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#$Date: 2016-03-21 06:10:35 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178495 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/06/4060612.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_4060612
loop_
_publ_author_name
' Tomoyuki Tajima '
' Nobuhiro Takeda '
' Takahiro Sasamori '
' Norihiro Tokitoh'
'Takeshi Yoshida'
' Masaru Nakahara '
_publ_section_title
;
  Synthesis of Bis(germacyclopropa)benzenes and
Structures of Their Annelated Benzene Rings
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0507629
_journal_year                    2006
_chemical_formula_moiety         'C84 H154 Ge2 Si12, C6 H14'
_chemical_formula_sum            'C90 H168 Ge2 Si12'
_chemical_formula_weight         1732.50
_chemical_name_common            bisgermacyclopropabenzenetrans
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.659(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.2827(14)
_cell_length_b                   43.085(2)
_cell_length_c                   17.3703(15)
_cell_measurement_temperature    103(2)
_cell_volume                     10554.8(15)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    1.090
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060612
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.52583(3) 0.173253(11) 0.07221(3) 0.01579(11) Uani 1 1 d . . .
C1 C 0.5147(3) 0.16328(10) -0.0399(3) 0.0169(9) Uani 1 1 d . . .
C2 C 0.5161(3) 0.13635(10) 0.0050(3) 0.0176(10) Uani 1 1 d . . .
C3 C 0.5138(3) 0.10648(10) -0.0265(3) 0.0189(10) Uani 1 1 d . . .
H1 H 0.5142 0.0881 0.0040 0.023 Uiso 1 1 calc R . .
C4 C 0.5107(3) 0.10651(10) -0.1079(3) 0.0184(10) Uani 1 1 d . . .
C5 C 0.5114(3) 0.13334(10) -0.1520(3) 0.0182(10) Uani 1 1 d . . .
C6 C 0.5128(3) 0.16323(10) -0.1213(3) 0.0189(10) Uani 1 1 d . . .
H2 H 0.5125 0.1815 -0.1520 0.023 Uiso 1 1 calc R . .
Ge2 Ge 0.50603(3) 0.096626(11) -0.21812(3) 0.01817(11) Uani 1 1 d . . .
C7 C 0.6178(3) 0.08117(10) -0.2355(3) 0.0171(9) Uani 1 1 d . . .
C8 C 0.6166(3) 0.08173(10) -0.3179(3) 0.0181(10) Uani 1 1 d . . .
C9 C 0.6896(3) 0.06718(10) -0.3334(3) 0.0206(10) Uani 1 1 d . . .
H3 H 0.6869 0.0670 -0.3890 0.025 Uiso 1 1 calc R . .
C10 C 0.7663(3) 0.05286(10) -0.2718(3) 0.0189(10) Uani 1 1 d . . .
C11 C 0.7703(3) 0.05486(10) -0.1902(3) 0.0198(10) Uani 1 1 d . . .
H4 H 0.8239 0.0464 -0.1464 0.024 Uiso 1 1 calc R . .
C12 C 0.6988(3) 0.06869(10) -0.1702(3) 0.0193(10) Uani 1 1 d . . .
C13 C 0.5418(3) 0.09857(10) -0.3915(3) 0.0190(10) Uani 1 1 d . . .
H5 H 0.4915 0.1049 -0.3712 0.023 Uiso 1 1 calc R . .
C14 C 0.8383(3) 0.03541(11) -0.2956(3) 0.0259(11) Uani 1 1 d . . .
H6 H 0.8145 0.0387 -0.3573 0.031 Uiso 1 1 calc R . .
C15 C 0.7165(3) 0.07177(10) -0.0776(3) 0.0197(10) Uani 1 1 d . . .
H7 H 0.6563 0.0809 -0.0778 0.024 Uiso 1 1 calc R . .
Si1 Si 0.47937(9) 0.07230(3) -0.48518(8) 0.0223(3) Uani 1 1 d . . .
Si2 Si 0.59366(10) 0.13637(3) -0.41214(8) 0.0276(3) Uani 1 1 d . . .
Si3 Si 0.96080(10) 0.05303(3) -0.25750(9) 0.0307(3) Uani 1 1 d . . .
Si4 Si 0.82877(10) -0.00802(3) -0.28701(9) 0.0269(3) Uani 1 1 d . . .
Si5 Si 0.73104(9) 0.03477(3) -0.01566(8) 0.0237(3) Uani 1 1 d . . .
Si6 Si 0.80967(9) 0.10286(3) -0.02530(8) 0.0220(3) Uani 1 1 d . . .
C16 C 0.4572(4) 0.03371(11) -0.4486(3) 0.0306(12) Uani 1 1 d . . .
H8 H 0.4118 0.0359 -0.4216 0.046 Uiso 1 1 calc R . .
H9 H 0.5169 0.0252 -0.4085 0.046 Uiso 1 1 calc R . .
H10 H 0.4311 0.0196 -0.4963 0.046 Uiso 1 1 calc R . .
C17 C 0.3610(3) 0.08935(11) -0.5498(3) 0.0261(11) Uani 1 1 d . . .
H11 H 0.3298 0.0764 -0.5991 0.039 Uiso 1 1 calc R . .
H12 H 0.3697 0.1103 -0.5673 0.039 Uiso 1 1 calc R . .
H13 H 0.3217 0.0902 -0.5167 0.039 Uiso 1 1 calc R . .
C18 C 0.5469(4) 0.06628(12) -0.5539(3) 0.0297(12) Uani 1 1 d . . .
H14 H 0.6062 0.0553 -0.5227 0.045 Uiso 1 1 calc R . .
H15 H 0.5612 0.0865 -0.5724 0.045 Uiso 1 1 calc R . .
H16 H 0.5086 0.0539 -0.6026 0.045 Uiso 1 1 calc R . .
C19 C 0.6150(4) 0.16298(12) -0.3218(3) 0.0438(15) Uani 1 1 d . . .
H17 H 0.6491 0.1518 -0.2696 0.066 Uiso 1 1 calc R . .
H18 H 0.5541 0.1704 -0.3223 0.066 Uiso 1 1 calc R . .
H19 H 0.6529 0.1807 -0.3260 0.066 Uiso 1 1 calc R . .
C20 C 0.5128(4) 0.15654(12) -0.5089(3) 0.0348(13) Uani 1 1 d . . .
H20 H 0.4518 0.1606 -0.5046 0.052 Uiso 1 1 calc R . .
H21 H 0.5029 0.1433 -0.5575 0.052 Uiso 1 1 calc R . .
H22 H 0.5415 0.1762 -0.5152 0.052 Uiso 1 1 calc R . .
C21 C 0.7091(4) 0.13085(12) -0.4245(3) 0.0377(13) Uani 1 1 d . . .
H23 H 0.7283 0.1505 -0.4420 0.057 Uiso 1 1 calc R . .
H24 H 0.7018 0.1149 -0.4668 0.057 Uiso 1 1 calc R . .
H25 H 0.7578 0.1243 -0.3711 0.057 Uiso 1 1 calc R . .
C22 C 0.9542(4) 0.09396(13) -0.2932(4) 0.0508(16) Uani 1 1 d . . .
H26 H 0.9201 0.1064 -0.2665 0.076 Uiso 1 1 calc R . .
H27 H 0.9205 0.0948 -0.3539 0.076 Uiso 1 1 calc R . .
H28 H 1.0184 0.1022 -0.2779 0.076 Uiso 1 1 calc R . .
C23 C 1.0177(4) 0.05371(14) -0.1410(3) 0.0454(15) Uani 1 1 d . . .
H29 H 1.0854 0.0583 -0.1235 0.068 Uiso 1 1 calc R . .
H30 H 1.0099 0.0334 -0.1189 0.068 Uiso 1 1 calc R . .
H31 H 0.9876 0.0697 -0.1195 0.068 Uiso 1 1 calc R . .
C24 C 1.0392(4) 0.03059(14) -0.2966(4) 0.0479(16) Uani 1 1 d . . .
H32 H 1.1013 0.0407 -0.2786 0.072 Uiso 1 1 calc R . .
H33 H 1.0107 0.0298 -0.3577 0.072 Uiso 1 1 calc R . .
H34 H 1.0468 0.0094 -0.2742 0.072 Uiso 1 1 calc R . .
C25 C 0.8409(4) -0.02668(14) -0.3787(4) 0.0461(15) Uani 1 1 d . . .
H35 H 0.8339 -0.0492 -0.3758 0.069 Uiso 1 1 calc R . .
H36 H 0.9036 -0.0220 -0.3789 0.069 Uiso 1 1 calc R . .
H37 H 0.7918 -0.0187 -0.4300 0.069 Uiso 1 1 calc R . .
C26 C 0.7102(3) -0.01775(11) -0.2860(3) 0.0277(11) Uani 1 1 d . . .
H38 H 0.6604 -0.0097 -0.3367 0.041 Uiso 1 1 calc R . .
H39 H 0.7042 -0.0084 -0.2369 0.041 Uiso 1 1 calc R . .
H40 H 0.7039 -0.0403 -0.2839 0.041 Uiso 1 1 calc R . .
C27 C 0.9232(4) -0.02458(12) -0.1893(3) 0.0383(13) Uani 1 1 d . . .
H41 H 0.9135 -0.0470 -0.1870 0.057 Uiso 1 1 calc R . .
H42 H 0.9191 -0.0146 -0.1401 0.057 Uiso 1 1 calc R . .
H43 H 0.9860 -0.0207 -0.1903 0.057 Uiso 1 1 calc R . .
C28 C 0.7780(3) 0.12280(11) 0.0558(3) 0.0262(11) Uani 1 1 d . . .
H44 H 0.8220 0.1401 0.0797 0.039 Uiso 1 1 calc R . .
H45 H 0.7824 0.1080 0.1000 0.039 Uiso 1 1 calc R . .
H46 H 0.7131 0.1308 0.0304 0.039 Uiso 1 1 calc R . .
C29 C 0.8096(4) 0.13190(11) -0.1048(3) 0.0312(12) Uani 1 1 d . . .
H47 H 0.7468 0.1415 -0.1299 0.047 Uiso 1 1 calc R . .
H48 H 0.8251 0.1216 -0.1482 0.047 Uiso 1 1 calc R . .
H49 H 0.8570 0.1480 -0.0780 0.047 Uiso 1 1 calc R . .
C30 C 0.9328(3) 0.08681(12) 0.0272(3) 0.0331(12) Uani 1 1 d . . .
H50 H 0.9483 0.0741 -0.0126 0.050 Uiso 1 1 calc R . .
H51 H 0.9361 0.0740 0.0749 0.050 Uiso 1 1 calc R . .
H52 H 0.9782 0.1040 0.0467 0.050 Uiso 1 1 calc R . .
C31 C 0.6157(4) 0.01383(11) -0.0537(3) 0.0329(12) Uani 1 1 d . . .
H53 H 0.5995 0.0073 -0.1116 0.049 Uiso 1 1 calc R . .
H54 H 0.5661 0.0276 -0.0507 0.049 Uiso 1 1 calc R . .
H55 H 0.6207 -0.0045 -0.0187 0.049 Uiso 1 1 calc R . .
C32 C 0.7595(4) 0.04362(13) 0.0973(3) 0.0370(13) Uani 1 1 d . . .
H56 H 0.7113 0.0577 0.1020 0.055 Uiso 1 1 calc R . .
H57 H 0.8219 0.0535 0.1216 0.055 Uiso 1 1 calc R . .
H58 H 0.7600 0.0243 0.1272 0.055 Uiso 1 1 calc R . .
C33 C 0.8231(4) 0.00744(12) -0.0211(3) 0.0364(13) Uani 1 1 d . . .
H59 H 0.8309 -0.0097 0.0181 0.055 Uiso 1 1 calc R . .
H60 H 0.8834 0.0185 -0.0064 0.055 Uiso 1 1 calc R . .
H61 H 0.8032 -0.0008 -0.0779 0.055 Uiso 1 1 calc R . .
C34 C 0.4188(3) 0.18803(10) 0.0989(2) 0.0151(9) Uani 1 1 d . . .
C35 C 0.3446(3) 0.16811(10) 0.0988(2) 0.0167(9) Uani 1 1 d . . .
C36 C 0.2753(3) 0.17981(10) 0.1255(3) 0.0180(10) Uani 1 1 d . . .
H62 H 0.2268 0.1662 0.1266 0.022 Uiso 1 1 calc R . .
C37 C 0.2747(3) 0.21046(10) 0.1505(3) 0.0183(10) Uani 1 1 d . . .
C38 C 0.3462(3) 0.22978(11) 0.1469(3) 0.0204(10) Uani 1 1 d . . .
H63 H 0.3463 0.2510 0.1620 0.024 Uiso 1 1 calc R . .
C39 C 0.4176(3) 0.21934(10) 0.1220(2) 0.0165(9) Uani 1 1 d . . .
C40 C 0.3316(3) 0.13497(10) 0.0659(3) 0.0176(9) Uani 1 1 d . . .
H64 H 0.3922 0.1303 0.0588 0.021 Uiso 1 1 calc R . .
C41 C 0.1986(3) 0.22308(11) 0.1778(3) 0.0254(11) Uani 1 1 d . . .
H65 H 0.2104 0.2460 0.1817 0.030 Uiso 1 1 calc R . .
C42 C 0.4908(3) 0.24339(10) 0.1220(3) 0.0186(10) Uani 1 1 d . . .
H66 H 0.5391 0.2315 0.1084 0.022 Uiso 1 1 calc R . .
Si7 Si 0.23803(9) 0.13465(3) -0.04510(8) 0.0219(3) Uani 1 1 d . . .
Si8 Si 0.32479(9) 0.10422(3) 0.14066(9) 0.0255(3) Uani 1 1 d . . .
Si9 Si 0.07415(9) 0.21947(3) 0.09636(8) 0.0228(3) Uani 1 1 d . . .
Si10 Si 0.21867(10) 0.21153(4) 0.28883(9) 0.0400(4) Uani 1 1 d . . .
Si11 Si 0.55709(9) 0.25831(3) 0.23277(8) 0.0232(3) Uani 1 1 d . . .
Si12 Si 0.43819(9) 0.27207(3) 0.03250(8) 0.0250(3) Uani 1 1 d . . .
C43 C 0.2531(3) 0.17022(12) -0.0997(3) 0.0284(11) Uani 1 1 d . . .
H67 H 0.3176 0.1708 -0.0988 0.043 Uiso 1 1 calc R . .
H68 H 0.2423 0.1886 -0.0714 0.043 Uiso 1 1 calc R . .
H69 H 0.2073 0.1699 -0.1576 0.043 Uiso 1 1 calc R . .
C44 C 0.2544(4) 0.09994(12) -0.1029(3) 0.0358(13) Uani 1 1 d . . .
H70 H 0.2081 0.1006 -0.1606 0.054 Uiso 1 1 calc R . .
H71 H 0.2451 0.0810 -0.0758 0.054 Uiso 1 1 calc R . .
H72 H 0.3187 0.1001 -0.1026 0.054 Uiso 1 1 calc R . .
C45 C 0.1130(3) 0.13506(12) -0.0508(3) 0.0294(12) Uani 1 1 d . . .
H73 H 0.1051 0.1523 -0.0173 0.044 Uiso 1 1 calc R . .
H74 H 0.0995 0.1154 -0.0293 0.044 Uiso 1 1 calc R . .
H75 H 0.0692 0.1377 -0.1090 0.044 Uiso 1 1 calc R . .
C46 C 0.4070(4) 0.11443(13) 0.2487(3) 0.0369(13) Uani 1 1 d . . .
H76 H 0.4015 0.1366 0.2584 0.055 Uiso 1 1 calc R . .
H77 H 0.4723 0.1097 0.2557 0.055 Uiso 1 1 calc R . .
H78 H 0.3903 0.1024 0.2890 0.055 Uiso 1 1 calc R . .
C47 C 0.3668(5) 0.06668(13) 0.1130(4) 0.0501(16) Uani 1 1 d . . .
H79 H 0.3752 0.0514 0.1571 0.075 Uiso 1 1 calc R . .
H80 H 0.4275 0.0700 0.1072 0.075 Uiso 1 1 calc R . .
H81 H 0.3198 0.0590 0.0601 0.075 Uiso 1 1 calc R . .
C48 C 0.2046(3) 0.09725(13) 0.1421(3) 0.0392(14) Uani 1 1 d . . .
H82 H 0.2109 0.0854 0.1921 0.059 Uiso 1 1 calc R . .
H83 H 0.1658 0.0855 0.0923 0.059 Uiso 1 1 calc R . .
H84 H 0.1740 0.1172 0.1426 0.059 Uiso 1 1 calc R . .
C49 C 0.0785(4) 0.22460(13) -0.0084(3) 0.0362(13) Uani 1 1 d . . .
H85 H 0.0141 0.2233 -0.0512 0.054 Uiso 1 1 calc R . .
H86 H 0.1179 0.2083 -0.0177 0.054 Uiso 1 1 calc R . .
H87 H 0.1056 0.2449 -0.0113 0.054 Uiso 1 1 calc R . .
C50 C 0.0176(3) 0.18155(11) 0.1009(3) 0.0278(11) Uani 1 1 d . . .
H88 H -0.0423 0.1796 0.0525 0.042 Uiso 1 1 calc R . .
H89 H 0.0052 0.1805 0.1522 0.042 Uiso 1 1 calc R . .
H90 H 0.0602 0.1646 0.1006 0.042 Uiso 1 1 calc R . .
C51 C -0.0001(3) 0.25196(12) 0.1089(3) 0.0335(12) Uani 1 1 d . . .
H91 H 0.0306 0.2718 0.1074 0.050 Uiso 1 1 calc R . .
H92 H -0.0069 0.2498 0.1625 0.050 Uiso 1 1 calc R . .
H93 H -0.0628 0.2513 0.0634 0.050 Uiso 1 1 calc R . .
C52 C 0.2411(5) 0.16925(17) 0.3062(4) 0.067(2) Uani 1 1 d . . .
H94 H 0.2431 0.1637 0.3616 0.101 Uiso 1 1 calc R . .
H95 H 0.3019 0.1641 0.3027 0.101 Uiso 1 1 calc R . .
H96 H 0.1902 0.1577 0.2635 0.101 Uiso 1 1 calc R . .
C53 C 0.1135(4) 0.22180(17) 0.3136(3) 0.0525(18) Uani 1 1 d . . .
H97 H 0.0564 0.2124 0.2720 0.079 Uiso 1 1 calc R . .
H98 H 0.1061 0.2444 0.3126 0.079 Uiso 1 1 calc R . .
H99 H 0.1228 0.2139 0.3692 0.079 Uiso 1 1 calc R . .
C54 C 0.3243(4) 0.2328(2) 0.3626(4) 0.079(3) Uani 1 1 d . . .
H100 H 0.3325 0.2280 0.4201 0.119 Uiso 1 1 calc R . .
H101 H 0.3149 0.2552 0.3528 0.119 Uiso 1 1 calc R . .
H102 H 0.3810 0.2263 0.3534 0.119 Uiso 1 1 calc R . .
C55 C 0.5673(4) 0.22556(12) 0.3063(3) 0.0315(12) Uani 1 1 d . . .
H103 H 0.5935 0.2073 0.2891 0.047 Uiso 1 1 calc R . .
H104 H 0.5045 0.2206 0.3056 0.047 Uiso 1 1 calc R . .
H105 H 0.6095 0.2316 0.3629 0.047 Uiso 1 1 calc R . .
C56 C 0.4980(4) 0.29265(12) 0.2586(3) 0.0357(13) Uani 1 1 d . . .
H106 H 0.5390 0.3010 0.3131 0.054 Uiso 1 1 calc R . .
H107 H 0.4373 0.2862 0.2605 0.054 Uiso 1 1 calc R . .
H108 H 0.4868 0.3087 0.2158 0.054 Uiso 1 1 calc R . .
C57 C 0.6807(3) 0.26874(13) 0.2478(3) 0.0335(12) Uani 1 1 d . . .
H109 H 0.6798 0.2865 0.2123 0.050 Uiso 1 1 calc R . .
H110 H 0.7110 0.2510 0.2326 0.050 Uiso 1 1 calc R . .
H111 H 0.7164 0.2742 0.3064 0.050 Uiso 1 1 calc R . .
C58 C 0.4236(4) 0.25145(13) -0.0664(3) 0.0377(13) Uani 1 1 d . . .
H112 H 0.3833 0.2638 -0.1143 0.057 Uiso 1 1 calc R . .
H113 H 0.3941 0.2312 -0.0676 0.057 Uiso 1 1 calc R . .
H114 H 0.4859 0.2485 -0.0693 0.057 Uiso 1 1 calc R . .
C59 C 0.3191(4) 0.28718(13) 0.0224(4) 0.0395(14) Uani 1 1 d . . .
H115 H 0.2966 0.3023 -0.0231 0.059 Uiso 1 1 calc R . .
H116 H 0.3245 0.2972 0.0747 0.059 Uiso 1 1 calc R . .
H117 H 0.2740 0.2699 0.0103 0.059 Uiso 1 1 calc R . .
C60 C 0.5151(4) 0.30686(12) 0.0436(4) 0.0417(14) Uani 1 1 d . . .
H118 H 0.5779 0.3002 0.0473 0.062 Uiso 1 1 calc R . .
H119 H 0.5214 0.3182 0.0944 0.062 Uiso 1 1 calc R . .
H120 H 0.4863 0.3204 -0.0050 0.062 Uiso 1 1 calc R . .
C61 C 0.3777(3) 0.08469(11) -0.2979(3) 0.0201(10) Uani 1 1 d . . .
C62 C 0.3488(3) 0.05365(12) -0.2977(3) 0.0247(11) Uani 1 1 d . . .
C63 C 0.2580(3) 0.04486(13) -0.3532(3) 0.0317(12) Uani 1 1 d . . .
H121 H 0.2378 0.0240 -0.3537 0.038 Uiso 1 1 calc R . .
C64 C 0.1980(4) 0.06614(14) -0.4068(3) 0.0381(14) Uani 1 1 d . . .
H122 H 0.1376 0.0597 -0.4455 0.046 Uiso 1 1 calc R . .
C65 C 0.2248(3) 0.09668(13) -0.4050(3) 0.0306(12) Uani 1 1 d . . .
H123 H 0.1816 0.1113 -0.4409 0.037 Uiso 1 1 calc R . .
C66 C 0.3147(3) 0.10663(11) -0.3510(3) 0.0258(11) Uani 1 1 d . . .
C67 C 0.4076(3) 0.02998(11) -0.2334(3) 0.0258(11) Uani 1 1 d . . .
H124 H 0.4741 0.0380 -0.2083 0.031 Uiso 1 1 calc R . .
C68 C 0.4108(4) -0.00226(12) -0.2692(3) 0.0414(14) Uani 1 1 d . . .
H125 H 0.3472 -0.0114 -0.2903 0.062 Uiso 1 1 calc R . .
H126 H 0.4542 -0.0156 -0.2253 0.062 Uiso 1 1 calc R . .
H127 H 0.4331 -0.0005 -0.3149 0.062 Uiso 1 1 calc R . .
C69 C 0.3701(4) 0.02799(14) -0.1643(3) 0.0394(14) Uani 1 1 d . . .
H128 H 0.3789 0.0480 -0.1356 0.059 Uiso 1 1 calc R . .
H129 H 0.4048 0.0119 -0.1244 0.059 Uiso 1 1 calc R . .
H130 H 0.3025 0.0228 -0.1884 0.059 Uiso 1 1 calc R . .
C70 C 0.3371(4) 0.14103(11) -0.3481(3) 0.0286(11) Uani 1 1 d . . .
H131 H 0.4076 0.1434 -0.3224 0.034 Uiso 1 1 calc R . .
C71 C 0.3014(4) 0.15708(13) -0.4339(3) 0.0410(14) Uani 1 1 d . . .
H132 H 0.3236 0.1456 -0.4715 0.061 Uiso 1 1 calc R . .
H133 H 0.3258 0.1784 -0.4276 0.061 Uiso 1 1 calc R . .
H134 H 0.2319 0.1575 -0.4572 0.061 Uiso 1 1 calc R . .
C72 C 0.2957(4) 0.15768(13) -0.2919(3) 0.0408(14) Uani 1 1 d . . .
H135 H 0.2263 0.1564 -0.3169 0.061 Uiso 1 1 calc R . .
H136 H 0.3150 0.1795 -0.2861 0.061 Uiso 1 1 calc R . .
H137 H 0.3191 0.1478 -0.2368 0.061 Uiso 1 1 calc R . .
C73 C 0.6587(3) 0.18128(10) 0.1481(3) 0.0189(10) Uani 1 1 d . . .
C74 C 0.7189(3) 0.20028(10) 0.1242(3) 0.0195(10) Uani 1 1 d . . .
C75 C 0.8146(3) 0.20271(11) 0.1776(3) 0.0241(11) Uani 1 1 d . . .
H138 H 0.8559 0.2154 0.1619 0.029 Uiso 1 1 calc R . .
C76 C 0.8499(3) 0.18700(12) 0.2526(3) 0.0285(12) Uani 1 1 d . . .
H139 H 0.9147 0.1891 0.2885 0.034 Uiso 1 1 calc R . .
C77 C 0.7910(3) 0.16821(11) 0.2753(3) 0.0259(11) Uani 1 1 d . . .
H140 H 0.8161 0.1573 0.3267 0.031 Uiso 1 1 calc R . .
C78 C 0.6950(3) 0.16477(11) 0.2243(3) 0.0202(10) Uani 1 1 d . . .
C79 C 0.6864(3) 0.21811(10) 0.0420(3) 0.0211(10) Uani 1 1 d . . .
H141 H 0.6156 0.2169 0.0155 0.025 Uiso 1 1 calc R . .
C80 C 0.7262(3) 0.20346(12) -0.0185(3) 0.0284(11) Uani 1 1 d . . .
H142 H 0.7956 0.2044 0.0060 0.043 Uiso 1 1 calc R . .
H143 H 0.7025 0.2149 -0.0714 0.043 Uiso 1 1 calc R . .
H144 H 0.7059 0.1817 -0.0286 0.043 Uiso 1 1 calc R . .
C81 C 0.7143(3) 0.25254(11) 0.0546(3) 0.0296(12) Uani 1 1 d . . .
H145 H 0.6895 0.2618 0.0937 0.044 Uiso 1 1 calc R . .
H146 H 0.6875 0.2634 0.0010 0.044 Uiso 1 1 calc R . .
H147 H 0.7835 0.2544 0.0773 0.044 Uiso 1 1 calc R . .
C82 C 0.6357(3) 0.14160(11) 0.2497(3) 0.0210(10) Uani 1 1 d . . .
H148 H 0.5676 0.1477 0.2208 0.025 Uiso 1 1 calc R . .
C83 C 0.6475(4) 0.10903(11) 0.2192(3) 0.0308(12) Uani 1 1 d . . .
H149 H 0.6278 0.1093 0.1584 0.046 Uiso 1 1 calc R . .
H150 H 0.6082 0.0943 0.2345 0.046 Uiso 1 1 calc R . .
H151 H 0.7142 0.1028 0.2452 0.046 Uiso 1 1 calc R . .
C84 C 0.6581(3) 0.14105(12) 0.3436(3) 0.0291(11) Uani 1 1 d . . .
H152 H 0.7224 0.1330 0.3733 0.044 Uiso 1 1 calc R . .
H153 H 0.6124 0.1277 0.3547 0.044 Uiso 1 1 calc R . .
H154 H 0.6539 0.1622 0.3630 0.044 Uiso 1 1 calc R . .
C85 C 0.0304(6) 0.1157(2) 0.2756(5) 0.088(2) Uani 1 1 d DU . .
H155 H 0.0773 0.1323 0.2854 0.133 Uiso 0.623(8) 1 calc PR A 1
H156 H -0.0295 0.1220 0.2315 0.133 Uiso 0.623(8) 1 calc PR A 1
H157 H 0.0537 0.0968 0.2585 0.133 Uiso 0.623(8) 1 calc PR A 1
H158 H 0.0202 0.1131 0.2167 0.133 Uiso 0.377(8) 1 calc PR A 2
H159 H 0.0956 0.1098 0.3107 0.133 Uiso 0.377(8) 1 calc PR A 2
H160 H 0.0198 0.1374 0.2862 0.133 Uiso 0.377(8) 1 calc PR A 2
C86 C -0.1839(7) 0.0435(3) 0.4593(6) 0.123(3) Uani 1 1 d DU . .
H161 H -0.2252 0.0252 0.4473 0.185 Uiso 0.623(8) 1 calc PR A 1
H162 H -0.2197 0.0619 0.4632 0.185 Uiso 0.623(8) 1 calc PR A 1
H163 H -0.1298 0.0405 0.5122 0.185 Uiso 0.623(8) 1 calc PR A 1
H164 H -0.2097 0.0415 0.5027 0.185 Uiso 0.377(8) 1 calc PR A 2
H165 H -0.1438 0.0255 0.4614 0.185 Uiso 0.377(8) 1 calc PR A 2
H166 H -0.2362 0.0444 0.4044 0.185 Uiso 0.377(8) 1 calc PR A 2
C87 C -0.0862(6) 0.0762(3) 0.4075(6) 0.117(3) Uani 1 1 d DU . .
H167 H -0.1198 0.0941 0.4193 0.140 Uiso 0.623(8) 1 calc PR A 1
H168 H -0.0278 0.0725 0.4576 0.140 Uiso 0.623(8) 1 calc PR A 1
H169 H -0.1437 0.0767 0.3554 0.140 Uiso 0.377(8) 1 calc PR A 2
H170 H -0.0569 0.0557 0.4076 0.140 Uiso 0.377(8) 1 calc PR A 2
C88 C -0.0603(9) 0.0837(3) 0.3354(8) 0.096(3) Uani 0.623(8) 1 d PDU A 1
H171 H -0.1179 0.0904 0.2878 0.115 Uiso 0.623(8) 1 calc PR A 1
H172 H -0.0357 0.0648 0.3184 0.115 Uiso 0.623(8) 1 calc PR A 1
C89 C 0.0146(9) 0.1094(3) 0.3558(7) 0.090(3) Uani 0.623(8) 1 d PDU A 1
H173 H -0.0080 0.1284 0.3744 0.108 Uiso 0.623(8) 1 calc PR A 1
H174 H 0.0744 0.1026 0.4007 0.108 Uiso 0.623(8) 1 calc PR A 1
C90 C -0.1486(11) 0.0480(3) 0.3901(8) 0.115(4) Uani 0.623(8) 1 d PDU A 1
H175 H -0.1123 0.0294 0.3859 0.138 Uiso 0.623(8) 1 calc PR A 1
H176 H -0.2031 0.0505 0.3362 0.138 Uiso 0.623(8) 1 calc PR A 1
C91 C -0.0374(12) 0.0954(5) 0.2960(11) 0.081(3) Uani 0.377(8) 1 d PDU A 2
H177 H -0.0288 0.0735 0.2831 0.098 Uiso 0.377(8) 1 calc PR A 2
H178 H -0.1034 0.1016 0.2616 0.098 Uiso 0.377(8) 1 calc PR A 2
C92 C -0.0194(13) 0.0986(5) 0.3893(11) 0.089(4) Uani 0.377(8) 1 d PDU A 2
H179 H 0.0473 0.0935 0.4241 0.107 Uiso 0.377(8) 1 calc PR A 2
H180 H -0.0320 0.1202 0.4019 0.107 Uiso 0.377(8) 1 calc PR A 2
C93 C -0.1255(17) 0.0728(5) 0.4736(12) 0.128(4) Uani 0.377(8) 1 d PDU A 2
H181 H -0.1656 0.0910 0.4726 0.154 Uiso 0.377(8) 1 calc PR A 2
H182 H -0.0730 0.0719 0.5292 0.154 Uiso 0.377(8) 1 calc PR A 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 C1 1.937(4) . ?
Ge1 C2 1.944(4) . ?
Ge1 C34 1.970(4) . ?
Ge1 C73 1.979(4) . ?
C1 C2 1.394(6) . ?
C1 C6 1.403(6) . ?
C2 C3 1.394(6) . ?
C3 C4 1.397(6) . ?
C3 H1 0.9500 . ?
C4 C5 1.389(6) . ?
C4 Ge2 1.935(4) . ?
C5 C6 1.391(6) . ?
C5 Ge2 1.938(4) . ?
C6 H2 0.9500 . ?
Ge2 C7 1.962(4) . ?
Ge2 C61 1.985(4) . ?
C7 C8 1.423(6) . ?
C7 C12 1.423(6) . ?
C8 C9 1.395(6) . ?
C8 C13 1.530(6) . ?
C9 C10 1.391(6) . ?
C9 H3 0.9500 . ?
C10 C11 1.397(6) . ?
C10 C14 1.515(6) . ?
C11 C12 1.401(6) . ?
C11 H4 0.9500 . ?
C12 C15 1.531(6) . ?
C13 Si2 1.905(5) . ?
C13 Si1 1.909(4) . ?
C13 H5 1.0000 . ?
C14 Si4 1.887(5) . ?
C14 Si3 1.888(5) . ?
C14 H6 1.0000 . ?
C15 Si5 1.888(5) . ?
C15 Si6 1.911(4) . ?
C15 H7 1.0000 . ?
Si1 C16 1.857(5) . ?
Si1 C18 1.872(5) . ?
Si1 C17 1.872(5) . ?
Si2 C19 1.868(5) . ?
Si2 C20 1.872(5) . ?
Si2 C21 1.873(5) . ?
Si3 C22 1.859(6) . ?
Si3 C24 1.860(5) . ?
Si3 C23 1.870(6) . ?
Si4 C25 1.857(6) . ?
Si4 C26 1.866(5) . ?
Si4 C27 1.893(5) . ?
Si5 C31 1.860(5) . ?
Si5 C33 1.864(5) . ?
Si5 C32 1.878(5) . ?
Si6 C29 1.863(5) . ?
Si6 C28 1.866(5) . ?
Si6 C30 1.878(5) . ?
C16 H8 0.9800 . ?
C16 H9 0.9800 . ?
C16 H10 0.9800 . ?
C17 H11 0.9800 . ?
C17 H12 0.9800 . ?
C17 H13 0.9800 . ?
C18 H14 0.9800 . ?
C18 H15 0.9800 . ?
C18 H16 0.9800 . ?
C19 H17 0.9800 . ?
C19 H18 0.9800 . ?
C19 H19 0.9800 . ?
C20 H20 0.9800 . ?
C20 H21 0.9800 . ?
C20 H22 0.9800 . ?
C21 H23 0.9800 . ?
C21 H24 0.9800 . ?
C21 H25 0.9800 . ?
C22 H26 0.9800 . ?
C22 H27 0.9800 . ?
C22 H28 0.9800 . ?
C23 H29 0.9800 . ?
C23 H30 0.9800 . ?
C23 H31 0.9800 . ?
C24 H32 0.9800 . ?
C24 H33 0.9800 . ?
C24 H34 0.9800 . ?
C25 H35 0.9800 . ?
C25 H36 0.9800 . ?
C25 H37 0.9800 . ?
C26 H38 0.9800 . ?
C26 H39 0.9800 . ?
C26 H40 0.9800 . ?
C27 H41 0.9800 . ?
C27 H42 0.9800 . ?
C27 H43 0.9800 . ?
C28 H44 0.9800 . ?
C28 H45 0.9800 . ?
C28 H46 0.9800 . ?
C29 H47 0.9800 . ?
C29 H48 0.9800 . ?
C29 H49 0.9800 . ?
C30 H50 0.9800 . ?
C30 H51 0.9800 . ?
C30 H52 0.9800 . ?
C31 H53 0.9800 . ?
C31 H54 0.9800 . ?
C31 H55 0.9800 . ?
C32 H56 0.9800 . ?
C32 H57 0.9800 . ?
C32 H58 0.9800 . ?
C33 H59 0.9800 . ?
C33 H60 0.9800 . ?
C33 H61 0.9800 . ?
C34 C39 1.409(6) . ?
C34 C35 1.421(6) . ?
C35 C36 1.404(6) . ?
C35 C40 1.522(6) . ?
C36 C37 1.391(6) . ?
C36 H62 0.9500 . ?
C37 C38 1.394(6) . ?
C37 C41 1.517(6) . ?
C38 C39 1.394(6) . ?
C38 H63 0.9500 . ?
C39 C42 1.524(6) . ?
C40 Si8 1.886(4) . ?
C40 Si7 1.907(4) . ?
C40 H64 1.0000 . ?
C41 Si9 1.889(5) . ?
C41 Si10 1.898(5) . ?
C41 H65 1.0000 . ?
C42 Si12 1.904(4) . ?
C42 Si11 1.908(4) . ?
C42 H66 1.0000 . ?
Si7 C43 1.862(5) . ?
Si7 C44 1.871(5) . ?
Si7 C45 1.874(5) . ?
Si8 C46 1.865(5) . ?
Si8 C47 1.870(6) . ?
Si8 C48 1.871(5) . ?
Si9 C49 1.858(5) . ?
Si9 C50 1.865(5) . ?
Si9 C51 1.867(5) . ?
Si10 C52 1.857(7) . ?
Si10 C54 1.869(6) . ?
Si10 C53 1.870(5) . ?
Si11 C57 1.860(5) . ?
Si11 C55 1.869(5) . ?
Si11 C56 1.876(5) . ?
Si12 C60 1.869(5) . ?
Si12 C58 1.870(5) . ?
Si12 C59 1.876(5) . ?
C43 H67 0.9800 . ?
C43 H68 0.9800 . ?
C43 H69 0.9800 . ?
C44 H70 0.9800 . ?
C44 H71 0.9800 . ?
C44 H72 0.9800 . ?
C45 H73 0.9800 . ?
C45 H74 0.9800 . ?
C45 H75 0.9800 . ?
C46 H76 0.9800 . ?
C46 H77 0.9800 . ?
C46 H78 0.9800 . ?
C47 H79 0.9800 . ?
C47 H80 0.9800 . ?
C47 H81 0.9800 . ?
C48 H82 0.9800 . ?
C48 H83 0.9800 . ?
C48 H84 0.9800 . ?
C49 H85 0.9800 . ?
C49 H86 0.9800 . ?
C49 H87 0.9800 . ?
C50 H88 0.9800 . ?
C50 H89 0.9800 . ?
C50 H90 0.9800 . ?
C51 H91 0.9800 . ?
C51 H92 0.9800 . ?
C51 H93 0.9800 . ?
C52 H94 0.9800 . ?
C52 H95 0.9800 . ?
C52 H96 0.9800 . ?
C53 H97 0.9800 . ?
C53 H98 0.9800 . ?
C53 H99 0.9800 . ?
C54 H100 0.9800 . ?
C54 H101 0.9800 . ?
C54 H102 0.9800 . ?
C55 H103 0.9800 . ?
C55 H104 0.9800 . ?
C55 H105 0.9800 . ?
C56 H106 0.9800 . ?
C56 H107 0.9800 . ?
C56 H108 0.9800 . ?
C57 H109 0.9800 . ?
C57 H110 0.9800 . ?
C57 H111 0.9800 . ?
C58 H112 0.9800 . ?
C58 H113 0.9800 . ?
C58 H114 0.9800 . ?
C59 H115 0.9800 . ?
C59 H116 0.9800 . ?
C59 H117 0.9800 . ?
C60 H118 0.9800 . ?
C60 H119 0.9800 . ?
C60 H120 0.9800 . ?
C61 C62 1.409(7) . ?
C61 C66 1.410(6) . ?
C62 C63 1.402(6) . ?
C62 C67 1.523(6) . ?
C63 C64 1.375(7) . ?
C63 H121 0.9500 . ?
C64 C65 1.375(7) . ?
C64 H122 0.9500 . ?
C65 C66 1.399(7) . ?
C65 H123 0.9500 . ?
C66 C70 1.518(7) . ?
C67 C69 1.519(7) . ?
C67 C68 1.530(7) . ?
C67 H124 1.0000 . ?
C68 H125 0.9800 . ?
C68 H126 0.9800 . ?
C68 H127 0.9800 . ?
C69 H128 0.9800 . ?
C69 H129 0.9800 . ?
C69 H130 0.9800 . ?
C70 C72 1.531(7) . ?
C70 C71 1.540(7) . ?
C70 H131 1.0000 . ?
C71 H132 0.9800 . ?
C71 H133 0.9800 . ?
C71 H134 0.9800 . ?
C72 H135 0.9800 . ?
C72 H136 0.9800 . ?
C72 H137 0.9800 . ?
C73 C74 1.408(6) . ?
C73 C78 1.415(6) . ?
C74 C75 1.403(6) . ?
C74 C79 1.527(6) . ?
C75 C76 1.380(6) . ?
C75 H138 0.9500 . ?
C76 C77 1.376(7) . ?
C76 H139 0.9500 . ?
C77 C78 1.399(6) . ?
C77 H140 0.9500 . ?
C78 C82 1.524(6) . ?
C79 C81 1.535(6) . ?
C79 C80 1.537(6) . ?
C79 H141 1.0000 . ?
C80 H142 0.9800 . ?
C80 H143 0.9800 . ?
C80 H144 0.9800 . ?
C81 H145 0.9800 . ?
C81 H146 0.9800 . ?
C81 H147 0.9800 . ?
C82 C84 1.532(6) . ?
C82 C83 1.535(6) . ?
C82 H148 1.0000 . ?
C83 H149 0.9800 . ?
C83 H150 0.9800 . ?
C83 H151 0.9800 . ?
C84 H152 0.9800 . ?
C84 H153 0.9800 . ?
C84 H154 0.9800 . ?
C85 C91 1.498(9) . ?
C85 C89 1.526(8) . ?
C85 H155 0.9800 . ?
C85 H156 0.9800 . ?
C85 H157 0.9800 . ?
C85 H158 0.9800 . ?
C85 H159 0.9800 . ?
C85 H160 0.9800 . ?
C86 C90 1.508(9) . ?
C86 C93 1.510(10) . ?
C86 H161 0.9800 . ?
C86 H162 0.9800 . ?
C86 H163 0.9800 . ?
C86 H164 0.9800 . ?
C86 H165 0.9800 . ?
C86 H166 0.9800 . ?
C87 C88 1.487(9) . ?
C87 C93 1.495(10) . ?
C87 C90 1.505(9) . ?
C87 C92 1.523(10) . ?
C87 H167 0.9900 . ?
C87 H168 0.9900 . ?
C87 H169 0.9900 . ?
C87 H170 0.9900 . ?
C88 C89 1.533(9) . ?
C88 H171 0.9900 . ?
C88 H172 0.9900 . ?
C89 H173 0.9900 . ?
C89 H174 0.9900 . ?
C90 H175 0.9900 . ?
C90 H176 0.9900 . ?
C91 C92 1.542(10) . ?
C91 H177 0.9900 . ?
C91 H178 0.9900 . ?
C92 H179 0.9900 . ?
C92 H180 0.9900 . ?
C93 H181 0.9900 . ?
C93 H182 0.9900 . ?
