#------------------------------------------------------------------------------
#$Date: 2018-08-26 20:04:52 +0300 (Sun, 26 Aug 2018) $
#$Revision: 210167 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/02/4300278.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_4300278
loop_
_publ_author_name
'Stanciu, Corneliu'
'Hino, Shirley S.'
'Stender, Matthias'
'Richards, Anne F.'
'Olmstead, Marilyn M.'
'Power, Philip P.'
_publ_section_title
;
 Synthesis and Characterization of Ge(II), Sn(II), and Pb(II)
 Monoamides with -NH2 Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2774
_journal_page_last               2780
_journal_paper_doi               10.1021/ic048362l
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C60 H78 Ge2 N2, 1.5(C7 H8)'
_chemical_formula_sum            'C70.5 H90 Ge2 N2'
_chemical_formula_weight         1110.63
_chemical_name_common            '[(Dipp*GeNH2)2].1.5toluene'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 114.265(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   43.490(5)
_cell_length_b                   16.840(2)
_cell_length_c                   18.469(2)
_cell_measurement_temperature    90(2)
_cell_volume                     12331(3)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.196
_cod_duplicate_entry             4300801
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C70.50 H90 Ge2 N2'
_cod_database_code               4300278
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.032419(8) 0.25804(2) 0.32711(2) 0.02810(11) Uani 1 1 d . . .
Ge2 Ge 0.240133(9) 0.82205(2) 0.44256(2) 0.02592(11) Uani 1 1 d . . .
N1 N 0.0000 0.3347(2) 0.2500 0.0318(10) Uani 1 2 d S . .
H1 H 0.0086 0.3641 0.2213 0.048(12) Uiso 1 1 d R . .
N2 N 0.0000 0.1817(3) 0.2500 0.0401(11) Uani 1 2 d S . .
H2 H 0.0091 0.1474 0.2333 0.032(10) Uiso 1 1 d R . .
N3 N 0.21899(7) 0.74401(17) 0.49257(16) 0.0282(6) Uani 1 1 d . . .
H3A H 0.2102 0.7693 0.5241 0.050(12) Uiso 1 1 calc R . .
H3B H 0.2024 0.7140 0.4549 0.058(13) Uiso 1 1 calc R . .
C1 C 0.06784(8) 0.25775(19) 0.28180(18) 0.0206(7) Uani 1 1 d . . .
C2 C 0.08324(8) 0.32927(19) 0.27457(18) 0.0224(7) Uani 1 1 d . . .
C3 C 0.11092(8) 0.3287(2) 0.2545(2) 0.0285(8) Uani 1 1 d . . .
H3 H 0.1205 0.3776 0.2483 0.034 Uiso 1 1 calc R . .
C4 C 0.12460(8) 0.2579(2) 0.2434(2) 0.0310(8) Uani 1 1 d . . .
H4 H 0.1432 0.2580 0.2290 0.037 Uiso 1 1 calc R . .
C5 C 0.11084(8) 0.1873(2) 0.2536(2) 0.0312(8) Uani 1 1 d . . .
H5 H 0.1205 0.1385 0.2474 0.037 Uiso 1 1 calc R . .
C6 C 0.08299(8) 0.18621(19) 0.27293(19) 0.0241(7) Uani 1 1 d . . .
C7 C 0.07282(8) 0.40930(19) 0.2937(2) 0.0271(8) Uani 1 1 d . . .
C8 C 0.08441(8) 0.4329(2) 0.3737(2) 0.0321(8) Uani 1 1 d . . .
C9 C 0.07656(9) 0.5092(2) 0.3908(3) 0.0426(10) Uani 1 1 d . . .
H9 H 0.0844 0.5259 0.4445 0.051 Uiso 1 1 calc R . .
C10 C 0.05779(10) 0.5602(2) 0.3316(3) 0.0517(12) Uani 1 1 d . . .
H10 H 0.0527 0.6117 0.3445 0.062 Uiso 1 1 calc R . .
C11 C 0.04624(9) 0.5375(2) 0.2536(3) 0.0459(11) Uani 1 1 d . . .
H11 H 0.0332 0.5738 0.2132 0.055 Uiso 1 1 calc R . .
C12 C 0.05331(8) 0.4614(2) 0.2321(2) 0.0341(9) Uani 1 1 d . . .
C13 C 0.10595(9) 0.3779(2) 0.4409(2) 0.0347(8) Uani 1 1 d . . .
H13 H 0.1002 0.3222 0.4212 0.042 Uiso 1 1 calc R . .
C14 C 0.14359(9) 0.3898(3) 0.4618(3) 0.0530(11) Uani 1 1 d . . .
H14A H 0.1477 0.3849 0.4136 0.079 Uiso 1 1 calc R . .
H14B H 0.1567 0.3493 0.5002 0.079 Uiso 1 1 calc R . .
H14C H 0.1505 0.4427 0.4849 0.079 Uiso 1 1 calc R . .
C15 C 0.09930(11) 0.3856(3) 0.5154(2) 0.0518(11) Uani 1 1 d . . .
H15A H 0.0751 0.3803 0.5012 0.078 Uiso 1 1 calc R . .
H15B H 0.1070 0.4377 0.5397 0.078 Uiso 1 1 calc R . .
H15C H 0.1115 0.3438 0.5532 0.078 Uiso 1 1 calc R . .
C16 C 0.04021(9) 0.4366(3) 0.1464(2) 0.0428(10) Uani 1 1 d . . .
H16 H 0.0411 0.3773 0.1451 0.051 Uiso 1 1 calc R . .
C17 C 0.06203(10) 0.4689(3) 0.1050(3) 0.0519(12) Uani 1 1 d . . .
H17A H 0.0853 0.4505 0.1334 0.078 Uiso 1 1 calc R . .
H17B H 0.0616 0.5271 0.1050 0.078 Uiso 1 1 calc R . .
H17C H 0.0531 0.4496 0.0501 0.078 Uiso 1 1 calc R . .
C18 C 0.00309(9) 0.4617(3) 0.0970(3) 0.0578(13) Uani 1 1 d . . .
H18A H -0.0106 0.4483 0.1263 0.087 Uiso 1 1 calc R . .
H18B H -0.0057 0.4336 0.0461 0.087 Uiso 1 1 calc R . .
H18C H 0.0021 0.5191 0.0875 0.087 Uiso 1 1 calc R . .
C19 C 0.07179(8) 0.1056(2) 0.2891(2) 0.0315(8) Uani 1 1 d . . .
C20 C 0.05283(9) 0.0555(2) 0.2248(3) 0.0436(10) Uani 1 1 d . . .
C21 C 0.04482(10) -0.0212(2) 0.2430(4) 0.0602(14) Uani 1 1 d . . .
H21 H 0.0323 -0.0566 0.2011 0.072 Uiso 1 1 calc R . .
C22 C 0.05500(11) -0.0453(3) 0.3206(4) 0.0663(16) Uani 1 1 d . . .
H22 H 0.0494 -0.0971 0.3316 0.080 Uiso 1 1 calc R . .
C23 C 0.07311(10) 0.0041(2) 0.3825(3) 0.0531(12) Uani 1 1 d . . .
H23 H 0.0796 -0.0137 0.4355 0.064 Uiso 1 1 calc R . .
C24 C 0.08217(9) 0.0806(2) 0.3683(2) 0.0363(9) Uani 1 1 d . . .
C25 C 0.10341(9) 0.1324(2) 0.4379(2) 0.0378(9) Uani 1 1 d . . .
H25 H 0.1010 0.1881 0.4176 0.045 Uiso 1 1 calc R . .
C26 C 0.14070(10) 0.1114(3) 0.4690(3) 0.0624(14) Uani 1 1 d . . .
H26A H 0.1485 0.1185 0.4265 0.094 Uiso 1 1 calc R . .
H26B H 0.1440 0.0560 0.4867 0.094 Uiso 1 1 calc R . .
H26C H 0.1537 0.1462 0.5137 0.094 Uiso 1 1 calc R . .
C27 C 0.09173(12) 0.1323(4) 0.5057(3) 0.0755(17) Uani 1 1 d . . .
H27A H 0.0674 0.1420 0.4841 0.113 Uiso 1 1 calc R . .
H27B H 0.1036 0.1741 0.5438 0.113 Uiso 1 1 calc R . .
H27C H 0.0968 0.0806 0.5324 0.113 Uiso 1 1 calc R . .
C28 C 0.04082(9) 0.0824(3) 0.1393(3) 0.0502(12) Uani 1 1 d . . .
H28 H 0.0431 0.1415 0.1395 0.060 Uiso 1 1 calc R . .
C29 C 0.06266(11) 0.0476(3) 0.0995(3) 0.0663(15) Uani 1 1 d . . .
H29A H 0.0862 0.0638 0.1292 0.099 Uiso 1 1 calc R . .
H29B H 0.0546 0.0672 0.0448 0.099 Uiso 1 1 calc R . .
H29C H 0.0612 -0.0105 0.0990 0.099 Uiso 1 1 calc R . .
C30 C 0.00352(10) 0.0618(3) 0.0887(3) 0.0724(17) Uani 1 1 d . . .
H30A H -0.0104 0.0813 0.1153 0.109 Uiso 1 1 calc R . .
H30B H 0.0010 0.0041 0.0821 0.109 Uiso 1 1 calc R . .
H30C H -0.0038 0.0870 0.0364 0.109 Uiso 1 1 calc R . .
C31 C 0.22804(8) 0.77282(18) 0.33287(19) 0.0223(7) Uani 1 1 d . . .
C32 C 0.25141(8) 0.77516(18) 0.29776(19) 0.0229(7) Uani 1 1 d . . .
C33 C 0.24141(8) 0.75832(19) 0.2170(2) 0.0271(7) Uani 1 1 d . . .
H33 H 0.2576 0.7597 0.1949 0.033 Uiso 1 1 calc R . .
C34 C 0.20815(9) 0.7396(2) 0.1688(2) 0.0310(8) Uani 1 1 d . . .
H34A H 0.2015 0.7279 0.1142 0.037 Uiso 1 1 calc R . .
C35 C 0.18478(9) 0.73828(19) 0.2020(2) 0.0282(8) Uani 1 1 d . . .
H35 H 0.1619 0.7259 0.1693 0.034 Uiso 1 1 calc R . .
C36 C 0.19407(8) 0.75473(18) 0.28198(19) 0.0225(7) Uani 1 1 d . . .
C37 C 0.28774(8) 0.79755(19) 0.34419(19) 0.0235(7) Uani 1 1 d . . .
C38 C 0.31250(8) 0.7377(2) 0.3731(2) 0.0254(7) Uani 1 1 d . . .
C39 C 0.34605(9) 0.7602(2) 0.4137(2) 0.0294(8) Uani 1 1 d . . .
H39 H 0.3630 0.7204 0.4342 0.035 Uiso 1 1 calc R . .
C40 C 0.35513(9) 0.8391(2) 0.4248(2) 0.0332(8) Uani 1 1 d . . .
H40 H 0.3782 0.8533 0.4524 0.040 Uiso 1 1 calc R . .
C41 C 0.33105(8) 0.8976(2) 0.3962(2) 0.0316(8) Uani 1 1 d . . .
H41 H 0.3377 0.9518 0.4045 0.038 Uiso 1 1 calc R . .
C42 C 0.29688(8) 0.8784(2) 0.3548(2) 0.0277(7) Uani 1 1 d . . .
C43 C 0.30289(9) 0.6501(2) 0.3584(2) 0.0289(8) Uani 1 1 d . . .
H43 H 0.2781 0.6457 0.3432 0.035 Uiso 1 1 calc R . .
C44 C 0.31013(10) 0.6184(2) 0.2888(2) 0.0405(9) Uani 1 1 d . . .
H44A H 0.2984 0.6515 0.2418 0.061 Uiso 1 1 calc R . .
H44B H 0.3021 0.5635 0.2772 0.061 Uiso 1 1 calc R . .
H44C H 0.3345 0.6200 0.3032 0.061 Uiso 1 1 calc R . .
C45 C 0.32086(10) 0.5972(2) 0.4311(2) 0.0446(10) Uani 1 1 d . . .
H45A H 0.3167 0.6175 0.4760 0.067 Uiso 1 1 calc R . .
H45B H 0.3452 0.5975 0.4450 0.067 Uiso 1 1 calc R . .
H45C H 0.3123 0.5428 0.4190 0.067 Uiso 1 1 calc R . .
C46 C 0.27085(9) 0.9440(2) 0.3185(2) 0.0331(8) Uani 1 1 d . . .
H46 H 0.2483 0.9219 0.3102 0.040 Uiso 1 1 calc R . .
C47 C 0.26936(11) 0.9670(3) 0.2361(3) 0.0532(11) Uani 1 1 d . . .
H47A H 0.2519 1.0074 0.2119 0.080 Uiso 1 1 calc R . .
H47B H 0.2640 0.9199 0.2020 0.080 Uiso 1 1 calc R . .
H47C H 0.2913 0.9883 0.2422 0.080 Uiso 1 1 calc R . .
C48 C 0.27694(11) 1.0172(2) 0.3710(3) 0.0536(12) Uani 1 1 d . . .
H48A H 0.2794 1.0012 0.4241 0.080 Uiso 1 1 calc R . .
H48B H 0.2578 1.0536 0.3478 0.080 Uiso 1 1 calc R . .
H48C H 0.2976 1.0440 0.3750 0.080 Uiso 1 1 calc R . .
C49 C 0.16719(7) 0.75540(19) 0.31309(19) 0.0232(7) Uani 1 1 d . . .
C50 C 0.15383(8) 0.8282(2) 0.32406(19) 0.0263(7) Uani 1 1 d . . .
C51 C 0.12988(8) 0.8271(2) 0.3562(2) 0.0341(8) Uani 1 1 d . . .
H51 H 0.1208 0.8758 0.3648 0.041 Uiso 1 1 calc R . .
C52 C 0.11909(9) 0.7562(2) 0.3758(2) 0.0397(9) Uani 1 1 d . . .
H52A H 0.1031 0.7567 0.3986 0.048 Uiso 1 1 calc R . .
C53 C 0.13144(9) 0.6848(2) 0.3624(2) 0.0355(9) Uani 1 1 d . . .
H53 H 0.1235 0.6365 0.3750 0.043 Uiso 1 1 calc R . .
C54 C 0.15550(8) 0.6827(2) 0.33069(19) 0.0269(7) Uani 1 1 d . . .
C55 C 0.16325(9) 0.9059(2) 0.2962(2) 0.0311(8) Uani 1 1 d . . .
H55 H 0.1866 0.9001 0.2988 0.037 Uiso 1 1 calc R . .
C56 C 0.13929(11) 0.9198(3) 0.2096(2) 0.0519(11) Uani 1 1 d . . .
H56A H 0.1408 0.8751 0.1772 0.078 Uiso 1 1 calc R . .
H56B H 0.1455 0.9690 0.1907 0.078 Uiso 1 1 calc R . .
H56C H 0.1161 0.9242 0.2053 0.078 Uiso 1 1 calc R . .
C57 C 0.16306(11) 0.9775(2) 0.3464(3) 0.0467(10) Uani 1 1 d . . .
H57A H 0.1775 0.9667 0.4023 0.070 Uiso 1 1 calc R . .
H57B H 0.1400 0.9877 0.3406 0.070 Uiso 1 1 calc R . .
H57C H 0.1716 1.0241 0.3287 0.070 Uiso 1 1 calc R . .
C58 C 0.16809(9) 0.6030(2) 0.3157(2) 0.0334(8) Uani 1 1 d . . .
H58 H 0.1863 0.6132 0.2972 0.040 Uiso 1 1 calc R . .
C59 C 0.18290(13) 0.5518(3) 0.3902(3) 0.0636(14) Uani 1 1 d . . .
H59A H 0.2038 0.5761 0.4281 0.095 Uiso 1 1 calc R . .
H59B H 0.1878 0.4987 0.3761 0.095 Uiso 1 1 calc R . .
H59C H 0.1667 0.5478 0.4143 0.095 Uiso 1 1 calc R . .
C60 C 0.14007(10) 0.5584(2) 0.2504(2) 0.0464(10) Uani 1 1 d . . .
H60A H 0.1311 0.5911 0.2023 0.070 Uiso 1 1 calc R . .
H60B H 0.1220 0.5465 0.2676 0.070 Uiso 1 1 calc R . .
H60C H 0.1490 0.5087 0.2392 0.070 Uiso 1 1 calc R . .
C61 C 0.2400(3) 0.8243(5) -0.0035(6) 0.126(3) Uani 1 1 d . . .
H61A H 0.2313 0.8786 -0.0080 0.151 Uiso 0.50 1 d P . .
C62 C 0.2737(3) 0.8085(8) 0.0457(7) 0.156(5) Uani 1 1 d . . .
H62 H 0.2891 0.8486 0.0754 0.188 Uiso 1 1 calc R . .
C63 C 0.2332(3) 0.8963(7) 0.0034(7) 0.077(3) Uani 0.50 1 d P . .
H63A H 0.2541 0.9275 0.0227 0.116 Uiso 0.50 1 calc PR . .
H63B H 0.2228 0.9004 0.0412 0.116 Uiso 0.50 1 calc PR . .
H63C H 0.2176 0.9166 -0.0484 0.116 Uiso 0.50 1 calc PR . .
C64 C 0.2177(2) 0.7658(6) -0.0474(5) 0.128(4) Uani 1 1 d . . .
H64 H 0.1951 0.7806 -0.0803 0.154 Uiso 1 1 calc R . .
C65 C 0.02715(17) 0.7447(4) 0.1124(4) 0.0397(18) Uiso 0.622(9) 1 d PD A 1
C66 C 0.0131(3) 0.7337(5) 0.0328(5) 0.055(2) Uiso 0.622(9) 1 d PD A 1
H66 H 0.0269 0.7243 0.0050 0.065 Uiso 0.622(9) 1 calc PR A 1
C67 C -0.0230(3) 0.7364(6) -0.0092(6) 0.083(3) Uiso 0.622(9) 1 d PD A 1
H67 H -0.0335 0.7296 -0.0652 0.099 Uiso 0.622(9) 1 calc PR A 1
C68 C -0.0432(3) 0.7498(6) 0.0360(7) 0.076(3) Uiso 0.622(9) 1 d PD A 1
H68 H -0.0671 0.7526 0.0109 0.091 Uiso 0.622(9) 1 calc PR A 1
C69 C -0.0273(3) 0.7574(5) 0.1101(6) 0.071(3) Uiso 0.622(9) 1 d PD A 1
H69 H -0.0403 0.7663 0.1399 0.085 Uiso 0.622(9) 1 calc PR A 1
C70 C 0.0067(3) 0.7540(5) 0.1513(6) 0.051(2) Uiso 0.622(9) 1 d PD A 1
H70 H 0.0163 0.7582 0.2076 0.061 Uiso 0.622(9) 1 calc PR A 1
C71 C 0.0640(2) 0.7417(6) 0.1545(6) 0.073(3) Uiso 0.622(9) 1 d PD A 1
H71A H 0.0705 0.7499 0.2114 0.110 Uiso 0.622(9) 1 calc PR A 1
H71B H 0.0740 0.7835 0.1342 0.110 Uiso 0.622(9) 1 calc PR A 1
H71C H 0.0722 0.6898 0.1461 0.110 Uiso 0.622(9) 1 calc PR A 1
C65B C -0.0182(4) 0.7494(9) 0.0516(8) 0.072(4) Uiso 0.378(9) 1 d PD A 2
C66B C 0.0024(4) 0.7475(11) 0.0129(10) 0.075(6) Uiso 0.378(9) 1 d PD A 2
H66B H -0.0059 0.7465 -0.0433 0.090 Uiso 0.378(9) 1 calc PR A 2
C67B C 0.0378(4) 0.7473(10) 0.0636(10) 0.096(6) Uiso 0.378(9) 1 d PD A 2
H67B H 0.0538 0.7428 0.0409 0.115 Uiso 0.378(9) 1 calc PR A 2
C68B C 0.0495(5) 0.7538(11) 0.1493(10) 0.081(5) Uiso 0.378(9) 1 d PD A 2
H68B H 0.0729 0.7575 0.1826 0.097 Uiso 0.378(9) 1 calc PR A 2
C69B C 0.0279(4) 0.7544(8) 0.1782(9) 0.071(4) Uiso 0.378(9) 1 d PD A 2
H69B H 0.0355 0.7530 0.2343 0.085 Uiso 0.378(9) 1 calc PR A 2
C70B C -0.0063(4) 0.7572(9) 0.1319(7) 0.055(4) Uiso 0.378(9) 1 d PD A 2
H70B H -0.0216 0.7645 0.1562 0.066 Uiso 0.378(9) 1 calc PR A 2
C71B C -0.0527(4) 0.7473(12) -0.0042(12) 0.103(7) Uiso 0.378(9) 1 d PD A 2
H71D H -0.0538 0.7405 -0.0579 0.154 Uiso 0.378(9) 1 calc PR A 2
H71E H -0.0638 0.7971 -0.0013 0.154 Uiso 0.378(9) 1 calc PR A 2
H71F H -0.0642 0.7027 0.0085 0.154 Uiso 0.378(9) 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 N2 2.005(3) . ?
Ge1 N1 2.009(3) . ?
Ge1 C1 2.033(3) . ?
Ge2 N3 2.020(3) 7_566 ?
Ge2 N3 2.031(3) . ?
Ge2 C31 2.047(3) . ?
N1 Ge1 2.009(3) 2 ?
N1 H1 0.9102 . ?
N2 Ge1 2.005(3) 2 ?
N2 H2 0.8283 . ?
N3 Ge2 2.020(3) 7_566 ?
N3 H3A 0.9200 . ?
N3 H3B 0.9200 . ?
C1 C2 1.411(4) . ?
C1 C6 1.415(4) . ?
C2 C3 1.398(4) . ?
C2 C7 1.509(5) . ?
C3 C4 1.385(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(5) . ?
C5 H5 0.9500 . ?
C6 C19 1.512(5) . ?
C7 C8 1.408(5) . ?
C7 C12 1.410(5) . ?
C8 C9 1.398(5) . ?
C8 C13 1.524(5) . ?
C9 C10 1.366(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.369(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.413(5) . ?
C11 H11 0.9500 . ?
C12 C16 1.504(6) . ?
C13 C15 1.524(5) . ?
C13 C14 1.533(5) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.543(5) . ?
C16 C18 1.552(5) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C24 1.407(5) . ?
C19 C20 1.413(5) . ?
C20 C21 1.414(6) . ?
C20 C28 1.514(6) . ?
C21 C22 1.377(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.370(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.403(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.513(6) . ?
C25 C26 1.523(5) . ?
C25 C27 1.532(6) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.537(6) . ?
C28 C30 1.543(5) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.413(4) . ?
C31 C36 1.420(4) . ?
C32 C33 1.400(5) . ?
C32 C37 1.503(4) . ?
C33 C34 1.388(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.385(5) . ?
C34 H34A 0.9500 . ?
C35 C36 1.390(5) . ?
C35 H35 0.9500 . ?
C36 C49 1.500(4) . ?
C37 C42 1.409(5) . ?
C37 C38 1.410(5) . ?
C38 C39 1.391(5) . ?
C38 C43 1.527(5) . ?
C39 C40 1.379(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.375(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.401(5) . ?
C41 H41 0.9500 . ?
C42 C46 1.526(5) . ?
C43 C45 1.531(5) . ?
C43 C44 1.539(5) . ?
C43 H43 1.0000 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C48 1.523(5) . ?
C46 C47 1.545(5) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.406(5) . ?
C49 C54 1.413(4) . ?
C50 C51 1.395(5) . ?
C50 C55 1.523(5) . ?
C51 C52 1.385(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.380(5) . ?
C52 H52A 0.9500 . ?
C53 C54 1.394(5) . ?
C53 H53 0.9500 . ?
C54 C58 1.518(5) . ?
C55 C57 1.523(5) . ?
C55 C56 1.526(5) . ?
C55 H55 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C60 1.515(5) . ?
C58 C59 1.524(5) . ?
C58 H58 1.0000 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C63 1.266(13) . ?
C61 C64 1.386(10) . ?
C61 C62 1.398(14) . ?
C61 H61A 0.9805 . ?
C62 C64 1.303(13) 7_565 ?
C62 H62 0.9500 . ?
C63 H61A 0.3539 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 C62 1.303(13) 7_565 ?
C64 H64 0.9500 . ?
C65 C66 1.353(10) . ?
C65 C70 1.364(9) . ?
C65 C71 1.468(11) . ?
C66 C67 1.439(14) . ?
C66 H66 0.9500 . ?
C67 C68 1.455(13) . ?
C67 H67 0.9500 . ?
C68 C69 1.261(13) . ?
C68 H68 0.9500 . ?
C69 C70 1.356(13) . ?
C69 H69 0.9500 . ?
C70 H70 0.9500 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C65B C66B 1.359(16) . ?
C65B C70B 1.362(14) . ?
C65B C71B 1.428(17) . ?
C66B C67B 1.44(2) . ?
C66B H66B 0.9500 . ?
C67B C68B 1.453(17) . ?
C67B H67B 0.9500 . ?
C68B C69B 1.256(16) . ?
C68B H68B 0.9500 . ?
C69B C70B 1.380(18) . ?
C69B H69B 0.9500 . ?
C70B H70B 0.9500 . ?
C71B H71D 0.9800 . ?
C71B H71E 0.9800 . ?
C71B H71F 0.9800 . ?
