#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:06:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179231 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/51/4315162.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_4315162
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            'C34 H61 B Er N9 Si2'
_chemical_formula_weight         830.17
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.865(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.396(6)
_cell_length_b                   39.59(2)
_cell_length_c                   10.612(6)
_cell_measurement_reflns_used    6377
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.697
_cell_measurement_theta_min      2.288
_cell_volume                     3848(4)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0679
_diffrn_reflns_av_sigmaI/netI    0.0723
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15801
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    2.280
_exptl_absorpt_correction_T_max  0.7715
_exptl_absorpt_correction_T_min  0.6584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1716
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.795
_refine_diff_density_min         -3.030
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         6755
_refine_ls_number_restraints     55
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.1056
_refine_ls_R_factor_gt           0.0879
_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)+(0.2034P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2763
_refine_ls_wR_factor_ref         0.2904
_reflns_number_gt                5630
_reflns_number_total             6755
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902296d_si_001_5.cif
_cod_data_source_block           f90430b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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               4315162
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Er1 Er 0.68063(6) 0.120973(12) 0.09063(5) 0.0334(3) Uani 1 1 d . . .
B1 B 0.5628(17) 0.0514(3) 0.2348(14) 0.039(3) Uani 1 1 d D . .
H1B H 0.533(14) 0.0274(18) 0.273(12) 0.047 Uiso 1 1 d D . .
N1 N 0.7255(11) 0.0481(2) 0.2489(10) 0.037(2) Uani 1 1 d . . .
N2 N 0.8031(10) 0.0697(2) 0.1840(9) 0.029(2) Uani 1 1 d . . .
N3 N 0.5331(11) 0.0835(2) 0.3038(9) 0.035(2) Uani 1 1 d . . .
N4 N 0.5893(14) 0.1140(3) 0.2873(11) 0.045(3) Uani 1 1 d . . .
N5 N 0.4817(11) 0.0527(2) 0.0916(10) 0.036(2) Uani 1 1 d . . .
N6 N 0.5056(11) 0.0772(3) 0.0132(9) 0.036(2) Uani 1 1 d . . .
N7 N 0.5652(10) 0.1679(2) -0.0126(9) 0.029(2) Uani 1 1 d . . .
N8 N 0.8353(12) 0.1218(2) -0.0473(11) 0.038(2) Uani 1 1 d . . .
N9 N 0.8915(11) 0.1513(2) 0.1327(10) 0.037(2) Uani 1 1 d . . .
Si1 Si 0.6508(5) 0.19218(9) -0.1038(4) 0.0488(10) Uani 1 1 d . . .
Si2 Si 0.3938(4) 0.17876(9) -0.0074(4) 0.0455(9) Uani 1 1 d . . .
C1 C 0.7726(18) -0.0030(4) 0.3877(13) 0.052(4) Uani 1 1 d . . .
H1A H 0.6701 -0.0009 0.3847 0.078 Uiso 1 1 calc R . .
H1C H 0.8266 -0.0004 0.4753 0.078 Uiso 1 1 calc R . .
H1D H 0.7918 -0.0249 0.3562 0.078 Uiso 1 1 calc R . .
C2 C 0.8185(15) 0.0239(3) 0.3045(12) 0.041(3) Uani 1 1 d . . .
C3 C 0.9513(15) 0.0299(3) 0.2829(12) 0.040(3) Uani 1 1 d . . .
H3A H 1.0348 0.0173 0.3157 0.049 Uiso 1 1 calc R . .
C4 C 0.9437(15) 0.0590(3) 0.2012(12) 0.041(3) Uani 1 1 d . . .
C5 C 1.0519(15) 0.0757(4) 0.1597(15) 0.049(3) Uani 1 1 d . . .
H5A H 1.0110 0.0946 0.1074 0.073 Uiso 1 1 calc R . .
H5B H 1.0973 0.0606 0.1095 0.073 Uiso 1 1 calc R . .
H5C H 1.1235 0.0835 0.2330 0.073 Uiso 1 1 calc R . .
C6 C 0.3721(19) 0.0577(4) 0.4351(15) 0.060(4) Uani 1 1 d . . .
H6A H 0.3882 0.0372 0.3924 0.090 Uiso 1 1 calc R . .
H6B H 0.2697 0.0629 0.4152 0.090 Uiso 1 1 calc R . .
H6C H 0.4057 0.0551 0.5268 0.090 Uiso 1 1 calc R . .
C7 C 0.4512(14) 0.0849(3) 0.3912(11) 0.037(3) Uani 1 1 d . . .
C8 C 0.449(2) 0.1188(3) 0.4336(14) 0.053(4) Uani 1 1 d . . .
H8A H 0.3996 0.1283 0.4919 0.064 Uiso 1 1 calc R . .
C9 C 0.5451(15) 0.1347(4) 0.3601(12) 0.042(3) Uani 1 1 d . . .
C10 C 0.578(2) 0.1704(4) 0.3726(18) 0.082(6) Uani 1 1 d . . .
H10A H 0.6404 0.1765 0.3161 0.123 Uiso 1 1 calc R . .
H10B H 0.6256 0.1754 0.4603 0.123 Uiso 1 1 calc R . .
H10C H 0.4886 0.1831 0.3497 0.123 Uiso 1 1 calc R . .
C11 C 0.3203(18) 0.0028(3) 0.0912(17) 0.060(4) Uani 1 1 d . . .
H11A H 0.3750 0.0003 0.1786 0.091 Uiso 1 1 calc R . .
H11B H 0.3337 -0.0168 0.0422 0.091 Uiso 1 1 calc R . .
H11C H 0.2186 0.0054 0.0909 0.091 Uiso 1 1 calc R . .
C12 C 0.3725(15) 0.0333(3) 0.0323(13) 0.043(3) Uani 1 1 d . . .
C13 C 0.3261(15) 0.0457(4) -0.0898(14) 0.052(4) Uani 1 1 d . . .
H13A H 0.2535 0.0368 -0.1554 0.062 Uiso 1 1 calc R . .
C14 C 0.4065(15) 0.0735(3) -0.0961(13) 0.043(3) Uani 1 1 d . . .
C15 C 0.4025(17) 0.0963(4) -0.2078(12) 0.051(3) Uani 1 1 d . . .
H15A H 0.4751 0.1136 -0.1841 0.076 Uiso 1 1 calc R . .
H15B H 0.3077 0.1065 -0.2328 0.076 Uiso 1 1 calc R . .
H15C H 0.4220 0.0835 -0.2790 0.076 Uiso 1 1 calc R . .
C16 C 0.8550(16) 0.1828(4) -0.0670(15) 0.053(4) Uani 1 1 d . . .
H16A H 0.8889 0.1808 -0.1466 0.064 Uiso 1 1 calc R . .
H16B H 0.9090 0.2008 -0.0155 0.064 Uiso 1 1 calc R . .
C17 C 0.635(2) 0.2384(5) -0.077(2) 0.093(7) Uani 1 1 d . . .
H17A H 0.5333 0.2445 -0.0920 0.139 Uiso 1 1 calc R . .
H17B H 0.6805 0.2506 -0.1349 0.139 Uiso 1 1 calc R . .
H17C H 0.6816 0.2438 0.0109 0.139 Uiso 1 1 calc R . .
C18 C 0.582(2) 0.1864(5) -0.2786(17) 0.082(6) Uani 1 1 d . . .
H18A H 0.4785 0.1905 -0.3006 0.123 Uiso 1 1 calc R . .
H18B H 0.6005 0.1636 -0.3019 0.123 Uiso 1 1 calc R . .
H18C H 0.6301 0.2019 -0.3247 0.123 Uiso 1 1 calc R . .
C19 C 0.2783(18) 0.1897(4) -0.1659(16) 0.064(4) Uani 1 1 d . . .
H19A H 0.3237 0.2076 -0.2042 0.095 Uiso 1 1 calc R . .
H19B H 0.1845 0.1971 -0.1551 0.095 Uiso 1 1 calc R . .
H19C H 0.2666 0.1703 -0.2212 0.095 Uiso 1 1 calc R . .
C20 C 0.382(2) 0.2172(5) 0.0951(19) 0.073(5) Uani 1 1 d . . .
H20A H 0.4294 0.2359 0.0640 0.110 Uiso 1 1 calc R . .
H20B H 0.4293 0.2126 0.1833 0.110 Uiso 1 1 calc R . .
H20C H 0.2814 0.2227 0.0901 0.110 Uiso 1 1 calc R . .
C21 C 0.3003(17) 0.1441(4) 0.0618(16) 0.060(4) Uani 1 1 d . . .
H21A H 0.3023 0.1238 0.0127 0.090 Uiso 1 1 calc R . .
H21B H 0.2008 0.1504 0.0583 0.090 Uiso 1 1 calc R . .
H21C H 0.3496 0.1403 0.1501 0.090 Uiso 1 1 calc R . .
C22 C 0.8751(13) 0.1514(3) 0.0035(12) 0.037(3) Uani 1 1 d . . .
C23 C 0.8256(13) 0.1133(3) -0.1808(11) 0.032(3) Uani 1 1 d . . .
H23A H 0.7538 0.1280 -0.2361 0.039 Uiso 1 1 calc R . .
C24 C 0.9652(19) 0.1174(5) -0.2129(14) 0.060(3) Uani 1 1 d . . .
H24A H 1.0363 0.1030 -0.1571 0.072 Uiso 1 1 calc R . .
H24B H 0.9970 0.1406 -0.1979 0.072 Uiso 1 1 calc R . .
C25 C 0.958(2) 0.1084(6) -0.3497(19) 0.081(6) Uani 1 1 d . . .
H25A H 1.0536 0.1121 -0.3687 0.097 Uiso 1 1 calc R . .
H25B H 0.8893 0.1232 -0.4052 0.097 Uiso 1 1 calc R . .
C26 C 0.9139(19) 0.0724(5) -0.3796(17) 0.073(5) Uani 1 1 d . . .
H26A H 0.9864 0.0570 -0.3314 0.087 Uiso 1 1 calc R . .
H26B H 0.9020 0.0678 -0.4712 0.087 Uiso 1 1 calc R . .
C27 C 0.7689(18) 0.0685(5) -0.3388(16) 0.068(5) Uani 1 1 d . . .
H27A H 0.6962 0.0826 -0.3941 0.081 Uiso 1 1 calc R . .
H27B H 0.7368 0.0453 -0.3516 0.081 Uiso 1 1 calc R . .
C28 C 0.7780(18) 0.0783(5) -0.1986(13) 0.060(3) Uani 1 1 d . . .
H28A H 0.6832 0.0757 -0.1777 0.072 Uiso 1 1 calc R . .
H28B H 0.8469 0.0637 -0.1418 0.072 Uiso 1 1 calc R . .
C29 C 0.960(2) 0.1780(4) 0.2091(16) 0.088(6) Uani 1 1 d DU . .
H29A H 1.0459 0.1832 0.1747 0.106 Uiso 1 1 calc R . .
C30 C 1.021(4) 0.1626(4) 0.341(2) 0.25(2) Uani 1 1 d DU . .
H30A H 1.0719 0.1418 0.3301 0.298 Uiso 1 1 calc R . .
H30B H 0.9414 0.1570 0.3815 0.298 Uiso 1 1 calc R . .
C31 C 1.126(4) 0.1868(7) 0.427(3) 0.28(3) Uani 1 1 d DU . .
H31A H 1.1502 0.1778 0.5142 0.338 Uiso 1 1 calc R . .
H31B H 1.2154 0.1882 0.3961 0.338 Uiso 1 1 calc R . .
C32 C 1.064(3) 0.2215(6) 0.431(2) 0.193(17) Uani 1 1 d DU . .
H32A H 1.1399 0.2364 0.4773 0.232 Uiso 1 1 calc R . .
H32B H 0.9864 0.2208 0.4770 0.232 Uiso 1 1 calc R . .
C33 C 1.005(4) 0.2359(4) 0.295(2) 0.26(3) Uani 1 1 d DU . .
H33A H 1.0840 0.2389 0.2513 0.308 Uiso 1 1 calc R . .
H33B H 0.9608 0.2578 0.3020 0.308 Uiso 1 1 calc R . .
C34 C 0.887(2) 0.2112(5) 0.215(2) 0.152(13) Uani 1 1 d DU . .
H34A H 0.8060 0.2087 0.2568 0.183 Uiso 1 1 calc R . .
H34B H 0.8508 0.2200 0.1287 0.183 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'
B B 0.0013 0.0007 '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'
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
N9 Er1 N8 57.8(4) . . ?
N9 Er1 N7 88.0(3) . . ?
N8 Er1 N7 89.1(3) . . ?
N9 Er1 N6 161.3(3) . . ?
N8 Er1 N6 106.0(4) . . ?
N7 Er1 N6 101.9(3) . . ?
N9 Er1 N2 92.7(3) . . ?
N8 Er1 N2 87.8(3) . . ?
N7 Er1 N2 175.8(3) . . ?
N6 Er1 N2 76.3(3) . . ?
N9 Er1 N4 110.4(4) . . ?
N8 Er1 N4 160.9(4) . . ?
N7 Er1 N4 106.2(4) . . ?
N6 Er1 N4 82.3(3) . . ?
N2 Er1 N4 77.4(3) . . ?
N9 Er1 C22 32.0(4) . . ?
N8 Er1 C22 31.1(4) . . ?
N7 Er1 C22 75.2(4) . . ?
N6 Er1 C22 135.5(4) . . ?
N2 Er1 C22 103.4(3) . . ?
N4 Er1 C22 141.8(4) . . ?
N1 B1 N3 108.4(10) . . ?
N1 B1 N5 111.6(12) . . ?
N3 B1 N5 110.1(10) . . ?
N1 B1 H1B 103(7) . . ?
N3 B1 H1B 117(7) . . ?
N5 B1 H1B 107(7) . . ?
C2 N1 N2 107.0(10) . . ?
C2 N1 B1 130.8(10) . . ?
N2 N1 B1 121.7(9) . . ?
C4 N2 N1 109.8(9) . . ?
C4 N2 Er1 132.3(8) . . ?
N1 N2 Er1 117.3(6) . . ?
C7 N3 N4 111.0(11) . . ?
C7 N3 B1 124.5(11) . . ?
N4 N3 B1 124.5(10) . . ?
C9 N4 N3 108.1(12) . . ?
C9 N4 Er1 132.7(9) . . ?
N3 N4 Er1 115.8(8) . . ?
C12 N5 N6 110.3(11) . . ?
C12 N5 B1 127.6(11) . . ?
N6 N5 B1 121.7(10) . . ?
C14 N6 N5 106.6(11) . . ?
C14 N6 Er1 132.2(9) . . ?
N5 N6 Er1 120.7(8) . . ?
Si2 N7 Si1 117.2(5) . . ?
Si2 N7 Er1 122.9(5) . . ?
Si1 N7 Er1 119.8(5) . . ?
C22 N8 C23 124.3(10) . . ?
C22 N8 Er1 84.9(8) . . ?
C23 N8 Er1 136.0(9) . . ?
C22 N9 C29 121.5(13) . . ?
C22 N9 Er1 84.5(7) . . ?
C29 N9 Er1 141.3(12) . . ?
N7 Si1 C18 113.6(8) . . ?
N7 Si1 C17 113.8(8) . . ?
C18 Si1 C17 104.9(9) . . ?
N7 Si1 C16 111.0(6) . . ?
C18 Si1 C16 107.1(8) . . ?
C17 Si1 C16 105.8(8) . . ?
N7 Si2 C19 113.9(7) . . ?
N7 Si2 C21 111.4(6) . . ?
C19 Si2 C21 107.5(7) . . ?
N7 Si2 C20 113.8(7) . . ?
C19 Si2 C20 103.8(8) . . ?
C21 Si2 C20 105.8(8) . . ?
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 . . ?
C3 C2 N1 109.8(11) . . ?
C3 C2 C1 128.7(12) . . ?
N1 C2 C1 121.3(12) . . ?
C2 C3 C4 108.9(11) . . ?
C2 C3 H3A 125.6 . . ?
C4 C3 H3A 125.6 . . ?
N2 C4 C5 125.1(12) . . ?
N2 C4 C3 104.4(12) . . ?
C5 C4 C3 130.1(12) . . ?
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 108.3(12) . . ?
N3 C7 C6 127.9(13) . . ?
C8 C7 C6 123.9(13) . . ?
C7 C8 C9 100.5(13) . . ?
C7 C8 H8A 129.7 . . ?
C9 C8 H8A 129.7 . . ?
N4 C9 C10 126.9(13) . . ?
N4 C9 C8 112.1(13) . . ?
C10 C9 C8 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 107.0(12) . . ?
N5 C12 C11 124.2(14) . . ?
C13 C12 C11 128.7(14) . . ?
C14 C13 C12 106.2(12) . . ?
C14 C13 H13A 126.9 . . ?
C12 C13 H13A 126.9 . . ?
N6 C14 C13 109.8(12) . . ?
N6 C14 C15 121.5(12) . . ?
C13 C14 C15 128.5(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 . . ?
C22 C16 Si1 106.4(10) . . ?
C22 C16 H16A 110.4 . . ?
Si1 C16 H16A 110.4 . . ?
C22 C16 H16B 110.4 . . ?
Si1 C16 H16B 110.4 . . ?
H16A C16 H16B 108.6 . . ?
Si1 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si2 C20 H20A 109.5 . . ?
Si2 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si2 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N8 C22 N9 112.1(11) . . ?
N8 C22 C16 124.5(12) . . ?
N9 C22 C16 120.2(12) . . ?
N8 C22 Er1 64.0(7) . . ?
N9 C22 Er1 63.6(6) . . ?
C16 C22 Er1 125.3(9) . . ?
C24 C23 N8 110.3(11) . . ?
C24 C23 C28 110.3(12) . . ?
N8 C23 C28 107.4(10) . . ?
C24 C23 H23A 109.6 . . ?
N8 C23 H23A 109.6 . . ?
C28 C23 H23A 109.6 . . ?
C23 C24 C25 111.3(14) . . ?
C23 C24 H24A 109.4 . . ?
C25 C24 H24A 109.4 . . ?
C23 C24 H24B 109.4 . . ?
C25 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
C24 C25 C26 112.5(16) . . ?
C24 C25 H25A 109.1 . . ?
C26 C25 H25A 109.1 . . ?
C24 C25 H25B 109.1 . . ?
C26 C25 H25B 109.1 . . ?
H25A C25 H25B 107.8 . . ?
C25 C26 C27 105.0(14) . . ?
C25 C26 H26A 110.7 . . ?
C27 C26 H26A 110.7 . . ?
C25 C26 H26B 110.7 . . ?
C27 C26 H26B 110.7 . . ?
H26A C26 H26B 108.8 . . ?
C28 C27 C26 113.1(14) . . ?
C28 C27 H27A 109.0 . . ?
C26 C27 H27A 109.0 . . ?
C28 C27 H27B 109.0 . . ?
C26 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C23 C28 C27 108.5(13) . . ?
C23 C28 H28A 110.0 . . ?
C27 C28 H28A 110.0 . . ?
C23 C28 H28B 110.0 . . ?
C27 C28 H28B 110.0 . . ?
H28A C28 H28B 108.4 . . ?
N9 C29 C34 122.4(15) . . ?
N9 C29 C30 105.1(13) . . ?
C34 C29 C30 113.5(14) . . ?
N9 C29 H29A 104.7 . . ?
C34 C29 H29A 104.7 . . ?
C30 C29 H29A 104.7 . . ?
C29 C30 C31 111.2(15) . . ?
C29 C30 H30A 109.4 . . ?
C31 C30 H30A 109.4 . . ?
C29 C30 H30B 109.4 . . ?
C31 C30 H30B 109.4 . . ?
H30A C30 H30B 108.0 . . ?
C32 C31 C30 113.0(15) . . ?
C32 C31 H31A 109.0 . . ?
C30 C31 H31A 109.0 . . ?
C32 C31 H31B 109.0 . . ?
C30 C31 H31B 109.0 . . ?
H31A C31 H31B 107.8 . . ?
C31 C32 C33 112.5(15) . . ?
C31 C32 H32A 109.1 . . ?
C33 C32 H32A 109.1 . . ?
C31 C32 H32B 109.1 . . ?
C33 C32 H32B 109.1 . . ?
H32A C32 H32B 107.8 . . ?
C32 C33 C34 109.9(13) . . ?
C32 C33 H33A 109.7 . . ?
C34 C33 H33A 109.7 . . ?
C32 C33 H33B 109.7 . . ?
C34 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
C29 C34 C33 107.5(13) . . ?
C29 C34 H34A 110.2 . . ?
C33 C34 H34A 110.2 . . ?
C29 C34 H34B 110.2 . . ?
C33 C34 H34B 110.2 . . ?
H34A C34 H34B 108.5 . . ?
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 N9 2.274(10) . ?
Er1 N8 2.281(11) . ?
Er1 N7 2.303(9) . ?
Er1 N6 2.404(11) . ?
Er1 N2 2.432(9) . ?
Er1 N4 2.442(12) . ?
Er1 C22 2.528(12) . ?
B1 N1 1.508(19) . ?
B1 N3 1.521(17) . ?
B1 N5 1.541(17) . ?
B1 H1B 1.10(2) . ?
N1 C2 1.341(15) . ?
N1 N2 1.401(13) . ?
N2 C4 1.362(16) . ?
N3 C7 1.331(15) . ?
N3 N4 1.346(14) . ?
N4 C9 1.258(17) . ?
N5 C12 1.324(17) . ?
N5 N6 1.328(14) . ?
N6 C14 1.324(17) . ?
N7 Si2 1.680(10) . ?
N7 Si1 1.688(10) . ?
N8 C22 1.309(16) . ?
N8 C23 1.439(16) . ?
N9 C22 1.345(16) . ?
N9 C29 1.398(16) . ?
Si1 C18 1.839(18) . ?
Si1 C17 1.86(2) . ?
Si1 C16 1.907(16) . ?
Si2 C19 1.839(16) . ?
Si2 C21 1.865(17) . ?
Si2 C20 1.888(18) . ?
C1 C2 1.508(17) . ?
C1 H1A 0.9600 . ?
C1 H1C 0.9600 . ?
C1 H1D 0.9600 . ?
C2 C3 1.339(19) . ?
C3 C4 1.432(18) . ?
C3 H3A 0.9300 . ?
C4 C5 1.365(19) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C7 1.441(18) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.417(17) . ?
C8 C9 1.46(2) . ?
C8 H8A 0.9300 . ?
C9 C10 1.45(2) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.492(18) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.36(2) . ?
C13 C14 1.345(19) . ?
C13 H13A 0.9300 . ?
C14 C15 1.483(18) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C22 1.444(19) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C23 C24 1.44(2) . ?
C23 C28 1.46(2) . ?
C23 H23A 0.9800 . ?
C24 C25 1.48(2) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.50(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.53(2) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.52(2) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C34 1.488(16) . ?
C29 C30 1.513(16) . ?
C29 H29A 0.9800 . ?
C30 C31 1.527(17) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C32 1.493(18) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.530(17) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.575(17) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
