#------------------------------------------------------------------------------
#$Date: 2018-09-02 05:11:07 +0300 (Sun, 02 Sep 2018) $
#$Revision: 210350 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/19/4301948.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_4301948
loop_
_publ_author_name
'Norton, Kieran'
'Kumar, G. A.'
'Dilks, Jennifer L.'
'Emge, Thomas J.'
'Riman, Richard E.'
'Brik, Mikhail G.'
'Brennan, John G.'
_publ_section_title
;
 Lanthanide Compounds with Fluorinated Aryloxide Ligands: Near-Infrared
 Emission from Nd, Tm, and Er
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3573
_journal_page_last               3580
_journal_paper_doi               10.1021/ic8020639
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C26 H20 Er F15 O7'
_chemical_formula_weight         896.68
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 96.483(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3977(7)
_cell_length_b                   12.7197(8)
_cell_length_c                   23.4256(15)
_cell_measurement_reflns_used    9101
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.56
_cell_measurement_theta_min      2.37
_cell_volume                     3078.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      100(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  0.0210
_diffrn_reflns_av_sigmaI/netI    0.0193
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            37033
_diffrn_reflns_theta_full        30.55
_diffrn_reflns_theta_max         30.55
_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.860
_exptl_absorpt_correction_T_max  0.9999
_exptl_absorpt_correction_T_min  0.7923
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SAINT (SADABS)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.935
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lathe
_exptl_crystal_F_000             1740
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.12
_refine_diff_density_max         5.302
_refine_diff_density_min         -2.721
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         9404
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0330P)²+10.9000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0798
_reflns_number_gt                8596
_reflns_number_total             9404
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8020639_si_006.cif
_cod_data_source_block           erocfdme
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4301948
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Er1 Er 0.818994(11) 0.302888(9) 0.567022(5) 0.01839(4) Uani 1 1 d . . .
O1 O 0.9737(2) 0.38675(18) 0.61595(10) 0.0289(5) Uani 1 1 d . . .
F1 F 0.8572(2) 0.5127(2) 0.69063(10) 0.0420(5) Uani 1 1 d . . .
F2 F 0.9990(3) 0.63946(19) 0.76486(10) 0.0464(6) Uani 1 1 d . . .
F3 F 1.2630(2) 0.63612(19) 0.77307(9) 0.0439(6) Uani 1 1 d . . .
F4 F 1.38075(19) 0.5080(2) 0.70236(9) 0.0397(5) Uani 1 1 d . . .
F5 F 1.2413(2) 0.38686(19) 0.62427(9) 0.0374(5) Uani 1 1 d . . .
C1 C 1.0427(3) 0.4465(2) 0.65322(12) 0.0215(5) Uani 1 1 d . . .
C2 C 0.9872(3) 0.5123(2) 0.69154(14) 0.0258(6) Uani 1 1 d . . .
C3 C 1.0588(3) 0.5761(3) 0.73061(14) 0.0286(6) Uani 1 1 d . . .
C4 C 1.1921(3) 0.5746(3) 0.73480(13) 0.0285(6) Uani 1 1 d . . .
C5 C 1.2510(3) 0.5101(3) 0.69848(12) 0.0261(6) Uani 1 1 d . . .
C6 C 1.1783(3) 0.4486(2) 0.65866(12) 0.0236(5) Uani 1 1 d . . .
O2 O 0.6655(2) 0.19332(16) 0.53605(10) 0.0245(4) Uani 1 1 d . . .
F6 F 0.78068(19) 0.04372(16) 0.47481(9) 0.0343(5) Uani 1 1 d . . .
F7 F 0.6489(2) -0.04961(17) 0.38230(10) 0.0390(5) Uani 1 1 d . . .
F8 F 0.3970(2) 0.00195(18) 0.34933(9) 0.0387(5) Uani 1 1 d . . .
F9 F 0.27739(19) 0.14589(19) 0.41217(10) 0.0397(5) Uani 1 1 d . . .
F10 F 0.40708(18) 0.23832(16) 0.50458(9) 0.0309(4) Uani 1 1 d . . .
C7 C 0.5997(3) 0.1448(2) 0.49311(12) 0.0206(5) Uani 1 1 d . . .
C8 C 0.6549(3) 0.0682(2) 0.46044(13) 0.0234(5) Uani 1 1 d . . .
C9 C 0.5887(3) 0.0204(2) 0.41287(14) 0.0259(6) Uani 1 1 d . . .
C10 C 0.4608(3) 0.0462(2) 0.39625(13) 0.0261(6) Uani 1 1 d . . .
C11 C 0.4017(3) 0.1190(3) 0.42797(14) 0.0253(6) Uani 1 1 d . . .
C12 C 0.4687(3) 0.1661(2) 0.47536(13) 0.0219(5) Uani 1 1 d . . .
O3 O 0.8703(2) 0.32005(16) 0.47968(9) 0.0225(4) Uani 1 1 d . . .
F11 F 1.00295(19) 0.19517(18) 0.40871(10) 0.0376(5) Uani 1 1 d . . .
F12 F 0.8831(2) 0.1200(2) 0.30963(10) 0.0451(6) Uani 1 1 d . . .
F13 F 0.6302(2) 0.16832(18) 0.27541(9) 0.0388(5) Uani 1 1 d . . .
F14 F 0.50086(19) 0.29811(16) 0.34182(9) 0.0311(4) Uani 1 1 d . . .
F15 F 0.61960(17) 0.37387(15) 0.44145(8) 0.0269(4) Uani 1 1 d . . .
C13 C 0.8156(3) 0.2874(2) 0.42970(12) 0.0203(5) Uani 1 1 d . . .
C14 C 0.8792(3) 0.2231(3) 0.39290(14) 0.0255(6) Uani 1 1 d . . .
C15 C 0.8181(3) 0.1835(3) 0.34196(15) 0.0299(6) Uani 1 1 d . . .
C16 C 0.6904(3) 0.2079(2) 0.32465(14) 0.0280(6) Uani 1 1 d . . .
C17 C 0.6255(3) 0.2737(2) 0.35809(13) 0.0237(5) Uani 1 1 d . . .
C18 C 0.6876(3) 0.3127(2) 0.40875(12) 0.0206(5) Uani 1 1 d . . .
O4 O 0.7461(2) 0.47742(16) 0.54353(10) 0.0236(4) Uani 1 1 d . . .
O5 O 0.6426(2) 0.35946(17) 0.61907(9) 0.0261(4) Uani 1 1 d . . .
C19 C 0.8284(3) 0.5511(3) 0.51865(18) 0.0357(8) Uani 1 1 d . . .
H19A H 0.7751 0.6049 0.4974 0.054 Uiso 1 1 calc R . .
H19B H 0.8797 0.5141 0.4924 0.054 Uiso 1 1 calc R . .
H19C H 0.8865 0.5846 0.5492 0.054 Uiso 1 1 calc R . .
C20 C 0.6597(3) 0.5286(2) 0.57791(13) 0.0265(6) Uani 1 1 d . . .
H20A H 0.6122 0.5856 0.5559 0.032 Uiso 1 1 calc R . .
H20B H 0.7083 0.5593 0.6127 0.032 Uiso 1 1 calc R . .
C21 C 0.5678(3) 0.4468(3) 0.59414(15) 0.0314(7) Uani 1 1 d . . .
H21A H 0.5129 0.4758 0.6222 0.038 Uiso 1 1 calc R . .
H21B H 0.5109 0.4234 0.5597 0.038 Uiso 1 1 calc R . .
C22 C 0.5581(4) 0.2861(3) 0.64388(17) 0.0382(8) Uani 1 1 d . . .
H22A H 0.5230 0.3192 0.6766 0.057 Uiso 1 1 calc R . .
H22B H 0.6072 0.2232 0.6570 0.057 Uiso 1 1 calc R . .
H22C H 0.4868 0.2663 0.6149 0.057 Uiso 1 1 calc R . .
O6 O 0.8352(2) 0.1855(2) 0.64847(11) 0.0334(5) Uani 1 1 d . . .
O7 O 0.9851(2) 0.16979(18) 0.56352(10) 0.0306(5) Uani 1 1 d . . .
C23 C 0.8846(5) 0.2138(4) 0.70483(18) 0.0540(12) Uani 1 1 d . . .
H23A H 0.8719 0.1556 0.7310 0.081 Uiso 1 1 calc R . .
H23B H 0.8390 0.2763 0.7166 0.081 Uiso 1 1 calc R . .
H23C H 0.9772 0.2293 0.7061 0.081 Uiso 1 1 calc R . .
C24 C 0.8808(4) 0.0816(3) 0.62984(17) 0.0358(7) Uani 1 1 d . . .
H24A H 0.8903 0.0329 0.6630 0.043 Uiso 1 1 calc R . .
H24B H 0.8157 0.0516 0.6002 0.043 Uiso 1 1 calc R . .
C25 C 1.0052(4) 0.0914(3) 0.60647(17) 0.0388(8) Uani 1 1 d . . .
H25A H 1.0742 0.1127 0.6368 0.047 Uiso 1 1 calc R . .
H25B H 1.0300 0.0239 0.5897 0.047 Uiso 1 1 calc R . .
C26 C 1.1051(3) 0.1925(3) 0.53960(18) 0.0360(7) Uani 1 1 d . . .
H26A H 1.1723 0.2113 0.5707 0.054 Uiso 1 1 calc R . .
H26B H 1.0915 0.2512 0.5125 0.054 Uiso 1 1 calc R . .
H26C H 1.1325 0.1302 0.5195 0.054 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
O1 Er1 O2 165.92(9) . . ?
O1 Er1 O3 101.70(8) . . ?
O2 Er1 O3 89.95(8) . . ?
O1 Er1 O4 81.99(8) . . ?
O2 Er1 O4 108.43(8) . . ?
O3 Er1 O4 78.23(7) . . ?
O1 Er1 O6 84.50(9) . . ?
O2 Er1 O6 81.43(8) . . ?
O3 Er1 O6 143.15(9) . . ?
O4 Er1 O6 138.47(8) . . ?
O1 Er1 O5 98.49(9) . . ?
O2 Er1 O5 77.89(8) . . ?
O3 Er1 O5 136.12(7) . . ?
O4 Er1 O5 66.53(7) . . ?
O6 Er1 O5 77.01(8) . . ?
O1 Er1 O7 82.62(9) . . ?
O2 Er1 O7 92.28(8) . . ?
O3 Er1 O7 77.75(8) . . ?
O4 Er1 O7 148.07(8) . . ?
O6 Er1 O7 66.97(9) . . ?
O5 Er1 O7 143.72(8) . . ?
C1 O1 Er1 164.7(2) . . ?
O1 C1 C2 122.8(3) . . ?
O1 C1 C6 122.8(3) . . ?
C2 C1 C6 114.5(3) . . ?
F1 C2 C3 118.3(3) . . ?
F1 C2 C1 118.5(3) . . ?
C3 C2 C1 123.2(3) . . ?
F2 C3 C2 120.0(3) . . ?
F2 C3 C4 119.8(3) . . ?
C2 C3 C4 120.2(3) . . ?
F3 C4 C5 120.7(3) . . ?
F3 C4 C3 120.7(3) . . ?
C5 C4 C3 118.6(3) . . ?
F4 C5 C4 118.9(3) . . ?
F4 C5 C6 120.4(3) . . ?
C4 C5 C6 120.7(3) . . ?
F5 C6 C5 118.0(3) . . ?
F5 C6 C1 119.2(3) . . ?
C5 C6 C1 122.8(3) . . ?
C7 O2 Er1 149.2(2) . . ?
O2 C7 C8 122.5(3) . . ?
O2 C7 C12 122.9(3) . . ?
C8 C7 C12 114.6(3) . . ?
F6 C8 C9 118.7(3) . . ?
F6 C8 C7 118.0(3) . . ?
C9 C8 C7 123.3(3) . . ?
F7 C9 C8 120.2(3) . . ?
F7 C9 C10 120.0(3) . . ?
C8 C9 C10 119.9(3) . . ?
F8 C10 C11 121.0(3) . . ?
F8 C10 C9 120.1(3) . . ?
C11 C10 C9 118.8(3) . . ?
F9 C11 C10 119.7(3) . . ?
F9 C11 C12 119.5(3) . . ?
C10 C11 C12 120.8(3) . . ?
F10 C12 C11 118.5(3) . . ?
F10 C12 C7 118.8(3) . . ?
C11 C12 C7 122.6(3) . . ?
C13 O3 Er1 132.74(19) . . ?
O3 C13 C18 122.6(3) . . ?
O3 C13 C14 123.1(3) . . ?
C18 C13 C14 114.3(3) . . ?
F11 C14 C15 118.3(3) . . ?
F11 C14 C13 119.1(3) . . ?
C15 C14 C13 122.6(3) . . ?
F12 C15 C16 120.0(3) . . ?
F12 C15 C14 119.7(3) . . ?
C16 C15 C14 120.4(3) . . ?
F13 C16 C17 120.4(3) . . ?
F13 C16 C15 120.4(3) . . ?
C17 C16 C15 119.2(3) . . ?
F14 C17 C16 119.9(3) . . ?
F14 C17 C18 120.2(3) . . ?
C16 C17 C18 119.8(3) . . ?
F15 C18 C17 118.2(3) . . ?
F15 C18 C13 118.1(2) . . ?
C17 C18 C13 123.5(3) . . ?
C20 O4 C19 111.9(2) . . ?
C20 O4 Er1 119.76(17) . . ?
C19 O4 Er1 120.78(18) . . ?
C21 O5 C22 109.6(3) . . ?
C21 O5 Er1 115.44(17) . . ?
C22 O5 Er1 122.61(19) . . ?
O4 C20 C21 106.7(3) . . ?
O5 C21 C20 108.0(3) . . ?
C23 O6 C24 114.1(3) . . ?
C23 O6 Er1 124.7(3) . . ?
C24 O6 Er1 108.3(2) . . ?
C25 O7 C26 110.5(3) . . ?
C25 O7 Er1 121.1(2) . . ?
C26 O7 Er1 121.32(19) . . ?
C25 C24 O6 111.0(3) . . ?
O7 C25 C24 105.1(3) . . ?
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 O1 2.150(2) . ?
Er1 O2 2.180(2) . ?
Er1 O3 2.183(2) . ?
Er1 O4 2.390(2) . ?
Er1 O6 2.413(2) . ?
Er1 O5 2.423(2) . ?
Er1 O7 2.426(2) . ?
O1 C1 1.309(3) . ?
F1 C2 1.350(4) . ?
F2 C3 1.339(4) . ?
F3 C4 1.345(3) . ?
F4 C5 1.343(4) . ?
F5 C6 1.347(4) . ?
C1 C2 1.398(4) . ?
C1 C6 1.402(4) . ?
C2 C3 1.377(4) . ?
C3 C4 1.378(5) . ?
C4 C5 1.375(5) . ?
C5 C6 1.376(4) . ?
O2 C7 1.306(3) . ?
F6 C8 1.349(3) . ?
F7 C9 1.341(4) . ?
F8 C10 1.342(3) . ?
F9 C11 1.348(3) . ?
F10 C12 1.350(3) . ?
C7 C8 1.402(4) . ?
C7 C12 1.405(4) . ?
C8 C9 1.383(4) . ?
C9 C10 1.383(4) . ?
C10 C11 1.375(5) . ?
C11 C12 1.379(4) . ?
O3 C13 1.310(3) . ?
F11 C14 1.346(3) . ?
F12 C15 1.341(4) . ?
F13 C16 1.346(4) . ?
F14 C17 1.345(3) . ?
F15 C18 1.347(3) . ?
C13 C18 1.404(4) . ?
C13 C14 1.406(4) . ?
C14 C15 1.382(5) . ?
C15 C16 1.379(5) . ?
C16 C17 1.374(4) . ?
C17 C18 1.378(4) . ?
O4 C20 1.429(4) . ?
O4 C19 1.436(4) . ?
O5 C21 1.441(4) . ?
O5 C22 1.448(4) . ?
C20 C21 1.491(5) . ?
O6 C23 1.408(5) . ?
O6 C24 1.487(4) . ?
O7 C25 1.416(4) . ?
O7 C26 1.453(5) . ?
C24 C25 1.465(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 Er1 O1 C1 -74.9(9) . . . . ?
O3 Er1 O1 C1 139.9(8) . . . . ?
O4 Er1 O1 C1 63.7(8) . . . . ?
O6 Er1 O1 C1 -76.9(8) . . . . ?
O5 Er1 O1 C1 -1.0(8) . . . . ?
O7 Er1 O1 C1 -144.3(8) . . . . ?
Er1 O1 C1 C2 -7.2(10) . . . . ?
Er1 O1 C1 C6 171.7(6) . . . . ?
O1 C1 C2 F1 1.1(5) . . . . ?
C6 C1 C2 F1 -177.9(3) . . . . ?
O1 C1 C2 C3 -179.5(3) . . . . ?
C6 C1 C2 C3 1.6(4) . . . . ?
F1 C2 C3 F2 -2.6(5) . . . . ?
C1 C2 C3 F2 178.0(3) . . . . ?
F1 C2 C3 C4 177.1(3) . . . . ?
C1 C2 C3 C4 -2.3(5) . . . . ?
F2 C3 C4 F3 0.1(5) . . . . ?
C2 C3 C4 F3 -179.6(3) . . . . ?
F2 C3 C4 C5 -178.9(3) . . . . ?
C2 C3 C4 C5 1.3(5) . . . . ?
F3 C4 C5 F4 1.0(5) . . . . ?
C3 C4 C5 F4 -179.9(3) . . . . ?
F3 C4 C5 C6 -178.9(3) . . . . ?
C3 C4 C5 C6 0.2(5) . . . . ?
F4 C5 C6 F5 0.1(4) . . . . ?
C4 C5 C6 F5 -179.9(3) . . . . ?
F4 C5 C6 C1 179.1(3) . . . . ?
C4 C5 C6 C1 -0.9(5) . . . . ?
O1 C1 C6 F5 0.1(4) . . . . ?
C2 C1 C6 F5 179.1(3) . . . . ?
O1 C1 C6 C5 -178.9(3) . . . . ?
C2 C1 C6 C5 0.1(4) . . . . ?
O1 Er1 O2 C7 -149.7(4) . . . . ?
O3 Er1 O2 C7 -3.6(4) . . . . ?
O4 Er1 O2 C7 73.9(4) . . . . ?
O6 Er1 O2 C7 -147.7(4) . . . . ?
O5 Er1 O2 C7 133.9(4) . . . . ?
O7 Er1 O2 C7 -81.4(4) . . . . ?
Er1 O2 C7 C8 67.5(5) . . . . ?
Er1 O2 C7 C12 -111.5(4) . . . . ?
O2 C7 C8 F6 0.7(4) . . . . ?
C12 C7 C8 F6 179.8(3) . . . . ?
O2 C7 C8 C9 -176.2(3) . . . . ?
C12 C7 C8 C9 2.9(4) . . . . ?
F6 C8 C9 F7 0.7(5) . . . . ?
C7 C8 C9 F7 177.6(3) . . . . ?
F6 C8 C9 C10 -178.2(3) . . . . ?
C7 C8 C9 C10 -1.3(5) . . . . ?
F7 C9 C10 F8 -0.5(5) . . . . ?
C8 C9 C10 F8 178.4(3) . . . . ?
F7 C9 C10 C11 -179.3(3) . . . . ?
C8 C9 C10 C11 -0.5(5) . . . . ?
F8 C10 C11 F9 0.6(5) . . . . ?
C9 C10 C11 F9 179.4(3) . . . . ?
F8 C10 C11 C12 -178.4(3) . . . . ?
C9 C10 C11 C12 0.4(5) . . . . ?
F9 C11 C12 F10 -0.1(4) . . . . ?
C10 C11 C12 F10 178.9(3) . . . . ?
F9 C11 C12 C7 -177.6(3) . . . . ?
C10 C11 C12 C7 1.4(5) . . . . ?
O2 C7 C12 F10 -1.4(4) . . . . ?
C8 C7 C12 F10 179.5(3) . . . . ?
O2 C7 C12 C11 176.2(3) . . . . ?
C8 C7 C12 C11 -2.9(4) . . . . ?
O1 Er1 O3 C13 -179.8(2) . . . . ?
O2 Er1 O3 C13 8.2(2) . . . . ?
O4 Er1 O3 C13 -100.7(2) . . . . ?
O6 Er1 O3 C13 83.7(3) . . . . ?
O5 Er1 O3 C13 -64.2(3) . . . . ?
O7 Er1 O3 C13 100.5(2) . . . . ?
Er1 O3 C13 C18 57.0(4) . . . . ?
Er1 O3 C13 C14 -122.2(3) . . . . ?
O3 C13 C14 F11 -1.5(5) . . . . ?
C18 C13 C14 F11 179.3(3) . . . . ?
O3 C13 C14 C15 175.7(3) . . . . ?
C18 C13 C14 C15 -3.5(5) . . . . ?
F11 C14 C15 F12 -0.7(5) . . . . ?
C13 C14 C15 F12 -178.0(3) . . . . ?
F11 C14 C15 C16 178.4(3) . . . . ?
C13 C14 C15 C16 1.2(5) . . . . ?
F12 C15 C16 F13 0.0(5) . . . . ?
C14 C15 C16 F13 -179.1(3) . . . . ?
F12 C15 C16 C17 -179.6(3) . . . . ?
C14 C15 C16 C17 1.3(5) . . . . ?
F13 C16 C17 F14 0.5(5) . . . . ?
C15 C16 C17 F14 -179.9(3) . . . . ?
F13 C16 C17 C18 179.2(3) . . . . ?
C15 C16 C17 C18 -1.2(5) . . . . ?
F14 C17 C18 F15 1.0(4) . . . . ?
C16 C17 C18 F15 -177.7(3) . . . . ?
F14 C17 C18 C13 177.4(3) . . . . ?
C16 C17 C18 C13 -1.3(5) . . . . ?
O3 C13 C18 F15 0.7(4) . . . . ?
C14 C13 C18 F15 179.9(3) . . . . ?
O3 C13 C18 C17 -175.7(3) . . . . ?
C14 C13 C18 C17 3.6(4) . . . . ?
O1 Er1 O4 C20 -91.6(2) . . . . ?
O2 Er1 O4 C20 78.7(2) . . . . ?
O3 Er1 O4 C20 164.7(2) . . . . ?
O6 Er1 O4 C20 -19.3(3) . . . . ?
O5 Er1 O4 C20 11.4(2) . . . . ?
O7 Er1 O4 C20 -153.4(2) . . . . ?
O1 Er1 O4 C19 55.6(3) . . . . ?
O2 Er1 O4 C19 -134.1(2) . . . . ?
O3 Er1 O4 C19 -48.2(2) . . . . ?
O6 Er1 O4 C19 127.9(2) . . . . ?
O5 Er1 O4 C19 158.6(3) . . . . ?
O7 Er1 O4 C19 -6.2(3) . . . . ?
O1 Er1 O5 C21 96.9(2) . . . . ?
O2 Er1 O5 C21 -96.9(2) . . . . ?
O3 Er1 O5 C21 -19.9(3) . . . . ?
O4 Er1 O5 C21 19.5(2) . . . . ?
O6 Er1 O5 C21 179.2(2) . . . . ?
O7 Er1 O5 C21 -174.0(2) . . . . ?
O1 Er1 O5 C22 -125.0(3) . . . . ?
O2 Er1 O5 C22 41.2(3) . . . . ?
O3 Er1 O5 C22 118.2(3) . . . . ?
O4 Er1 O5 C22 157.6(3) . . . . ?
O6 Er1 O5 C22 -42.7(3) . . . . ?
O7 Er1 O5 C22 -35.9(3) . . . . ?
C19 O4 C20 C21 172.0(3) . . . . ?
Er1 O4 C20 C21 -38.1(3) . . . . ?
C22 O5 C21 C20 170.7(3) . . . . ?
Er1 O5 C21 C20 -46.0(3) . . . . ?
O4 C20 C21 O5 52.3(3) . . . . ?
O1 Er1 O6 C23 24.7(3) . . . . ?
O2 Er1 O6 C23 -154.8(3) . . . . ?
O3 Er1 O6 C23 126.9(3) . . . . ?
O4 Er1 O6 C23 -46.6(4) . . . . ?
O5 Er1 O6 C23 -75.3(3) . . . . ?
O7 Er1 O6 C23 109.1(3) . . . . ?
O1 Er1 O6 C24 -114.0(2) . . . . ?
O2 Er1 O6 C24 66.5(2) . . . . ?
O3 Er1 O6 C24 -11.8(3) . . . . ?
O4 Er1 O6 C24 174.72(18) . . . . ?
O5 Er1 O6 C24 146.0(2) . . . . ?
O7 Er1 O6 C24 -29.64(19) . . . . ?
O1 Er1 O7 C25 89.7(3) . . . . ?
O2 Er1 O7 C25 -77.1(3) . . . . ?
O3 Er1 O7 C25 -166.6(3) . . . . ?
O4 Er1 O7 C25 151.4(2) . . . . ?
O6 Er1 O7 C25 2.6(2) . . . . ?
O5 Er1 O7 C25 -4.6(3) . . . . ?
O1 Er1 O7 C26 -58.0(2) . . . . ?
O2 Er1 O7 C26 135.2(2) . . . . ?
O3 Er1 O7 C26 45.8(2) . . . . ?
O4 Er1 O7 C26 3.8(3) . . . . ?
O6 Er1 O7 C26 -145.1(3) . . . . ?
O5 Er1 O7 C26 -152.3(2) . . . . ?
C23 O6 C24 C25 -85.9(4) . . . . ?
Er1 O6 C24 C25 57.6(3) . . . . ?
C26 O7 C25 C24 175.9(3) . . . . ?
Er1 O7 C25 C24 25.1(4) . . . . ?
O6 C24 C25 O7 -53.4(4) . . . . ?
