#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:09:35 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224194 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/92/7049281.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_7049281
loop_
_publ_author_name
'Hong, Dongjing'
'Zhu, Xiancui'
'Wang, Shaowu'
'Wei, Yun'
'Zhou, Shuangliu'
'Huang, Zeming'
'Zhu, Shan'
'Wang, Ruru'
'Yue, Wenrun'
'Mu, Xiaolong'
_publ_section_title
;
 Synthesis, characterization, and reactivity of dinuclear
 organo-rare-earth-metal alkyl complexes supported by
 2-amidate-functionalized indolyl ligands: substituent effects on
 coordination and reactivity.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5230
_journal_page_last               5242
_journal_paper_doi               10.1039/c9dt00507b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C62 H90 Er2 N4 O6 Si2'
_chemical_formula_sum            'C62 H90 Er2 N4 O6 Si2'
_chemical_formula_weight         1378.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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     dual
_audit_creation_date             2018-03-26
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2018-03-27 deposited with the CCDC.    2019-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 118.215(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.328(5)
_cell_length_b                   14.9950(19)
_cell_length_c                   22.623(4)
_cell_measurement_reflns_used    9957
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.20
_cell_volume                     9066(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293.15
_diffrn_measured_fraction_theta_full 0.998
_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_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_av_unetI/netI     0.0430
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            36649
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.553
_diffrn_reflns_theta_min         1.524
_exptl_absorpt_coefficient_mu    1.900
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.010
_exptl_crystal_description       block
_exptl_crystal_F_000             2808
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.235
_refine_diff_density_min         -0.944
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         10241
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0416P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0808
_refine_ls_wR_factor_ref         0.0876
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6978
_reflns_number_total             10241
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00507b2.cif
_cod_data_source_block           2d
_cod_depositor_comments
'Adding full bibliography for 7049263--7049284.cif.'
_cod_database_code               7049281
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.702
_shelx_estimated_absorpt_t_min   0.669
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C29, C30, C31
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
3. Uiso/Uaniso restraints and constraints
C29 \\sim C30 \\sim C31: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C29) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C31) \\sim Ueq: with sigma of
0.02 and sigma for terminal atoms of 0.04
4.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,
 H27B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C6(H6), C7(H7), C12(H12), C13(H13), C14(H14), C15(H15)
4.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C21(H21A,H21B,
 H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.22201(13) 0.4440(2) 0.04048(17) 0.0473(8) Uani 1 1 d . .
C2 C 0.20118(15) 0.5244(2) 0.04253(18) 0.0605(10) Uani 1 1 d . .
H2 H 0.196912 0.573767 0.015427 0.073 Uiso 1 1 calc R .
C3 C 0.18759(15) 0.5174(2) 0.09369(18) 0.0576(9) Uani 1 1 d . .
C4 C 0.16445(17) 0.5750(3) 0.1202(2) 0.0752(12) Uani 1 1 d . .
H4 H 0.154235 0.631831 0.102480 0.090 Uiso 1 1 calc R .
C5 C 0.15732(18) 0.5460(3) 0.1724(2) 0.0830(14) Uani 1 1 d . .
H5 H 0.141620 0.583371 0.189540 0.100 Uiso 1 1 calc R .
C6 C 0.17319(18) 0.4611(3) 0.2006(2) 0.0784(13) Uani 1 1 d . .
H6 H 0.169118 0.443984 0.237228 0.094 Uiso 1 1 calc R .
C7 C 0.19438(16) 0.4039(3) 0.1750(2) 0.0662(11) Uani 1 1 d . .
H7 H 0.203984 0.347109 0.193168 0.079 Uiso 1 1 calc R .
C8 C 0.20172(14) 0.4311(2) 0.12089(17) 0.0516(9) Uani 1 1 d . .
C9 C 0.24352(12) 0.4099(2) -0.00092(15) 0.0468(8) Uani 1 1 d . .
C10 C 0.22464(19) 0.5274(2) -0.0789(2) 0.0649(11) Uani 1 1 d . .
C11 C 0.2525(2) 0.6069(3) -0.0689(2) 0.0751(13) Uani 1 1 d . .
C12 C 0.2247(3) 0.6820(3) -0.1020(3) 0.110(2) Uani 1 1 d . .
H12 H 0.241746 0.735689 -0.095810 0.132 Uiso 1 1 calc R .
C13 C 0.1751(3) 0.6821(4) -0.1423(3) 0.121(2) Uani 1 1 d . .
H13 H 0.158882 0.734481 -0.163442 0.146 Uiso 1 1 calc R .
C14 C 0.1479(2) 0.6041(4) -0.1524(2) 0.1026(18) Uani 1 1 d . .
H14 H 0.113381 0.603058 -0.179755 0.123 Uiso 1 1 calc R .
C15 C 0.17415(19) 0.5270(3) -0.1200(2) 0.0757(12) Uani 1 1 d . .
H15 H 0.156680 0.473750 -0.126713 0.091 Uiso 1 1 calc R .
C16 C 0.3082(2) 0.6120(3) -0.0267(3) 0.0927(16) Uani 1 1 d . .
C17 C 0.3254(2) 0.5849(3) 0.0474(2) 0.0951(15) Uani 1 1 d . .
H17A H 0.309672 0.622983 0.065992 0.143 Uiso 1 1 calc GR .
H17B H 0.361107 0.590767 0.073017 0.143 Uiso 1 1 calc GR .
H17C H 0.316099 0.524060 0.048970 0.143 Uiso 1 1 calc GR .
C18 C 0.3299(3) 0.7062(4) -0.0234(3) 0.141(3) Uani 1 1 d . .
H18A H 0.322452 0.724970 -0.067756 0.211 Uiso 1 1 calc GR .
H18B H 0.365472 0.705013 0.004723 0.211 Uiso 1 1 calc GR .
H18C H 0.315126 0.747243 -0.005250 0.211 Uiso 1 1 calc GR .
C19 C 0.3345(2) 0.5504(3) -0.0554(3) 0.114(2) Uani 1 1 d . .
H19A H 0.324053 0.489881 -0.055684 0.171 Uiso 1 1 calc GR .
H19B H 0.370111 0.554588 -0.027903 0.171 Uiso 1 1 calc GR .
H19C H 0.325644 0.568473 -0.100333 0.171 Uiso 1 1 calc GR .
C20 C 0.32365(14) 0.2213(2) 0.16328(18) 0.0551(9) Uani 1 1 d . .
H20A H 0.324928 0.165731 0.185946 0.066 Uiso 1 1 calc R .
H20B H 0.343525 0.211996 0.140546 0.066 Uiso 1 1 calc R .
C21 C 0.4272(2) 0.2721(4) 0.2813(3) 0.129(2) Uani 1 1 d . .
H21A H 0.430316 0.215881 0.303223 0.194 Uiso 1 1 calc GR .
H21B H 0.444015 0.317472 0.314292 0.194 Uiso 1 1 calc GR .
H21C H 0.442152 0.267734 0.252201 0.194 Uiso 1 1 calc GR .
C22 C 0.35586(19) 0.4175(3) 0.1970(2) 0.0894(14) Uani 1 1 d . .
H22A H 0.371895 0.418534 0.169188 0.134 Uiso 1 1 calc GR .
H22B H 0.372603 0.458069 0.233780 0.134 Uiso 1 1 calc GR .
H22C H 0.321500 0.435057 0.170979 0.134 Uiso 1 1 calc GR .
C23 C 0.3344(2) 0.3103(3) 0.2915(2) 0.0969(16) Uani 1 1 d . .
H23A H 0.299436 0.325097 0.268161 0.145 Uiso 1 1 calc GR .
H23B H 0.352285 0.355904 0.323730 0.145 Uiso 1 1 calc GR .
H23C H 0.338720 0.254205 0.314043 0.145 Uiso 1 1 calc GR .
C24 C 0.15362(17) 0.1747(3) 0.1328(2) 0.0808(12) Uani 1 1 d . .
H24A H 0.132248 0.133165 0.098246 0.097 Uiso 1 1 calc R .
H24B H 0.139240 0.233998 0.121008 0.097 Uiso 1 1 calc R .
C25 C 0.1600(3) 0.1469(5) 0.2007(3) 0.138(3) Uani 1 1 d . .
H25A H 0.161232 0.198945 0.226869 0.166 Uiso 1 1 calc R .
H25B H 0.132352 0.109490 0.195486 0.166 Uiso 1 1 calc R .
C26 C 0.2046(3) 0.1002(6) 0.2320(4) 0.160(3) Uani 1 1 d . .
H26A H 0.197842 0.036674 0.229478 0.192 Uiso 1 1 calc R .
H26B H 0.222639 0.116892 0.278980 0.192 Uiso 1 1 calc R .
C27 C 0.23494(19) 0.1200(3) 0.1995(2) 0.0905(15) Uani 1 1 d . .
H27A H 0.264744 0.152807 0.229620 0.109 Uiso 1 1 calc R .
H27B H 0.245017 0.065376 0.186259 0.109 Uiso 1 1 calc R .
C28 C 0.12275(18) 0.1661(3) -0.0465(2) 0.0882(14) Uani 1 1 d . .
H28A H 0.124687 0.113638 -0.020274 0.106 Uiso 1 1 calc R .
H28B H 0.137874 0.152203 -0.074738 0.106 Uiso 1 1 calc R .
C29 C 0.0709(2) 0.1926(5) -0.0874(4) 0.158(3) Uani 1 1 d . U
H29A H 0.062365 0.192972 -0.134471 0.190 Uiso 1 1 calc R .
H29B H 0.048779 0.151246 -0.081240 0.190 Uiso 1 1 calc R .
C30 C 0.0659(3) 0.2780(5) -0.0668(4) 0.163(3) Uani 1 1 d . U
H30A H 0.044889 0.275568 -0.045150 0.196 Uiso 1 1 calc R .
H30B H 0.049893 0.316790 -0.105537 0.196 Uiso 1 1 calc R .
C31 C 0.11420(18) 0.3133(3) -0.0208(3) 0.0982(15) Uani 1 1 d . U
H31A H 0.113723 0.337603 0.018658 0.118 Uiso 1 1 calc R .
H31B H 0.123798 0.360224 -0.041957 0.118 Uiso 1 1 calc R .
Er1 Er 0.23901(2) 0.23459(2) 0.07594(2) 0.04413(6) Uani 1 1 d . .
N1 N 0.22246(11) 0.38413(17) 0.08780(13) 0.0491(7) Uani 1 1 d . .
N2 N 0.24806(12) 0.44414(17) -0.04993(14) 0.0534(7) Uani 1 1 d . .
O1 O 0.26155(9) 0.32771(13) 0.01569(11) 0.0493(6) Uani 1 1 d . .
O2 O 0.20378(10) 0.17344(16) 0.14104(13) 0.0631(7) Uani 1 1 d . .
O3 O 0.14854(10) 0.23962(16) -0.00274(14) 0.0636(7) Uani 1 1 d . .
Si1 Si 0.35892(5) 0.30174(8) 0.23022(6) 0.0664(3) Uani 1 1 d . .
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'
O O 0.0106 0.0060 '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
_geom_angle_site_symmetry_3
C2 C1 C9 132.8(3) . .
C2 C1 N1 112.2(3) . .
N1 C1 C9 115.0(3) . .
C1 C2 H2 126.8 . .
C1 C2 C3 106.3(3) . .
C3 C2 H2 126.8 . .
C2 C3 C4 134.6(3) . .
C2 C3 C8 106.3(3) . .
C8 C3 C4 119.0(3) . .
C3 C4 H4 120.5 . .
C5 C4 C3 119.0(4) . .
C5 C4 H4 120.5 . .
C4 C5 H5 119.3 . .
C4 C5 C6 121.4(4) . .
C6 C5 H5 119.3 . .
C5 C6 H6 119.6 . .
C7 C6 C5 120.7(4) . .
C7 C6 H6 119.6 . .
C6 C7 H7 120.3 . .
C6 C7 C8 119.4(4) . .
C8 C7 H7 120.3 . .
C7 C8 C3 120.4(3) . .
N1 C8 C3 110.8(3) . .
N1 C8 C7 128.8(3) . .
C1 C9 Er1 151.6(2) . 7
N2 C9 C1 132.4(3) . .
N2 C9 Er1 71.08(17) . 7
N2 C9 O1 114.6(3) . .
O1 C9 C1 113.0(3) . .
O1 C9 Er1 47.12(13) . 7
C11 C10 N2 122.1(4) . .
C15 C10 C11 120.4(4) . .
C15 C10 N2 117.5(4) . .
C10 C11 C16 123.6(4) . .
C12 C11 C10 115.5(5) . .
C12 C11 C16 120.9(5) . .
C11 C12 H12 117.8 . .
C13 C12 C11 124.4(6) . .
C13 C12 H12 117.8 . .
C12 C13 H13 120.0 . .
C12 C13 C14 120.0(6) . .
C14 C13 H13 120.0 . .
C13 C14 H14 121.2 . .
C13 C14 C15 117.6(6) . .
C15 C14 H14 121.2 . .
C10 C15 C14 122.1(5) . .
C10 C15 H15 119.0 . .
C14 C15 H15 119.0 . .
C11 C16 C17 112.0(4) . .
C11 C16 C18 113.7(5) . .
C11 C16 C19 110.5(4) . .
C18 C16 C17 105.6(4) . .
C18 C16 C19 106.0(4) . .
C19 C16 C17 108.6(5) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C16 C19 H19A 109.5 . .
C16 C19 H19B 109.5 . .
C16 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
H20A C20 H20B 106.1 . .
Er1 C20 H20A 105.5 . .
Er1 C20 H20B 105.5 . .
Si1 C20 H20A 105.5 . .
Si1 C20 H20B 105.5 . .
Si1 C20 Er1 127.32(18) . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
Si1 C21 H21A 109.5 . .
Si1 C21 H21B 109.5 . .
Si1 C21 H21C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
Si1 C22 H22A 109.5 . .
Si1 C22 H22B 109.5 . .
Si1 C22 H22C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
Si1 C23 H23A 109.5 . .
Si1 C23 H23B 109.5 . .
Si1 C23 H23C 109.5 . .
H24A C24 H24B 109.0 . .
C25 C24 H24A 110.9 . .
C25 C24 H24B 110.9 . .
O2 C24 H24A 110.9 . .
O2 C24 H24B 110.9 . .
O2 C24 C25 104.1(4) . .
C24 C25 H25A 110.4 . .
C24 C25 H25B 110.4 . .
H25A C25 H25B 108.6 . .
C26 C25 C24 106.6(5) . .
C26 C25 H25A 110.4 . .
C26 C25 H25B 110.4 . .
C25 C26 H26A 109.8 . .
C25 C26 H26B 109.8 . .
C25 C26 C27 109.6(5) . .
H26A C26 H26B 108.2 . .
C27 C26 H26A 109.8 . .
C27 C26 H26B 109.8 . .
C26 C27 H27A 110.5 . .
C26 C27 H27B 110.5 . .
H27A C27 H27B 108.7 . .
O2 C27 C26 106.2(4) . .
O2 C27 H27A 110.5 . .
O2 C27 H27B 110.5 . .
H28A C28 H28B 108.5 . .
C29 C28 H28A 110.2 . .
C29 C28 H28B 110.2 . .
O3 C28 H28A 110.2 . .
O3 C28 H28B 110.2 . .
O3 C28 C29 107.6(4) . .
C28 C29 H29A 110.3 . .
C28 C29 H29B 110.3 . .
H29A C29 H29B 108.6 . .
C30 C29 C28 107.1(5) . .
C30 C29 H29A 110.3 . .
C30 C29 H29B 110.3 . .
C29 C30 H30A 109.6 . .
C29 C30 H30B 109.6 . .
C29 C30 C31 110.2(6) . .
H30A C30 H30B 108.1 . .
C31 C30 H30A 109.6 . .
C31 C30 H30B 109.6 . .
C30 C31 H31A 110.5 . .
C30 C31 H31B 110.5 . .
C30 C31 O3 106.0(4) . .
H31A C31 H31B 108.7 . .
O3 C31 H31A 110.5 . .
O3 C31 H31B 110.5 . .
C9 Er1 Er1 54.35(6) 7 7
C20 Er1 C9 89.99(11) . 7
C20 Er1 Er1 100.21(9) . 7
C20 Er1 N2 83.83(10) . 7
C20 Er1 O3 172.08(11) . .
N1 Er1 C9 151.16(8) . 7
N1 Er1 C20 100.90(11) . .
N1 Er1 Er1 97.18(6) . 7
N1 Er1 N2 174.90(9) . 7
N1 Er1 O2 96.61(9) . .
N1 Er1 O3 80.08(9) . .
N2 Er1 C9 25.66(7) 7 7
N2 Er1 Er1 80.00(5) 7 7
O1 Er1 C9 25.44(8) 7 7
O1 Er1 C9 85.38(8) . 7
O1 Er1 C20 105.20(11) 7 .
O1 Er1 C20 92.11(11) . .
O1 Er1 Er1 32.58(5) 7 7
O1 Er1 Er1 32.50(5) . 7
O1 Er1 N1 126.18(8) 7 .
O1 Er1 N1 67.75(8) . .
O1 Er1 N2 49.98(7) 7 7
O1 Er1 N2 110.44(7) . 7
O1 Er1 O1 65.08(9) 7 .
O1 Er1 O2 163.97(8) . .
O1 Er1 O2 126.66(8) 7 .
O1 Er1 O3 95.50(9) . .
O1 Er1 O3 80.08(9) 7 .
O2 Er1 C9 109.20(8) . 7
O2 Er1 C20 94.43(11) . .
O2 Er1 Er1 157.57(6) . 7
O2 Er1 N2 84.83(8) . 7
O2 Er1 O3 77.65(9) . .
O3 Er1 C9 92.77(9) . 7
O3 Er1 Er1 87.41(7) . 7
O3 Er1 N2 95.50(9) . 7
C1 N1 Er1 117.01(19) . .
C8 N1 C1 104.3(3) . .
C8 N1 Er1 136.9(2) . .
C9 N2 C10 120.7(3) . .
C9 N2 Er1 83.26(18) . 7
C10 N2 Er1 145.4(2) . 7
C9 O1 Er1 122.67(18) . .
C9 O1 Er1 107.44(18) . 7
Er1 O1 Er1 114.92(9) 7 .
C24 O2 C27 108.6(3) . .
C24 O2 Er1 132.1(2) . .
C27 O2 Er1 119.2(2) . .
C28 O3 Er1 122.0(3) . .
C31 O3 C28 107.9(4) . .
C31 O3 Er1 129.6(3) . .
C20 Si1 C21 113.2(2) . .
C20 Si1 C22 112.23(19) . .
C20 Si1 C23 112.2(2) . .
C22 Si1 C21 107.2(3) . .
C23 Si1 C21 105.7(3) . .
C23 Si1 C22 105.9(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.373(4) .
C1 C9 1.463(4) .
C1 N1 1.392(4) .
C2 H2 0.9300 .
C2 C3 1.404(5) .
C3 C4 1.413(5) .
C3 C8 1.411(5) .
C4 H4 0.9300 .
C4 C5 1.368(5) .
C5 H5 0.9300 .
C5 C6 1.403(6) .
C6 H6 0.9300 .
C6 C7 1.355(5) .
C7 H7 0.9300 .
C7 C8 1.405(5) .
C8 N1 1.377(4) .
C9 Er1 2.951(3) 7
C9 N2 1.287(4) .
C9 O1 1.329(4) .
C10 C11 1.416(6) .
C10 C15 1.365(6) .
C10 N2 1.433(4) .
C11 C12 1.395(7) .
C11 C16 1.499(7) .
C12 H12 0.9300 .
C12 C13 1.342(9) .
C13 H13 0.9300 .
C13 C14 1.387(9) .
C14 H14 0.9300 .
C14 C15 1.399(6) .
C15 H15 0.9300 .
C16 C17 1.557(6) .
C16 C18 1.545(6) .
C16 C19 1.548(7) .
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 0.9700 .
C20 H20B 0.9700 .
C20 Er1 2.395(4) .
C20 Si1 1.833(4) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C21 Si1 1.888(6) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C22 Si1 1.876(4) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C23 Si1 1.862(5) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 C25 1.512(6) .
C24 O2 1.443(5) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C25 C26 1.385(8) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C26 C27 1.454(6) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C27 O2 1.450(5) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28 C29 1.454(7) .
C28 O3 1.440(5) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 C30 1.395(9) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 C31 1.439(8) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C31 O3 1.439(5) .
Er1 Er1 3.8249(6) 7
Er1 N1 2.341(3) .
Er1 N2 2.811(3) 7
Er1 O1 2.266(2) 7
Er1 O1 2.2708(19) .
Er1 O2 2.375(2) .
Er1 O3 2.467(3) .
