#------------------------------------------------------------------------------
#$Date: 2016-10-08 01:08:46 +0300 (Sat, 08 Oct 2016) $
#$Revision: 187087 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/04/7040486.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_7040486
loop_
_publ_author_name
'Li, Chuan-Ti'
'Zhao, Yi-Fan'
'Hu, Huai-Ming'
'Zhao, Hui'
'Wang, Xiaofang'
'Xue, Ganglin'
_publ_section_title
;
 Lanthanide coordination frameworks constructed from
 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline:
 synthesis, crystal structures and luminescence properties.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15436
_journal_paper_doi               10.1039/c6dt02646j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C16 H7 Er O12 S, O0.50, O0.50'
_chemical_formula_sum            'C16 H7 Er O13 S'
_chemical_formula_weight         606.54
_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
_audit_update_record
;
2016-07-01 deposited with the CCDC.
2016-08-25 downloaded from the CCDC.
;
_cell_angle_alpha                110.348(3)
_cell_angle_beta                 94.596(3)
_cell_angle_gamma                94.043(3)
_cell_formula_units_Z            2
_cell_length_a                   5.8366(12)
_cell_length_b                   13.138(3)
_cell_length_c                   13.748(3)
_cell_measurement_reflns_used    2283
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.26
_cell_measurement_theta_min      3.02
_cell_volume                     979.8(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0594
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4857
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.68
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.459
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.056
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             582
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.922
_refine_diff_density_min         -1.504
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         3395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0424
_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)+(0.0803P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1192
_reflns_number_gt                3079
_reflns_number_total             3395
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt02646j2.cif
_cod_data_source_block           nw1947_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7040480--7040491.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7040486
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
Er1 Er 0.62614(5) 0.14001(2) 0.63836(2) 0.01929(15) Uani 1 1 d .
S1 S 0.4653(3) 0.38383(16) 0.24999(14) 0.0248(4) Uani 1 1 d .
O1 O 0.4001(9) 0.0841(5) 0.4828(4) 0.0310(13) Uani 1 1 d .
O2 O 0.1903(10) 0.0033(4) 0.3315(4) 0.0287(12) Uani 1 1 d .
O3 O -0.0883(9) 0.1190(4) 0.5198(4) 0.0237(11) Uani 1 1 d .
O4 O -0.2371(10) 0.2758(4) 0.5716(4) 0.0323(13) Uani 1 1 d .
O5 O -0.0486(10) 0.2406(5) -0.2420(4) 0.0364(14) Uani 1 1 d .
O6 O -0.3231(9) 0.1777(4) -0.1734(4) 0.0254(11) Uani 1 1 d .
O7 O -0.3457(10) 0.4074(5) -0.0731(4) 0.0344(14) Uani 1 1 d .
O8 O -0.2834(10) 0.4982(5) 0.0987(4) 0.0333(13) Uani 1 1 d .
H8 H -0.3753 0.5369 0.0848 0.050 Uiso 1 1 calc R
O9 O 0.6707(10) 0.3298(5) 0.2325(4) 0.0352(14) Uani 1 1 d .
O10 O 0.4819(11) 0.5009(5) 0.2936(5) 0.0372(14) Uani 1 1 d .
C1 C 0.2690(12) 0.0875(6) 0.4070(6) 0.0212(15) Uani 1 1 d .
C2 C 0.2161(12) 0.1958(6) 0.4022(5) 0.0179(14) Uani 1 1 d .
C3 C 0.3475(12) 0.2359(6) 0.3403(6) 0.0216(15) Uani 1 1 d .
H3 H 0.4614 0.1963 0.3058 0.026 Uiso 1 1 calc R
C4 C 0.3080(13) 0.3349(6) 0.3302(5) 0.0232(16) Uani 1 1 d .
C5 C 0.1328(14) 0.3946(6) 0.3798(6) 0.0287(17) Uani 1 1 d .
H5 H 0.1049 0.4603 0.3720 0.034 Uiso 1 1 calc R
C6 C 0.0032(15) 0.3539(6) 0.4401(6) 0.0280(17) Uani 1 1 d .
H6 H -0.1138 0.3925 0.4728 0.034 Uiso 1 1 calc R
C7 C 0.0447(12) 0.2547(6) 0.4534(5) 0.0202(15) Uani 1 1 d .
C8 C -0.1042(12) 0.2157(6) 0.5193(5) 0.0196(15) Uani 1 1 d .
C9 C -0.1326(14) 0.2288(6) -0.1637(6) 0.0262(17) Uani 1 1 d .
C10 C 0.0083(14) 0.2739(7) -0.0589(6) 0.0276(17) Uani 1 1 d .
C11 C 0.2058(15) 0.2208(7) -0.0464(7) 0.035(2) Uani 1 1 d .
H11 H 0.2442 0.1631 -0.1025 0.042 Uiso 1 1 calc R
C12 C 0.3379(14) 0.2533(7) 0.0460(6) 0.0303(18) Uani 1 1 d .
H12 H 0.4653 0.2169 0.0537 0.036 Uiso 1 1 calc R
C13 C 0.2858(13) 0.3405(6) 0.1298(6) 0.0258(16) Uani 1 1 d .
C14 C 0.0967(12) 0.3955(6) 0.1195(5) 0.0232(16) Uani 1 1 d .
H14 H 0.0627 0.4541 0.1759 0.028 Uiso 1 1 calc R
C15 C -0.0406(12) 0.3635(6) 0.0259(6) 0.0227(16) Uani 1 1 d .
C16 C -0.2374(13) 0.4248(6) 0.0128(6) 0.0246(16) Uani 1 1 d .
O11 O 0.2982(9) 0.0500(5) 0.6703(4) 0.0347(13) Uani 1 1 d .
O12 O 0.3875(9) 0.2803(4) 0.6942(4) 0.0316(13) Uani 1 1 d .
O13 O 0.740(4) 0.9919(14) 0.8983(15) 0.102(8) Uani 0.50 1 d P
O14 O 0.221(5) 0.9234(19) 0.833(3) 0.22(2) Uani 0.50 1 d P
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O1 Er1 O11 77.0(2) . .
O1 Er1 O12 86.2(2) . .
O11 Er1 O12 77.7(2) . .
O1 Er1 O2 112.96(19) . 2_656
O11 Er1 O2 83.0(2) . 2_656
O12 Er1 O2 148.9(2) . 2_656
O1 Er1 O5 153.9(2) . 1_656
O11 Er1 O5 128.71(19) . 1_656
O12 Er1 O5 94.1(2) . 1_656
O2 Er1 O5 79.2(2) 2_656 1_656
O1 Er1 O3 78.94(19) . 1_655
O11 Er1 O3 142.52(19) . 1_655
O12 Er1 O3 128.69(19) . 1_655
O2 Er1 O3 80.54(19) 2_656 1_655
O5 Er1 O3 80.54(18) 1_656 1_655
O1 Er1 O4 80.0(2) . 1_655
O11 Er1 O4 144.8(2) . 1_655
O12 Er1 O4 74.42(19) . 1_655
O2 Er1 O4 131.0(2) 2_656 1_655
O5 Er1 O4 74.9(2) 1_656 1_655
O3 Er1 O4 54.80(18) 1_655 1_655
O1 Er1 O6 151.07(19) . 1_656
O11 Er1 O6 75.27(18) . 1_656
O12 Er1 O6 80.18(19) . 1_656
O2 Er1 O6 71.42(18) 2_656 1_656
O5 Er1 O6 53.49(17) 1_656 1_656
O3 Er1 O6 129.16(17) 1_655 1_656
O4 Er1 O6 119.83(18) 1_655 1_656
O1 Er1 C8 78.1(2) . 1_655
O11 Er1 C8 155.0(2) . 1_655
O12 Er1 C8 101.0(2) . 1_655
O2 Er1 C8 106.6(2) 2_656 1_655
O5 Er1 C8 76.21(19) 1_656 1_655
O3 Er1 C8 27.98(19) 1_655 1_655
O4 Er1 C8 26.82(19) 1_655 1_655
O6 Er1 C8 129.46(18) 1_656 1_655
O1 Er1 C9 172.9(2) . 1_656
O11 Er1 C9 101.6(2) . 1_656
O12 Er1 C9 86.7(2) . 1_656
O2 Er1 C9 73.5(2) 2_656 1_656
O5 Er1 C9 27.2(2) 1_656 1_656
O3 Er1 C9 105.6(2) 1_655 1_656
O4 Er1 C9 98.0(2) 1_655 1_656
O6 Er1 C9 26.3(2) 1_656 1_656
C8 Er1 C9 103.3(2) 1_655 1_656
O1 Er1 O1 63.8(2) . 2_656
O11 Er1 O1 70.92(19) . 2_656
O12 Er1 O1 140.40(17) . 2_656
O2 Er1 O1 49.15(16) 2_656 2_656
O5 Er1 O1 124.29(19) 1_656 2_656
O3 Er1 O1 72.81(17) 1_655 2_656
O4 Er1 O1 120.98(17) 1_655 2_656
O6 Er1 O1 113.38(16) 1_656 2_656
C8 Er1 O1 97.56(18) 1_655 2_656
C9 Er1 O1 122.4(2) 1_656 2_656
O1 Er1 C1 88.9(2) . 2_656
O11 Er1 C1 74.7(2) . 2_656
O12 Er1 C1 152.4(2) . 2_656
O2 Er1 C1 24.15(19) 2_656 2_656
O5 Er1 C1 101.9(2) 1_656 2_656
O3 Er1 C1 76.60(18) 1_655 2_656
O4 Er1 C1 131.33(18) 1_655 2_656
O6 Er1 C1 91.47(18) 1_656 2_656
C8 Er1 C1 104.5(2) 1_655 2_656
C9 Er1 C1 97.4(2) 1_656 2_656
O1 Er1 C1 25.05(17) 2_656 2_656
O9 S1 O10 119.9(4) . .
O9 S1 C4 108.8(4) . .
O10 S1 C4 107.0(4) . .
O9 S1 C13 107.8(4) . .
O10 S1 C13 108.0(4) . .
C4 S1 C13 104.2(4) . .
C1 O1 Er1 160.4(5) . .
C1 O1 Er1 83.4(4) . 2_656
Er1 O1 Er1 116.2(2) . 2_656
C1 O2 Er1 105.0(5) . 2_656
C8 O3 Er1 91.2(4) . 1_455
C8 O4 Er1 92.2(4) . 1_455
C9 O5 Er1 93.7(4) . 1_454
C9 O6 Er1 91.8(4) . 1_454
C16 O8 H8 109.5 . .
O2 C1 O1 122.2(7) . .
O2 C1 C2 118.1(6) . .
O1 C1 C2 119.6(6) . .
O2 C1 Er1 50.8(4) . 2_656
O1 C1 Er1 71.5(4) . 2_656
C2 C1 Er1 166.2(5) . 2_656
C7 C2 C3 120.1(6) . .
C7 C2 C1 123.9(6) . .
C3 C2 C1 116.0(6) . .
C4 C3 C2 119.9(7) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 120.8(7) . .
C3 C4 S1 120.3(6) . .
C5 C4 S1 118.8(6) . .
C6 C5 C4 118.7(7) . .
C6 C5 H5 120.7 . .
C4 C5 H5 120.7 . .
C5 C6 C7 121.3(7) . .
C5 C6 H6 119.3 . .
C7 C6 H6 119.3 . .
C2 C7 C6 119.1(7) . .
C2 C7 C8 122.8(6) . .
C6 C7 C8 118.0(7) . .
O4 C8 O3 121.8(7) . .
O4 C8 C7 120.2(6) . .
O3 C8 C7 117.9(6) . .
O4 C8 Er1 61.0(4) . 1_455
O3 C8 Er1 60.9(4) . 1_455
C7 C8 Er1 178.8(5) . 1_455
O6 C9 O5 121.0(7) . .
O6 C9 C10 119.9(7) . .
O5 C9 C10 119.1(7) . .
O6 C9 Er1 61.9(4) . 1_454
O5 C9 Er1 59.1(4) . 1_454
C10 C9 Er1 177.1(6) . 1_454
C15 C10 C11 118.5(7) . .
C15 C10 C9 125.1(7) . .
C11 C10 C9 116.4(7) . .
C12 C11 C10 120.5(8) . .
C12 C11 H11 119.7 . .
C10 C11 H11 119.7 . .
C11 C12 C13 120.5(7) . .
C11 C12 H12 119.7 . .
C13 C12 H12 119.7 . .
C14 C13 C12 120.3(7) . .
C14 C13 S1 119.8(6) . .
C12 C13 S1 119.9(6) . .
C15 C14 C13 120.0(7) . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
C14 C15 C10 120.0(7) . .
C14 C15 C16 120.4(7) . .
C10 C15 C16 119.6(7) . .
O7 C16 O8 123.4(7) . .
O7 C16 C15 122.1(7) . .
O8 C16 C15 114.5(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O1 2.274(5) .
Er1 O11 2.330(6) .
Er1 O12 2.340(5) .
Er1 O2 2.371(5) 2_656
Er1 O5 2.385(6) 1_656
Er1 O3 2.387(5) 1_655
Er1 O4 2.391(6) 1_655
Er1 O6 2.449(5) 1_656
Er1 C8 2.732(7) 1_655
Er1 C9 2.775(7) 1_656
Er1 O1 2.820(6) 2_656
Er1 C1 2.953(7) 2_656
S1 O9 1.430(6) .
S1 O10 1.436(6) .
S1 C4 1.745(8) .
S1 C13 1.771(8) .
O1 C1 1.259(9) .
O1 Er1 2.820(6) 2_656
O2 C1 1.251(9) .
O2 Er1 2.371(5) 2_656
O3 C8 1.282(9) .
O3 Er1 2.387(5) 1_455
O4 C8 1.234(9) .
O4 Er1 2.391(6) 1_455
O5 C9 1.270(10) .
O5 Er1 2.385(6) 1_454
O6 C9 1.230(9) .
O6 Er1 2.449(5) 1_454
O7 C16 1.232(9) .
O8 C16 1.301(9) .
O8 H8 0.8200 .
C1 C2 1.499(10) .
C1 Er1 2.953(7) 2_656
C2 C7 1.392(10) .
C2 C3 1.396(10) .
C3 C4 1.387(11) .
C3 H3 0.9300 .
C4 C5 1.407(11) .
C5 C6 1.378(11) .
C5 H5 0.9300 .
C6 C7 1.411(11) .
C6 H6 0.9300 .
C7 C8 1.492(10) .
C8 Er1 2.732(7) 1_455
C9 C10 1.499(10) .
C9 Er1 2.775(7) 1_454
C10 C15 1.404(11) .
C10 C11 1.418(11) .
C11 C12 1.346(11) .
C11 H11 0.9300 .
C12 C13 1.386(11) .
C12 H12 0.9300 .
C13 C14 1.385(11) .
C14 C15 1.373(10) .
C14 H14 0.9300 .
C15 C16 1.483(11) .
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_4
O11 Er1 O1 C1 108.0(15) . .
O12 Er1 O1 C1 29.7(15) . .
O2 Er1 O1 C1 -175.6(15) 2_656 .
O5 Er1 O1 C1 -62.0(16) 1_656 .
O3 Er1 O1 C1 -100.9(15) 1_655 .
O4 Er1 O1 C1 -45.1(15) 1_655 .
O6 Er1 O1 C1 91.5(15) 1_656 .
C8 Er1 O1 C1 -72.4(15) 1_655 .
C9 Er1 O1 C1 29(3) 1_656 .
O1 Er1 O1 C1 -177.1(16) 2_656 .
C1 Er1 O1 C1 -177.5(14) 2_656 .
O11 Er1 O1 Er1 -74.9(2) . 2_656
O12 Er1 O1 Er1 -153.2(3) . 2_656
O2 Er1 O1 Er1 1.5(3) 2_656 2_656
O5 Er1 O1 Er1 115.1(4) 1_656 2_656
O3 Er1 O1 Er1 76.1(2) 1_655 2_656
O4 Er1 O1 Er1 132.0(3) 1_655 2_656
O6 Er1 O1 Er1 -91.4(4) 1_656 2_656
C8 Er1 O1 Er1 104.7(3) 1_655 2_656
C9 Er1 O1 Er1 -153.5(17) 1_656 2_656
O1 Er1 O1 Er1 0.0 2_656 2_656
C1 Er1 O1 Er1 -0.4(2) 2_656 2_656
Er1 O2 C1 O1 -5.8(8) 2_656 .
Er1 O2 C1 C2 170.1(5) 2_656 .
Er1 O1 C1 O2 -177.9(11) . .
Er1 O1 C1 O2 4.8(7) 2_656 .
Er1 O1 C1 C2 6.2(19) . .
Er1 O1 C1 C2 -171.1(6) 2_656 .
Er1 O1 C1 Er1 177.3(15) . 2_656
O2 C1 C2 C7 100.4(8) . .
O1 C1 C2 C7 -83.5(9) . .
Er1 C1 C2 C7 134.3(18) 2_656 .
O2 C1 C2 C3 -78.3(9) . .
O1 C1 C2 C3 97.8(8) . .
Er1 C1 C2 C3 -44(2) 2_656 .
C7 C2 C3 C4 0.4(10) . .
C1 C2 C3 C4 179.1(6) . .
C2 C3 C4 C5 -1.5(11) . .
C2 C3 C4 S1 -178.1(5) . .
O9 S1 C4 C3 -19.6(7) . .
O10 S1 C4 C3 -150.5(6) . .
C13 S1 C4 C3 95.3(6) . .
O9 S1 C4 C5 163.8(6) . .
O10 S1 C4 C5 32.9(7) . .
C13 S1 C4 C5 -81.3(7) . .
C3 C4 C5 C6 1.1(12) . .
S1 C4 C5 C6 177.7(6) . .
C4 C5 C6 C7 0.5(12) . .
C3 C2 C7 C6 1.2(10) . .
C1 C2 C7 C6 -177.4(7) . .
C3 C2 C7 C8 179.0(6) . .
C1 C2 C7 C8 0.4(11) . .
C5 C6 C7 C2 -1.6(11) . .
C5 C6 C7 C8 -179.6(7) . .
Er1 O4 C8 O3 -0.4(7) 1_455 .
Er1 O4 C8 C7 179.8(6) 1_455 .
Er1 O3 C8 O4 0.4(7) 1_455 .
Er1 O3 C8 C7 -179.8(5) 1_455 .
C2 C7 C8 O4 172.5(6) . .
C6 C7 C8 O4 -9.6(10) . .
C2 C7 C8 O3 -7.3(10) . .
C6 C7 C8 O3 170.6(6) . .
C2 C7 C8 Er1 -14(24) . 1_455
C6 C7 C8 Er1 164(23) . 1_455
Er1 O6 C9 O5 0.0(8) 1_454 .
Er1 O6 C9 C10 -177.3(6) 1_454 .
Er1 O5 C9 O6 0.0(8) 1_454 .
Er1 O5 C9 C10 177.3(6) 1_454 .
O6 C9 C10 C15 -72.2(11) . .
O5 C9 C10 C15 110.4(9) . .
Er1 C9 C10 C15 161(11) 1_454 .
O6 C9 C10 C11 107.9(9) . .
O5 C9 C10 C11 -69.5(10) . .
Er1 C9 C10 C11 -19(12) 1_454 .
C15 C10 C11 C12 2.4(13) . .
C9 C10 C11 C12 -177.7(8) . .
C10 C11 C12 C13 -1.3(13) . .
C11 C12 C13 C14 0.0(12) . .
C11 C12 C13 S1 -178.7(7) . .
O9 S1 C13 C14 -167.6(6) . .
O10 S1 C13 C14 -36.7(7) . .
C4 S1 C13 C14 76.9(7) . .
O9 S1 C13 C12 11.1(7) . .
O10 S1 C13 C12 142.0(6) . .
C4 S1 C13 C12 -104.5(7) . .
C12 C13 C14 C15 0.2(12) . .
S1 C13 C14 C15 178.8(6) . .
C13 C14 C15 C10 1.0(11) . .
C13 C14 C15 C16 -177.4(7) . .
C11 C10 C15 C14 -2.3(12) . .
C9 C10 C15 C14 177.8(8) . .
C11 C10 C15 C16 176.1(7) . .
C9 C10 C15 C16 -3.8(12) . .
C14 C15 C16 O7 170.6(7) . .
C10 C15 C16 O7 -7.8(11) . .
C14 C15 C16 O8 -8.9(10) . .
C10 C15 C16 O8 172.7(7) . .
