#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:06:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179231 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/51/4315158.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_4315158
loop_
_publ_author_name
'Fuyan Han'
'Jie Zhang'
'Weiyin Yi'
'Zhengxing Zhang'
'Jingyi Yu'
'Linhong Weng'
'Xigeng Zhou'
_publ_section_title
;
 γ-Deprotonation of Anionic Bis(trimethylsilyl)amidolanthanide Complexes
 with a Countered [(TpMe2)2Ln]+ Cation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2793
_journal_page_last               2798
_journal_paper_doi               10.1021/ic902296d
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C48 H97 B2 Er2 N15 Si6'
_chemical_formula_weight         1409.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.049(17)
_cell_angle_beta                 95.770(16)
_cell_angle_gamma                102.479(16)
_cell_formula_units_Z            2
_cell_length_a                   13.284(16)
_cell_length_b                   14.543(17)
_cell_length_c                   19.62(2)
_cell_measurement_reflns_used    783
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.348
_cell_measurement_theta_min      2.764
_cell_volume                     3671(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1447
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12654
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    2.407
_exptl_absorpt_correction_T_max  0.8690
_exptl_absorpt_correction_T_min  0.7611
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.283
_refine_diff_density_min         -1.907
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     667
_refine_ls_number_reflns         12654
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1328
_refine_ls_R_factor_gt           0.0777
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0988P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1997
_refine_ls_wR_factor_ref         0.2154
_reflns_number_gt                6149
_reflns_number_total             12654
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902296d_si_001_1.cif
_cod_data_source_block           f81103a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4315158
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Er1 Er 0.5000 0.0000 0.5000 0.0515(3) Uani 1 2 d S . .
Er3 Er 0.5000 1.0000 0.0000 0.0567(3) Uani 1 2 d S . .
Er2 Er 0.08177(5) 0.42318(4) 0.26583(3) 0.0535(2) Uani 1 1 d . . .
B1 B 0.7574(10) 0.0016(11) 0.4976(7) 0.042(4) Uani 1 1 d D . .
H1B H 0.839(3) -0.002(7) 0.509(5) 0.050 Uiso 1 1 d D . .
B2 B 0.6486(12) 0.9240(11) 0.1261(8) 0.050(4) Uani 1 1 d D . .
H2B H 0.688(7) 0.900(7) 0.172(3) 0.060 Uiso 1 1 d D . .
N1 N 0.5831(8) -0.1150(7) 0.4590(5) 0.052(3) Uani 1 1 d . . .
N2 N 0.6883(8) -0.0894(7) 0.4553(5) 0.047(3) Uani 1 1 d . . .
N3 N 0.6338(7) 0.1042(7) 0.4523(6) 0.053(3) Uani 1 1 d . . .
N4 N 0.7348(7) 0.0898(7) 0.4669(5) 0.041(3) Uani 1 1 d . . .
N5 N 0.6356(7) 0.0157(8) 0.5932(7) 0.062(3) Uani 1 1 d . . .
N6 N 0.7297(7) 0.0005(7) 0.5717(5) 0.041(2) Uani 1 1 d . . .
N7 N 0.6644(9) 0.9716(8) 0.0037(6) 0.066(3) Uani 1 1 d . . .
N8 N 0.7101(8) 0.9392(7) 0.0631(5) 0.045(3) Uani 1 1 d . . .
N9 N 0.5640(9) 1.0669(8) 0.1120(6) 0.064(3) Uani 1 1 d . . .
N10 N 0.6272(8) 1.0211(7) 0.1532(5) 0.049(3) Uani 1 1 d . . .
N11 N 0.4712(8) 0.8607(8) 0.0569(6) 0.056(3) Uani 1 1 d . . .
N12 N 0.5445(8) 0.8522(7) 0.1100(5) 0.053(3) Uani 1 1 d . . .
N13 N 0.0819(7) 0.3434(7) 0.1691(5) 0.047(3) Uani 1 1 d . . .
N14 N -0.0037(8) 0.5435(7) 0.2586(5) 0.053(3) Uani 1 1 d . . .
N15 N 0.2255(8) 0.4388(7) 0.3409(6) 0.058(3) Uani 1 1 d . . .
Si1 Si 0.0175(3) 0.2344(3) 0.18837(19) 0.0525(10) Uani 1 1 d . . .
Si2 Si 0.1238(4) 0.3711(3) 0.0895(2) 0.0788(14) Uani 1 1 d . . .
Si3 Si -0.1319(4) 0.5212(4) 0.2339(3) 0.0858(15) Uani 1 1 d . . .
Si4 Si 0.0717(4) 0.6590(3) 0.2692(3) 0.0786(14) Uani 1 1 d . . .
Si5 Si 0.1931(4) 0.4378(3) 0.4231(2) 0.0716(13) Uani 1 1 d . . .
Si6 Si 0.3436(4) 0.4218(3) 0.3216(3) 0.0839(15) Uani 1 1 d . . .
C1 C 0.4434(11) -0.2441(11) 0.4028(8) 0.085(5) Uani 1 1 d . . .
H1A H 0.4010 -0.2124 0.4282 0.127 Uiso 1 1 calc R . .
H1C H 0.4338 -0.3084 0.4146 0.127 Uiso 1 1 calc R . .
H1D H 0.4239 -0.2430 0.3545 0.127 Uiso 1 1 calc R . .
C2 C 0.5488(11) -0.1978(10) 0.4193(8) 0.068(4) Uani 1 1 d . . .
C3 C 0.6357(10) -0.2208(10) 0.3906(7) 0.062(4) Uani 1 1 d . . .
H3 H 0.6347 -0.2725 0.3604 0.075 Uiso 1 1 calc R . .
C4 C 0.7207(10) -0.1522(10) 0.4162(7) 0.054(4) Uani 1 1 d . . .
C5 C 0.8317(11) -0.1439(10) 0.4034(8) 0.073(4) Uani 1 1 d . . .
H5A H 0.8740 -0.0877 0.4280 0.109 Uiso 1 1 calc R . .
H5B H 0.8370 -0.1407 0.3551 0.109 Uiso 1 1 calc R . .
H5C H 0.8551 -0.1981 0.4189 0.109 Uiso 1 1 calc R . .
C6 C 0.5437(14) 0.2221(12) 0.3999(8) 0.099(6) Uani 1 1 d . . .
H6A H 0.4839 0.1755 0.4082 0.149 Uiso 1 1 calc R . .
H6B H 0.5397 0.2328 0.3519 0.149 Uiso 1 1 calc R . .
H6C H 0.5458 0.2800 0.4264 0.149 Uiso 1 1 calc R . .
C7 C 0.6442(13) 0.1861(11) 0.4213(7) 0.064(4) Uani 1 1 d . . .
C8 C 0.7463(12) 0.2264(10) 0.4198(7) 0.062(4) Uani 1 1 d . . .
H8A H 0.7728 0.2846 0.4034 0.074 Uiso 1 1 calc R . .
C9 C 0.8022(10) 0.1668(9) 0.4463(6) 0.043(3) Uani 1 1 d . . .
C10 C 0.9149(10) 0.1724(10) 0.4525(7) 0.072(5) Uani 1 1 d . . .
H10A H 0.9492 0.2302 0.4355 0.109 Uiso 1 1 calc R . .
H10B H 0.9284 0.1198 0.4261 0.109 Uiso 1 1 calc R . .
H10C H 0.9404 0.1708 0.4998 0.109 Uiso 1 1 calc R . .
C11 C 0.5488(12) 0.0285(13) 0.6960(9) 0.096(6) Uani 1 1 d . . .
H11A H 0.5641 0.0278 0.7448 0.143 Uiso 1 1 calc R . .
H11B H 0.4905 -0.0220 0.6796 0.143 Uiso 1 1 calc R . .
H11C H 0.5326 0.0878 0.6855 0.143 Uiso 1 1 calc R . .
C12 C 0.6411(11) 0.0161(10) 0.6617(6) 0.054(4) Uani 1 1 d . . .
C13 C 0.7357(10) 0.0062(11) 0.6879(6) 0.063(4) Uani 1 1 d . . .
H13A H 0.7593 0.0059 0.7342 0.075 Uiso 1 1 calc R . .
C14 C 0.7945(11) -0.0039(9) 0.6289(8) 0.064(4) Uani 1 1 d . . .
C15 C 0.9022(9) -0.0175(12) 0.6331(7) 0.081(5) Uani 1 1 d . . .
H15A H 0.9224 -0.0222 0.5877 0.121 Uiso 1 1 calc R . .
H15B H 0.9059 -0.0744 0.6549 0.121 Uiso 1 1 calc R . .
H15C H 0.9480 0.0353 0.6595 0.121 Uiso 1 1 calc R . .
C16 C 0.7231(15) 1.0093(14) -0.1099(8) 0.119(8) Uani 1 1 d . . .
H16A H 0.6564 1.0250 -0.1165 0.178 Uiso 1 1 calc R . .
H16B H 0.7252 0.9583 -0.1425 0.178 Uiso 1 1 calc R . .
H16C H 0.7762 1.0634 -0.1163 0.178 Uiso 1 1 calc R . .
C17 C 0.7416(13) 0.9790(11) -0.0366(8) 0.070(4) Uani 1 1 d . . .
C18 C 0.8263(12) 0.9517(11) -0.0081(8) 0.069(4) Uani 1 1 d . . .
H18A H 0.8860 0.9504 -0.0288 0.083 Uiso 1 1 calc R . .
C19 C 0.8089(11) 0.9264(10) 0.0565(9) 0.070(5) Uani 1 1 d . . .
C20 C 0.8734(12) 0.8918(12) 0.1085(8) 0.083(5) Uani 1 1 d . . .
H20A H 0.9385 0.8894 0.0920 0.125 Uiso 1 1 calc R . .
H20B H 0.8390 0.8296 0.1183 0.125 Uiso 1 1 calc R . .
H20C H 0.8854 0.9334 0.1495 0.125 Uiso 1 1 calc R . .
C21 C 0.5013(15) 1.2147(12) 0.1197(9) 0.112(7) Uani 1 1 d . . .
H21A H 0.5095 1.2699 0.1507 0.168 Uiso 1 1 calc R . .
H21B H 0.4296 1.1824 0.1128 0.168 Uiso 1 1 calc R . .
H21C H 0.5240 1.2331 0.0765 0.168 Uiso 1 1 calc R . .
C22 C 0.5670(13) 1.1485(10) 0.1506(8) 0.069(5) Uani 1 1 d . . .
C23 C 0.6264(11) 1.1531(10) 0.2127(7) 0.063(4) Uani 1 1 d . . .
H23A H 0.6373 1.2008 0.2479 0.075 Uiso 1 1 calc R . .
C24 C 0.6664(10) 1.0737(10) 0.2128(6) 0.052(4) Uani 1 1 d . . .
C25 C 0.7389(12) 1.0444(11) 0.2647(7) 0.085(5) Uani 1 1 d . . .
H25A H 0.7512 0.9844 0.2493 0.127 Uiso 1 1 calc R . .
H25B H 0.7093 1.0389 0.3074 0.127 Uiso 1 1 calc R . .
H25C H 0.8033 1.0907 0.2712 0.127 Uiso 1 1 calc R . .
C26 C 0.2949(13) 0.7704(13) 0.0065(9) 0.112(7) Uani 1 1 d . . .
H26A H 0.3007 0.8198 -0.0244 0.168 Uiso 1 1 calc R . .
H26B H 0.2342 0.7682 0.0297 0.168 Uiso 1 1 calc R . .
H26C H 0.2892 0.7109 -0.0190 0.168 Uiso 1 1 calc R . .
C27 C 0.3902(13) 0.7897(11) 0.0588(8) 0.075(5) Uani 1 1 d . . .
C28 C 0.4131(14) 0.7358(12) 0.1113(10) 0.103(6) Uani 1 1 d . . .
H28A H 0.3693 0.6814 0.1231 0.124 Uiso 1 1 calc R . .
C29 C 0.5103(13) 0.7750(12) 0.1436(8) 0.079(5) Uani 1 1 d . . .
C30 C 0.5716(15) 0.7450(12) 0.1995(10) 0.130(8) Uani 1 1 d . . .
H30A H 0.6368 0.7898 0.2097 0.196 Uiso 1 1 calc R . .
H30B H 0.5838 0.6841 0.1867 0.196 Uiso 1 1 calc R . .
H30C H 0.5350 0.7412 0.2394 0.196 Uiso 1 1 calc R . .
C31 C -0.0106(11) 0.2627(10) 0.2794(6) 0.064(4) Uani 1 1 d . . .
H31A H 0.0232 0.2311 0.3143 0.077 Uiso 1 1 calc R . .
H31B H -0.0836 0.2563 0.2844 0.077 Uiso 1 1 calc R . .
C32 C 0.0855(12) 0.1379(10) 0.1835(7) 0.077(5) Uani 1 1 d . . .
H32A H 0.0427 0.0855 0.1550 0.115 Uiso 1 1 calc R . .
H32B H 0.1002 0.1186 0.2288 0.115 Uiso 1 1 calc R . .
H32C H 0.1494 0.1590 0.1642 0.115 Uiso 1 1 calc R . .
C33 C -0.1058(12) 0.1846(11) 0.1297(7) 0.091(5) Uani 1 1 d . . .
H33A H -0.1058 0.1216 0.1125 0.136 Uiso 1 1 calc R . .
H33B H -0.1100 0.2236 0.0920 0.136 Uiso 1 1 calc R . .
H33C H -0.1644 0.1833 0.1548 0.136 Uiso 1 1 calc R . .
C34 C 0.023(2) 0.324(2) 0.0162(10) 0.222(16) Uani 1 1 d U . .
H34A H 0.0019 0.2571 0.0166 0.332 Uiso 1 1 calc R . .
H34B H 0.0514 0.3399 -0.0260 0.332 Uiso 1 1 calc R . .
H34C H -0.0353 0.3523 0.0200 0.332 Uiso 1 1 calc R . .
C35 C 0.2405(17) 0.3185(14) 0.0727(11) 0.141(9) Uani 1 1 d U . .
H35A H 0.2954 0.3401 0.1095 0.211 Uiso 1 1 calc R . .
H35B H 0.2643 0.3382 0.0301 0.211 Uiso 1 1 calc R . .
H35C H 0.2201 0.2508 0.0702 0.211 Uiso 1 1 calc R . .
C36 C 0.1736(14) 0.4998(11) 0.0873(8) 0.097(6) Uani 1 1 d U . .
H36A H 0.2300 0.5214 0.1231 0.146 Uiso 1 1 calc R . .
H36B H 0.1190 0.5320 0.0941 0.146 Uiso 1 1 calc R . .
H36C H 0.1977 0.5129 0.0436 0.146 Uiso 1 1 calc R . .
C37 C -0.1984(17) 0.4151(19) 0.2728(16) 0.219(15) Uani 1 1 d U . .
H37A H -0.1619 0.3655 0.2668 0.329 Uiso 1 1 calc R . .
H37B H -0.2682 0.3947 0.2508 0.329 Uiso 1 1 calc R . .
H37C H -0.1996 0.4299 0.3209 0.329 Uiso 1 1 calc R . .
C38 C -0.182(2) 0.473(3) 0.1581(17) 0.35(3) Uani 1 1 d U . .
H38A H -0.1594 0.5154 0.1241 0.525 Uiso 1 1 calc R . .
H38B H -0.2564 0.4600 0.1557 0.525 Uiso 1 1 calc R . .
H38C H -0.1600 0.4152 0.1499 0.525 Uiso 1 1 calc R . .
C39 C -0.1969(18) 0.6162(17) 0.249(2) 0.27(2) Uani 1 1 d U . .
H39A H -0.1607 0.6720 0.2301 0.410 Uiso 1 1 calc R . .
H39B H -0.1977 0.6285 0.2971 0.410 Uiso 1 1 calc R . .
H39C H -0.2669 0.5985 0.2266 0.410 Uiso 1 1 calc R . .
C40 C 0.0604(15) 0.7394(14) 0.2000(10) 0.128(8) Uani 1 1 d . . .
H40A H 0.0656 0.7080 0.1567 0.191 Uiso 1 1 calc R . .
H40B H 0.1151 0.7952 0.2089 0.191 Uiso 1 1 calc R . .
H40C H -0.0055 0.7567 0.1987 0.191 Uiso 1 1 calc R . .
C41 C 0.0693(16) 0.7184(12) 0.3562(10) 0.120(8) Uani 1 1 d . . .
H41A H -0.0004 0.7232 0.3619 0.180 Uiso 1 1 calc R . .
H41B H 0.1136 0.7805 0.3601 0.180 Uiso 1 1 calc R . .
H41C H 0.0934 0.6819 0.3912 0.180 Uiso 1 1 calc R . .
C42 C 0.2129(11) 0.6578(11) 0.2689(7) 0.087(6) Uani 1 1 d . . .
H42A H 0.2236 0.6305 0.2253 0.130 Uiso 1 1 calc R . .
H42B H 0.2334 0.6210 0.3048 0.130 Uiso 1 1 calc R . .
H42C H 0.2537 0.7213 0.2763 0.130 Uiso 1 1 calc R . .
C43 C 0.2623(14) 0.5402(12) 0.4853(10) 0.127(8) Uani 1 1 d . . .
H43A H 0.2851 0.5169 0.5277 0.190 Uiso 1 1 calc R . .
H43B H 0.2158 0.5806 0.4938 0.190 Uiso 1 1 calc R . .
H43C H 0.3212 0.5753 0.4662 0.190 Uiso 1 1 calc R . .
C44 C 0.0504(13) 0.4410(11) 0.4198(8) 0.090(5) Uani 1 1 d . . .
H44A H 0.0321 0.4462 0.4658 0.134 Uiso 1 1 calc R . .
H44B H 0.0089 0.3839 0.3959 0.134 Uiso 1 1 calc R . .
H44C H 0.0381 0.4943 0.3962 0.134 Uiso 1 1 calc R . .
C45 C 0.2101(15) 0.3302(12) 0.4682(11) 0.132(8) Uani 1 1 d . . .
H45A H 0.2448 0.3493 0.5137 0.198 Uiso 1 1 calc R . .
H45B H 0.2508 0.2965 0.4430 0.198 Uiso 1 1 calc R . .
H45C H 0.1433 0.2900 0.4710 0.198 Uiso 1 1 calc R . .
C46 C 0.4565(12) 0.4618(14) 0.3930(8) 0.106(7) Uani 1 1 d . . .
H46A H 0.4610 0.5266 0.4083 0.160 Uiso 1 1 calc R . .
H46B H 0.5201 0.4559 0.3757 0.160 Uiso 1 1 calc R . .
H46C H 0.4450 0.4231 0.4308 0.160 Uiso 1 1 calc R . .
C47 C 0.3407(16) 0.2948(14) 0.2955(12) 0.163(11) Uani 1 1 d . . .
H47A H 0.2861 0.2718 0.2587 0.244 Uiso 1 1 calc R . .
H47B H 0.3283 0.2576 0.3340 0.244 Uiso 1 1 calc R . .
H47C H 0.4060 0.2901 0.2804 0.244 Uiso 1 1 calc R . .
C48 C 0.3795(15) 0.4829(19) 0.2510(11) 0.161(11) Uani 1 1 d . . .
H48A H 0.3249 0.4651 0.2136 0.242 Uiso 1 1 calc R . .
H48B H 0.4418 0.4678 0.2374 0.242 Uiso 1 1 calc R . .
H48C H 0.3915 0.5496 0.2629 0.242 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Er1 N1 180.0(4) . 2_656 ?
N1 Er1 N3 97.1(4) . 2_656 ?
N1 Er1 N3 82.9(4) 2_656 2_656 ?
N1 Er1 N3 82.9(4) . . ?
N1 Er1 N3 97.1(4) 2_656 . ?
N3 Er1 N3 179.998(1) 2_656 . ?
N1 Er1 N5 98.7(4) . 2_656 ?
N1 Er1 N5 81.3(4) 2_656 2_656 ?
N3 Er1 N5 81.3(4) 2_656 2_656 ?
N3 Er1 N5 98.7(4) . 2_656 ?
N1 Er1 N5 81.3(4) . . ?
N1 Er1 N5 98.7(4) 2_656 . ?
N3 Er1 N5 98.7(4) 2_656 . ?
N3 Er1 N5 81.3(4) . . ?
N5 Er1 N5 179.998(1) 2_656 . ?
N7 Er3 N7 179.999(1) . 2_675 ?
N7 Er3 N11 81.5(4) . . ?
N7 Er3 N11 98.5(4) 2_675 . ?
N7 Er3 N11 98.5(4) . 2_675 ?
N7 Er3 N11 81.5(4) 2_675 2_675 ?
N11 Er3 N11 180.0(4) . 2_675 ?
N7 Er3 N9 98.4(4) . 2_675 ?
N7 Er3 N9 81.6(4) 2_675 2_675 ?
N11 Er3 N9 98.1(4) . 2_675 ?
N11 Er3 N9 81.9(4) 2_675 2_675 ?
N7 Er3 N9 81.6(4) . . ?
N7 Er3 N9 98.4(4) 2_675 . ?
N11 Er3 N9 81.9(4) . . ?
N11 Er3 N9 98.1(4) 2_675 . ?
N9 Er3 N9 180.0(3) 2_675 . ?
N13 Er2 N15 115.4(4) . . ?
N13 Er2 N14 115.0(4) . . ?
N15 Er2 N14 120.1(4) . . ?
N13 Er2 C31 74.2(4) . . ?
N15 Er2 C31 102.1(4) . . ?
N14 Er2 C31 121.0(4) . . ?
N13 Er2 Si1 34.6(2) . . ?
N15 Er2 Si1 113.4(3) . . ?
N14 Er2 Si1 126.4(3) . . ?
C31 Er2 Si1 39.6(3) . . ?
N13 Er2 Si5 137.7(3) . . ?
N15 Er2 Si5 29.5(3) . . ?
N14 Er2 Si5 106.9(3) . . ?
C31 Er2 Si5 89.7(3) . . ?
Si1 Er2 Si5 118.70(12) . . ?
N4 B1 N6 109.1(11) . . ?
N4 B1 N2 110.0(10) . . ?
N6 B1 N2 108.1(9) . . ?
N4 B1 H1B 118(5) . . ?
N6 B1 H1B 97(5) . . ?
N2 B1 H1B 113(5) . . ?
N12 B2 N8 113.1(11) . . ?
N12 B2 N10 108.6(11) . . ?
N8 B2 N10 109.4(11) . . ?
N12 B2 H2B 105(6) . . ?
N8 B2 H2B 117(6) . . ?
N10 B2 H2B 103(6) . . ?
C2 N1 N2 105.8(10) . . ?
C2 N1 Er1 133.3(9) . . ?
N2 N1 Er1 118.2(7) . . ?
C4 N2 N1 111.9(10) . . ?
C4 N2 B1 127.0(11) . . ?
N1 N2 B1 121.0(9) . . ?
C7 N3 N4 106.0(10) . . ?
C7 N3 Er1 136.9(9) . . ?
N4 N3 Er1 116.3(7) . . ?
C9 N4 N3 107.1(10) . . ?
C9 N4 B1 129.7(10) . . ?
N3 N4 B1 123.1(9) . . ?
C12 N5 N6 109.3(10) . . ?
C12 N5 Er1 136.0(9) . . ?
N6 N5 Er1 113.0(8) . . ?
C14 N6 N5 107.7(10) . . ?
C14 N6 B1 126.3(11) . . ?
N5 N6 B1 125.6(10) . . ?
C17 N7 N8 100.9(12) . . ?
C17 N7 Er3 138.6(11) . . ?
N8 N7 Er3 120.5(8) . . ?
C19 N8 N7 112.7(11) . . ?
C19 N8 B2 128.2(12) . . ?
N7 N8 B2 119.1(11) . . ?
C22 N9 N10 103.5(12) . . ?
C22 N9 Er3 137.7(11) . . ?
N10 N9 Er3 118.5(8) . . ?
C24 N10 N9 110.9(11) . . ?
C24 N10 B2 128.9(12) . . ?
N9 N10 B2 120.1(10) . . ?
C27 N11 N12 106.7(11) . . ?
C27 N11 Er3 134.4(10) . . ?
N12 N11 Er3 117.7(8) . . ?
C29 N12 N11 110.6(10) . . ?
C29 N12 B2 127.1(12) . . ?
N11 N12 B2 122.2(11) . . ?
Si1 N13 Si2 125.4(6) . . ?
Si1 N13 Er2 99.4(4) . . ?
Si2 N13 Er2 135.1(5) . . ?
Si3 N14 Si4 121.5(6) . . ?
Si3 N14 Er2 120.7(6) . . ?
Si4 N14 Er2 117.3(5) . . ?
Si5 N15 Si6 122.0(6) . . ?
Si5 N15 Er2 109.9(6) . . ?
Si6 N15 Er2 125.9(6) . . ?
N13 Si1 C32 117.4(6) . . ?
N13 Si1 C33 113.7(6) . . ?
C32 Si1 C33 101.9(8) . . ?
N13 Si1 C31 100.6(6) . . ?
C32 Si1 C31 112.1(7) . . ?
C33 Si1 C31 111.4(7) . . ?
N13 Si1 Er2 46.0(3) . . ?
C32 Si1 Er2 130.1(5) . . ?
C33 Si1 Er2 128.0(6) . . ?
C31 Si1 Er2 54.6(4) . . ?
N13 Si2 C36 111.2(6) . . ?
N13 Si2 C34 113.2(8) . . ?
C36 Si2 C34 110.9(11) . . ?
N13 Si2 C35 111.6(7) . . ?
C36 Si2 C35 103.9(8) . . ?
C34 Si2 C35 105.7(12) . . ?
C38 Si3 N14 122.1(11) . . ?
C38 Si3 C39 104.7(18) . . ?
N14 Si3 C39 117.0(9) . . ?
C38 Si3 C37 89.9(18) . . ?
N14 Si3 C37 110.1(9) . . ?
C39 Si3 C37 109.5(14) . . ?
N14 Si4 C40 119.1(8) . . ?
N14 Si4 C41 112.6(7) . . ?
C40 Si4 C41 111.7(9) . . ?
N14 Si4 C42 110.2(6) . . ?
C40 Si4 C42 98.5(8) . . ?
C41 Si4 C42 102.4(8) . . ?
N15 Si5 C45 114.7(8) . . ?
N15 Si5 C43 117.2(7) . . ?
C45 Si5 C43 104.4(9) . . ?
N15 Si5 C44 108.2(6) . . ?
C45 Si5 C44 106.8(8) . . ?
C43 Si5 C44 104.7(8) . . ?
N15 Si5 Er2 40.5(4) . . ?
C45 Si5 Er2 122.2(6) . . ?
C43 Si5 Er2 133.2(7) . . ?
C44 Si5 Er2 68.0(5) . . ?
N15 Si6 C48 109.9(8) . . ?
N15 Si6 C47 112.8(8) . . ?
C48 Si6 C47 105.0(12) . . ?
N15 Si6 C46 115.7(6) . . ?
C48 Si6 C46 106.4(9) . . ?
C47 Si6 C46 106.3(9) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
C2 C1 H1D 109.5 . . ?
H1A C1 H1D 109.5 . . ?
H1C C1 H1D 109.5 . . ?
N1 C2 C1 124.7(14) . . ?
N1 C2 C3 107.9(12) . . ?
C1 C2 C3 126.8(13) . . ?
C4 C3 C2 106.8(13) . . ?
C4 C3 H3 126.6 . . ?
C2 C3 H3 126.6 . . ?
N2 C4 C3 107.7(12) . . ?
N2 C4 C5 123.9(12) . . ?
C3 C4 C5 128.4(13) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N3 C7 C8 110.5(13) . . ?
N3 C7 C6 117.9(14) . . ?
C8 C7 C6 131.4(15) . . ?
C9 C8 C7 107.6(13) . . ?
C9 C8 H8A 126.2 . . ?
C7 C8 H8A 126.2 . . ?
C8 C9 N4 108.6(11) . . ?
C8 C9 C10 130.3(12) . . ?
N4 C9 C10 121.0(12) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N5 C12 C13 110.0(11) . . ?
N5 C12 C11 118.8(13) . . ?
C13 C12 C11 131.2(13) . . ?
C12 C13 C14 106.7(12) . . ?
C12 C13 H13A 126.7 . . ?
C14 C13 H13A 126.7 . . ?
N6 C14 C13 106.3(12) . . ?
N6 C14 C15 128.0(13) . . ?
C13 C14 C15 125.7(13) . . ?
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 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N7 C17 C18 114.1(14) . . ?
N7 C17 C16 118.7(15) . . ?
C18 C17 C16 127.0(14) . . ?
C17 C18 C19 108.0(13) . . ?
C17 C18 H18A 126.0 . . ?
C19 C18 H18A 126.0 . . ?
C18 C19 N8 104.2(12) . . ?
C18 C19 C20 130.8(15) . . ?
N8 C19 C20 125.0(16) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N9 C22 C23 111.4(15) . . ?
N9 C22 C21 116.3(15) . . ?
C23 C22 C21 132.2(14) . . ?
C24 C23 C22 106.8(13) . . ?
C24 C23 H23A 126.6 . . ?
C22 C23 H23A 126.6 . . ?
N10 C24 C23 107.3(12) . . ?
N10 C24 C25 122.5(14) . . ?
C23 C24 C25 130.2(13) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C27 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N11 C27 C28 108.3(15) . . ?
N11 C27 C26 123.4(14) . . ?
C28 C27 C26 128.1(16) . . ?
C29 C28 C27 109.3(15) . . ?
C29 C28 H28A 125.4 . . ?
C27 C28 H28A 125.4 . . ?
N12 C29 C28 105.1(14) . . ?
N12 C29 C30 123.5(15) . . ?
C28 C29 C30 131.4(17) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si1 C31 Er2 85.8(5) . . ?
Si1 C31 H31A 114.4 . . ?
Er2 C31 H31A 114.4 . . ?
Si1 C31 H31B 114.4 . . ?
Er2 C31 H31B 114.4 . . ?
H31A C31 H31B 111.5 . . ?
Si1 C32 H32A 109.5 . . ?
Si1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si1 C33 H33A 109.5 . . ?
Si1 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si1 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si2 C34 H34A 109.5 . . ?
Si2 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si2 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si2 C35 H35A 109.5 . . ?
Si2 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si2 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si2 C36 H36A 109.5 . . ?
Si2 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si2 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si3 C37 H37A 109.5 . . ?
Si3 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si3 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si3 C38 H38A 109.5 . . ?
Si3 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si3 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si3 C39 H39A 109.5 . . ?
Si3 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si3 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si4 C40 H40A 109.5 . . ?
Si4 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si4 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si4 C41 H41A 109.5 . . ?
Si4 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si4 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si4 C42 H42A 109.5 . . ?
Si4 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si4 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si5 C43 H43A 109.5 . . ?
Si5 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si5 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si5 C44 H44A 109.5 . . ?
Si5 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si5 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Si5 C45 H45A 109.5 . . ?
Si5 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
Si5 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si6 C46 H46A 109.5 . . ?
Si6 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
Si6 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
Si6 C47 H47A 109.5 . . ?
Si6 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
Si6 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
Si6 C48 H48A 109.5 . . ?
Si6 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
Si6 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
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
Er1 N1 2.344(10) . ?
Er1 N1 2.344(10) 2_656 ?
Er1 N3 2.378(10) 2_656 ?
Er1 N3 2.378(10) . ?
Er1 N5 2.399(12) 2_656 ?
Er1 N5 2.399(12) . ?
Er3 N7 2.304(12) . ?
Er3 N7 2.304(12) 2_675 ?
Er3 N11 2.343(11) . ?
Er3 N11 2.343(11) 2_675 ?
Er3 N9 2.353(11) 2_675 ?
Er3 N9 2.353(11) . ?
Er2 N13 2.171(10) . ?
Er2 N15 2.254(10) . ?
Er2 N14 2.286(10) . ?
Er2 C31 2.432(14) . ?
Er2 Si1 2.977(5) . ?
Er2 Si5 3.260(5) . ?
B1 N4 1.520(18) . ?
B1 N6 1.534(16) . ?
B1 N2 1.577(17) . ?
B1 H1B 1.10(2) . ?
B2 N12 1.535(18) . ?
B2 N8 1.547(18) . ?
B2 N10 1.575(17) . ?
B2 H2B 1.11(2) . ?
N1 C2 1.363(16) . ?
N1 N2 1.377(13) . ?
N2 C4 1.329(15) . ?
N3 C7 1.352(16) . ?
N3 N4 1.407(13) . ?
N4 C9 1.380(14) . ?
N5 C12 1.339(15) . ?
N5 N6 1.415(12) . ?
N6 C14 1.357(16) . ?
N7 C17 1.345(16) . ?
N7 N8 1.410(14) . ?
N8 C19 1.383(16) . ?
N9 C22 1.366(16) . ?
N9 N10 1.401(15) . ?
N10 C24 1.354(14) . ?
N11 C27 1.326(17) . ?
N11 N12 1.381(14) . ?
N12 C29 1.348(17) . ?
N13 Si1 1.712(10) . ?
N13 Si2 1.749(11) . ?
N14 Si3 1.679(11) . ?
N14 Si4 1.750(11) . ?
N15 Si5 1.709(12) . ?
N15 Si6 1.716(12) . ?
Si1 C32 1.829(15) . ?
Si1 C33 1.884(14) . ?
Si1 C31 1.904(12) . ?
Si2 C36 1.851(15) . ?
Si2 C34 1.85(2) . ?
Si2 C35 1.92(2) . ?
Si3 C38 1.62(3) . ?
Si3 C39 1.81(2) . ?
Si3 C37 1.85(2) . ?
Si4 C40 1.85(2) . ?
Si4 C41 1.879(17) . ?
Si4 C42 1.880(16) . ?
Si5 C45 1.883(18) . ?
Si5 C43 1.883(15) . ?
Si5 C44 1.901(17) . ?
Si6 C48 1.74(2) . ?
Si6 C47 1.881(18) . ?
Si6 C46 1.914(17) . ?
C1 C2 1.412(18) . ?
C1 H1A 0.9600 . ?
C1 H1C 0.9600 . ?
C1 H1D 0.9600 . ?
C2 C3 1.429(18) . ?
C3 C4 1.367(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.502(17) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C7 1.56(2) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.360(19) . ?
C8 C9 1.351(18) . ?
C8 H8A 0.9300 . ?
C9 C10 1.474(17) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.495(18) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.350(18) . ?
C13 C14 1.480(18) . ?
C13 H13A 0.9300 . ?
C14 C15 1.480(18) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.54(2) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.35(2) . ?
C18 C19 1.37(2) . ?
C18 H18A 0.9300 . ?
C19 C20 1.45(2) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.54(2) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.37(2) . ?
C23 C24 1.372(19) . ?
C23 H23A 0.9300 . ?
C24 C25 1.47(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.51(2) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.38(2) . ?
C28 C29 1.37(2) . ?
C28 H28A 0.9300 . ?
C29 C30 1.44(2) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
