#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:13:48 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178694 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/05/4080538.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_4080538
loop_
_publ_author_name
'Yao, Changguang'
'Wu, Chunji'
'Wang, Baoli'
'Cui, Dongmei'
_publ_section_title
;
 Copolymerization of Ethylene with 1-Hexene and 1-Octene Catalyzed by
 Fluorenyl N-Heterocyclic Carbene Ligated Rare-Earth Metal Precursors
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              2204
_journal_paper_doi               10.1021/om4000709
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C39 H52 Er N2 Si2'
_chemical_formula_weight         772.27
_chemical_name_systematic
; 
 ? 
;
_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'
_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                 117.2640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.909(2)
_cell_length_b                   11.0583(7)
_cell_length_c                   20.5609(14)
_cell_measurement_temperature    198(2)
_cell_volume                     7661.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0644
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            24146
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    2.280
_exptl_absorpt_correction_T_max  0.8567
_exptl_absorpt_correction_T_min  0.7875
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3167
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.161
_refine_diff_density_min         -2.020
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         7533
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0859
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+29.2694P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1413
_reflns_number_gt                5631
_reflns_number_total             7533
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4000709_si_002.cif
_cod_data_source_block           flu-er
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4080538
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
Er1 Er 0.155815(9) 0.26893(3) 0.080966(18) 0.03563(12) Uani 1 1 d .
N1 N 0.14647(19) 0.4575(6) 0.2023(3) 0.0450(16) Uani 1 1 d .
N2 N 0.08733(18) 0.3927(5) 0.1354(3) 0.0416(15) Uani 1 1 d .
Si1 Si 0.18077(8) 0.5755(2) 0.01478(14) 0.0604(7) Uani 1 1 d .
Si2 Si 0.10050(8) 0.0880(2) -0.09304(14) 0.0593(7) Uani 1 1 d .
C1 C 0.2320(2) 0.2486(7) 0.1816(4) 0.0428(18) Uani 1 1 d .
C2 C 0.2602(2) 0.3260(8) 0.1756(4) 0.053(2) Uani 1 1 d .
H2 H 0.2675 0.4001 0.2019 0.063 Uiso 1 1 calc R
C3 C 0.2764(3) 0.2926(10) 0.1320(5) 0.069(3) Uani 1 1 d .
H3 H 0.2954 0.3447 0.1285 0.082 Uiso 1 1 calc R
C4 C 0.2666(3) 0.1855(10) 0.0922(5) 0.068(3) Uani 1 1 d .
H4 H 0.2791 0.1660 0.0625 0.082 Uiso 1 1 calc R
C5 C 0.2393(2) 0.1080(8) 0.0951(4) 0.053(2) Uani 1 1 d .
H5 H 0.2321 0.0360 0.0668 0.063 Uiso 1 1 calc R
C6 C 0.2221(2) 0.1372(7) 0.1412(4) 0.0445(19) Uani 1 1 d .
C7 C 0.1946(2) 0.0727(7) 0.1594(4) 0.0428(18) Uani 1 1 d .
C8 C 0.1765(2) -0.0411(7) 0.1398(5) 0.052(2) Uani 1 1 d .
H8 H 0.1807 -0.0904 0.1062 0.063 Uiso 1 1 calc R
C9 C 0.1531(2) -0.0802(8) 0.1688(5) 0.058(2) Uani 1 1 d .
H9 H 0.1409 -0.1576 0.1556 0.069 Uiso 1 1 calc R
C10 C 0.1463(2) -0.0070(9) 0.2188(5) 0.059(2) Uani 1 1 d .
H10 H 0.1297 -0.0368 0.2385 0.071 Uiso 1 1 calc R
C11 C 0.1631(2) 0.1054(8) 0.2394(5) 0.052(2) Uani 1 1 d .
H11 H 0.1578 0.1534 0.2724 0.063 Uiso 1 1 calc R
C12 C 0.1885(3) 0.1491(11) 0.2105(6) 0.081(2) Uani 1 1 d .
C13 C 0.2094(2) 0.2586(7) 0.2209(4) 0.0430(18) Uani 1 1 d .
C14 C 0.2125(2) 0.3616(8) 0.2713(4) 0.051(2) Uani 1 1 d .
H14A H 0.2408 0.3838 0.2998 0.061 Uiso 1 1 calc R
H14B H 0.2032 0.3327 0.3064 0.061 Uiso 1 1 calc R
C15 C 0.1892(2) 0.4751(7) 0.2340(5) 0.052(2) Uani 1 1 d .
H15A H 0.1971 0.5415 0.2702 0.063 Uiso 1 1 calc R
H15B H 0.1961 0.4996 0.1949 0.063 Uiso 1 1 calc R
C16 C 0.1251(3) 0.3858(9) 0.1444(5) 0.0694(19) Uani 1 1 d .
C17 C 0.1225(3) 0.5080(8) 0.2297(5) 0.059(2) Uani 1 1 d .
H17 H 0.1307 0.5611 0.2704 0.070 Uiso 1 1 calc R
C18 C 0.0858(3) 0.4678(8) 0.1881(5) 0.058(2) Uani 1 1 d .
H18 H 0.0629 0.4870 0.1935 0.069 Uiso 1 1 calc R
C19 C 0.0537(2) 0.3368(7) 0.0778(4) 0.0426(18) Uani 1 1 d .
C20 C 0.0374(3) 0.2319(7) 0.0925(6) 0.055(2) Uani 1 1 d .
C21 C 0.0047(3) 0.1807(9) 0.0331(6) 0.067(3) Uani 1 1 d .
H21 H -0.0071 0.1102 0.0411 0.081 Uiso 1 1 calc R
C22 C -0.0110(3) 0.2277(9) -0.0359(7) 0.073(3) Uani 1 1 d .
C23 C 0.0052(2) 0.3313(9) -0.0481(5) 0.060(2) Uani 1 1 d .
H23 H -0.0059 0.3649 -0.0959 0.073 Uiso 1 1 calc R
C24 C 0.0373(2) 0.3875(7) 0.0081(5) 0.049(2) Uani 1 1 d .
C25 C 0.0553(3) 0.1770(8) 0.1674(5) 0.069(3) Uani 1 1 d .
H25A H 0.0808 0.1393 0.1777 0.104 Uiso 1 1 calc R
H25B H 0.0373 0.1156 0.1699 0.104 Uiso 1 1 calc R
H25C H 0.0597 0.2402 0.2038 0.104 Uiso 1 1 calc R
C26 C 0.0548(3) 0.5004(8) -0.0069(5) 0.062(2) Uani 1 1 d .
H26A H 0.0764 0.4781 -0.0183 0.093 Uiso 1 1 calc R
H26B H 0.0652 0.5527 0.0364 0.093 Uiso 1 1 calc R
H26C H 0.0342 0.5437 -0.0486 0.093 Uiso 1 1 calc R
C27 C -0.0473(3) 0.1674(11) -0.0982(7) 0.111(5) Uani 1 1 d .
H27A H -0.0387 0.1178 -0.1277 0.166 Uiso 1 1 calc R
H27B H -0.0657 0.2299 -0.1291 0.166 Uiso 1 1 calc R
H27C H -0.0607 0.1162 -0.0774 0.166 Uiso 1 1 calc R
C28 C 0.1688(3) 0.4132(8) 0.0119(4) 0.054(2) Uani 1 1 d .
H28A H 0.1907 0.3750 0.0056 0.065 Uiso 1 1 calc R
H28B H 0.1453 0.4056 -0.0366 0.065 Uiso 1 1 calc R
C29 C 0.2322(3) 0.6146(9) 0.0844(5) 0.0694(19) Uani 1 1 d .
H29A H 0.2352 0.5978 0.1335 0.104 Uiso 1 1 calc R
H29B H 0.2372 0.7005 0.0804 0.104 Uiso 1 1 calc R
H29C H 0.2513 0.5658 0.0759 0.104 Uiso 1 1 calc R
C30 C 0.1455(4) 0.6661(9) 0.0347(7) 0.095(4) Uani 1 1 d .
H30A H 0.1185 0.6546 -0.0047 0.143 Uiso 1 1 calc R
H30B H 0.1526 0.7518 0.0380 0.143 Uiso 1 1 calc R
H30C H 0.1468 0.6394 0.0811 0.143 Uiso 1 1 calc R
C31 C 0.1759(3) 0.6335(9) -0.0750(5) 0.077(3) Uani 1 1 d .
H31A H 0.1941 0.5890 -0.0881 0.116 Uiso 1 1 calc R
H31B H 0.1825 0.7198 -0.0705 0.116 Uiso 1 1 calc R
H31C H 0.1486 0.6219 -0.1131 0.116 Uiso 1 1 calc R
C32 C 0.1051(2) 0.1495(8) -0.0070(5) 0.056(2) Uani 1 1 d .
H32A H 0.1030 0.0785 0.0204 0.067 Uiso 1 1 calc R
H32B H 0.0805 0.1967 -0.0209 0.067 Uiso 1 1 calc R
C33 C 0.1410(4) -0.0184(11) -0.0784(7) 0.109(4) Uani 1 1 d U
H33A H 0.1663 0.0249 -0.0570 0.164 Uiso 1 1 calc R
H33B H 0.1363 -0.0537 -0.1254 0.164 Uiso 1 1 calc R
H33C H 0.1417 -0.0828 -0.0451 0.164 Uiso 1 1 calc R
C34 C 0.1046(4) 0.2094(10) -0.1531(6) 0.106(4) Uani 1 1 d U
H34A H 0.0839 0.2702 -0.1633 0.159 Uiso 1 1 calc R
H34B H 0.1013 0.1735 -0.1991 0.159 Uiso 1 1 calc R
H34C H 0.1308 0.2478 -0.1280 0.159 Uiso 1 1 calc R
C35 C 0.0516(3) 0.0167(10) -0.1505(5) 0.081(2) Uani 1 1 d U
H35A H 0.0491 -0.0574 -0.1268 0.122 Uiso 1 1 calc R
H35B H 0.0495 -0.0030 -0.1986 0.122 Uiso 1 1 calc R
H35C H 0.0304 0.0731 -0.1565 0.122 Uiso 1 1 calc R
C36 C 1.0000 0.3250(18) 0.2500 0.098(5) Uiso 1 2 d S
H36 H 1.0000 0.2391 0.2500 0.118 Uiso 1 2 calc SR
C37 C 0.9711(4) 0.3848(13) 0.2032(8) 0.111(4) Uiso 1 1 d .
C38 C 1.0000 0.5669(18) 0.2500 0.113(6) Uiso 1 2 d S
H38 H 1.0000 0.6529 0.2500 0.135 Uiso 1 2 calc SR
C39 C 0.9671(4) 0.5114(12) 0.1990(8) 0.112(4) Uiso 1 1 d .
H39 H 0.9441 0.5528 0.1647 0.134 Uiso 1 1 calc R
C40 C 0.9407(8) 0.322(2) 0.1586(14) 0.267(13) Uiso 1 1 d .
H40A H 0.9450 0.2939 0.1175 0.400 Uiso 1 1 calc R
H40B H 0.9167 0.3716 0.1402 0.400 Uiso 1 1 calc R
H40C H 0.9375 0.2514 0.1846 0.400 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'
Er Er -0.2586 4.9576 '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'
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
C28 Er1 C32 104.0(3) .
C28 Er1 C16 104.2(3) .
C32 Er1 C16 106.4(3) .
C28 Er1 C13 114.8(3) .
C32 Er1 C13 139.4(3) .
C16 Er1 C13 76.2(3) .
C28 Er1 C6 103.9(3) .
C32 Er1 C6 108.4(3) .
C16 Er1 C6 127.6(3) .
C13 Er1 C6 51.9(2) .
C28 Er1 C1 94.3(3) .
C32 Er1 C1 139.4(3) .
C16 Er1 C1 103.7(3) .
C13 Er1 C1 31.0(2) .
C6 Er1 C1 31.1(2) .
C28 Er1 C7 134.7(3) .
C32 Er1 C7 92.2(3) .
C16 Er1 C7 111.4(3) .
C13 Er1 C7 51.8(2) .
C6 Er1 C7 31.2(2) .
C1 Er1 C7 51.2(2) .
C28 Er1 C12 143.4(3) .
C32 Er1 C12 109.0(3) .
C16 Er1 C12 81.4(3) .
C13 Er1 C12 30.4(3) .
C6 Er1 C12 50.8(3) .
C1 Er1 C12 49.9(3) .
C7 Er1 C12 31.0(3) .
C16 N1 C17 110.9(7) .
C16 N1 C15 124.6(7) .
C17 N1 C15 124.4(7) .
C16 N2 C18 110.2(7) .
C16 N2 C19 125.1(7) .
C18 N2 C19 124.7(7) .
C28 Si1 C30 109.8(4) .
C28 Si1 C29 113.9(4) .
C30 Si1 C29 108.1(5) .
C28 Si1 C31 112.8(4) .
C30 Si1 C31 105.9(5) .
C29 Si1 C31 105.8(5) .
C32 Si2 C33 112.1(5) .
C32 Si2 C35 113.5(4) .
C33 Si2 C35 110.3(6) .
C32 Si2 C34 111.7(5) .
C33 Si2 C34 104.5(6) .
C35 Si2 C34 104.1(5) .
C2 C1 C13 132.5(7) .
C2 C1 C6 118.4(7) .
C13 C1 C6 109.1(6) .
C2 C1 Er1 118.1(5) .
C13 C1 Er1 73.5(4) .
C6 C1 Er1 73.8(4) .
C3 C2 C1 118.9(8) .
C3 C2 H2 120.5 .
C1 C2 H2 120.5 .
C2 C3 C4 123.0(9) .
C2 C3 H3 118.5 .
C4 C3 H3 118.5 .
C5 C4 C3 120.7(8) .
C5 C4 H4 119.7 .
C3 C4 H4 119.7 .
C4 C5 C6 118.7(8) .
C4 C5 H5 120.7 .
C6 C5 H5 120.7 .
C5 C6 C1 120.3(7) .
C5 C6 C7 132.0(8) .
C1 C6 C7 107.7(6) .
C5 C6 Er1 116.1(5) .
C1 C6 Er1 75.0(4) .
C7 C6 Er1 75.8(4) .
C8 C7 C6 133.3(8) .
C8 C7 C12 120.7(8) .
C6 C7 C12 105.9(7) .
C8 C7 Er1 119.2(5) .
C6 C7 Er1 73.0(4) .
C12 C7 Er1 74.9(6) .
C9 C8 C7 119.8(8) .
C9 C8 H8 120.1 .
C7 C8 H8 120.1 .
C8 C9 C10 120.7(8) .
C8 C9 H9 119.6 .
C10 C9 H9 119.6 .
C11 C10 C9 121.9(8) .
C11 C10 H10 119.1 .
C9 C10 H10 119.1 .
C10 C11 C12 118.9(9) .
C10 C11 H11 120.6 .
C12 C11 H11 120.6 .
C13 C12 C11 131.9(9) .
C13 C12 C7 110.2(8) .
C11 C12 C7 118.0(9) .
C13 C12 Er1 72.6(6) .
C11 C12 Er1 118.8(7) .
C7 C12 Er1 74.1(5) .
C12 C13 C1 106.9(7) .
C12 C13 C14 128.0(7) .
C1 C13 C14 124.7(7) .
C12 C13 Er1 77.0(5) .
C1 C13 Er1 75.5(4) .
C14 C13 Er1 119.5(5) .
C13 C14 C15 115.6(6) .
C13 C14 H14A 108.4 .
C15 C14 H14A 108.4 .
C13 C14 H14B 108.4 .
C15 C14 H14B 108.4 .
H14A C14 H14B 107.4 .
N1 C15 C14 112.6(6) .
N1 C15 H15A 109.1 .
C14 C15 H15A 109.1 .
N1 C15 H15B 109.1 .
C14 C15 H15B 109.1 .
H15A C15 H15B 107.8 .
N1 C16 N2 104.8(8) .
N1 C16 Er1 122.4(6) .
N2 C16 Er1 132.7(7) .
C18 C17 N1 106.9(7) .
C18 C17 H17 126.6 .
N1 C17 H17 126.6 .
C17 C18 N2 107.2(7) .
C17 C18 H18 126.4 .
N2 C18 H18 126.4 .
C24 C19 C20 121.3(8) .
C24 C19 N2 119.3(7) .
C20 C19 N2 119.5(7) .
C21 C20 C19 116.4(9) .
C21 C20 C25 122.5(8) .
C19 C20 C25 121.0(8) .
C22 C21 C20 122.8(9) .
C22 C21 H21 118.6 .
C20 C21 H21 118.6 .
C21 C22 C23 119.3(9) .
C21 C22 C27 119.8(10) .
C23 C22 C27 120.9(11) .
C22 C23 C24 121.2(9) .
C22 C23 H23 119.4 .
C24 C23 H23 119.4 .
C23 C24 C19 119.0(8) .
C23 C24 C26 120.1(8) .
C19 C24 C26 120.9(8) .
C20 C25 H25A 109.5 .
C20 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
C20 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
C24 C26 H26A 109.5 .
C24 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C24 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C22 C27 H27A 109.5 .
C22 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C22 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
Si1 C28 Er1 139.7(4) .
Si1 C28 H28A 102.1 .
Er1 C28 H28A 102.1 .
Si1 C28 H28B 102.1 .
Er1 C28 H28B 102.1 .
H28A C28 H28B 104.8 .
Si1 C29 H29A 109.5 .
Si1 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
Si1 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
Si1 C30 H30A 109.5 .
Si1 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
Si1 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
Si1 C31 H31A 109.5 .
Si1 C31 H31B 109.5 .
H31A C31 H31B 109.5 .
Si1 C31 H31C 109.5 .
H31A C31 H31C 109.5 .
H31B C31 H31C 109.5 .
Si2 C32 Er1 129.4(4) .
Si2 C32 H32A 104.9 .
Er1 C32 H32A 104.9 .
Si2 C32 H32B 104.9 .
Er1 C32 H32B 104.9 .
H32A C32 H32B 105.8 .
Si2 C33 H33A 109.5 .
Si2 C33 H33B 109.5 .
H33A C33 H33B 109.5 .
Si2 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 .
C37 C36 C37 117(2) 2_755
C37 C36 H36 121.5 2_755
C37 C36 H36 121.5 .
C36 C37 C40 115.7(18) .
C36 C37 C39 126.7(17) .
C40 C37 C39 117.3(18) .
C39 C38 C39 126(2) 2_755
C39 C38 H38 117.0 2_755
C39 C38 H38 117.0 .
C38 C39 C37 111.7(16) .
C38 C39 H39 124.1 .
C37 C39 H39 124.1 .
C37 C40 H40A 109.5 .
C37 C40 H40B 109.5 .
H40A C40 H40B 109.5 .
C37 C40 H40C 109.5 .
H40A C40 H40C 109.5 .
H40B C40 H40C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 C28 2.333(8) .
Er1 C32 2.351(8) .
Er1 C16 2.473(11) .
Er1 C13 2.657(8) .
Er1 C6 2.667(7) .
Er1 C1 2.683(7) .
Er1 C7 2.702(8) .
Er1 C12 2.714(11) .
N1 C16 1.348(11) .
N1 C17 1.386(9) .
N1 C15 1.455(10) .
N2 C16 1.361(11) .
N2 C18 1.388(10) .
N2 C19 1.424(9) .
Si1 C28 1.846(9) .
Si1 C30 1.860(10) .
Si1 C29 1.866(9) .
Si1 C31 1.881(9) .
Si2 C32 1.828(8) .
Si2 C33 1.845(11) .
Si2 C35 1.856(10) .
Si2 C34 1.878(12) .
C1 C2 1.417(10) .
C1 C13 1.426(10) .
C1 C6 1.436(10) .
C2 C3 1.351(12) .
C2 H2 0.9500 .
C3 C4 1.391(14) .
C3 H3 0.9500 .
C4 C5 1.366(12) .
C4 H4 0.9500 .
C5 C6 1.414(10) .
C5 H5 0.9500 .
C6 C7 1.444(10) .
C7 C8 1.401(11) .
C7 C12 1.449(12) .
C8 C9 1.349(11) .
C8 H8 0.9500 .
C9 C10 1.421(12) .
C9 H9 0.9500 .
C10 C11 1.372(12) .
C10 H10 0.9500 .
C11 C12 1.428(12) .
C11 H11 0.9500 .
C12 C13 1.408(13) .
C13 C14 1.508(10) .
C14 C15 1.523(11) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C17 C18 1.333(12) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C24 1.392(11) .
C19 C20 1.412(11) .
C20 C21 1.400(13) .
C20 C25 1.499(12) .
C21 C22 1.365(14) .
C21 H21 0.9500 .
C22 C23 1.375(13) .
C22 C27 1.538(13) .
C23 C24 1.384(11) .
C23 H23 0.9500 .
C24 C26 1.511(11) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
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 H28A 0.9900 .
C28 H28B 0.9900 .
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 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 C37 1.265(15) 2_755
C36 C37 1.265(15) .
C36 H36 0.9500 .
C37 C40 1.30(3) .
C37 C39 1.406(17) .
C38 C39 1.355(15) 2_755
C38 C39 1.355(15) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
