A 1.5399(10) . ?
C78B C79B 1.5399(10) . ?
C79B C80B 1.5402(10) . ?
C80B C81B 1.5404(10) . ?
C81B C82B 1.5402(11) . ?
C82B C83B 1.5401(10) . ?
