#------------------------------------------------------------------------------
#$Date: 2017-10-19 05:45:20 +0300 (Thu, 19 Oct 2017) $
#$Revision: 202142 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/44/7044489.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_7044489
loop_
_publ_author_name
'Xu, Xiu ling'
'Hu, Fan'
'Shuai, Qi'
_publ_section_title
;
 Facile synthesis of highly biocompatible folic acid-functionalized SiO2
 encapsulated rare-earth metal complexes nanoparticles and its application
 on targeted metal-based complex delivery
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT03000B
_journal_year                    2017
_chemical_formula_sum            'C48 H48 Cl6 Er2 O24'
_chemical_formula_weight         1556.08
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-07-11 deposited with the CCDC.
2017-10-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.528(3)
_cell_length_b                   9.303(2)
_cell_length_c                   39.895(7)
_cell_measurement_reflns_used    8766
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.74
_cell_measurement_theta_min      2.47
_cell_volume                     5392.0(19)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_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  0.1381
_diffrn_reflns_av_sigmaI/netI    0.0958
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            23124
_diffrn_reflns_theta_full        25.30
_diffrn_reflns_theta_max         25.30
_diffrn_reflns_theta_min         2.48
_exptl_absorpt_coefficient_mu    3.474
_exptl_absorpt_correction_T_max  0.4771
_exptl_absorpt_correction_T_min  0.4221
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.917
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3064
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.354
_refine_diff_density_min         -3.729
_refine_diff_density_rms         0.264
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         4795
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.1166
_refine_ls_R_factor_gt           0.0972
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0551P)²+151.4536P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1981
_refine_ls_wR_factor_ref         0.2067
_reflns_number_gt                3876
_reflns_number_total             4795
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7dt03000b2.cif
_cod_data_source_block           ccl35
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7044489
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, 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
Er1 Er 0.58842(3) 0.20921(5) 0.014352(11) 0.01978(12) Uani 1 1 d .
O1 O 0.7026(5) 0.2618(8) -0.02836(19) 0.0289(18) Uani 1 1 d .
O2 O 0.5856(5) 0.4082(9) -0.0256(2) 0.041(2) Uani 1 1 d .
O3 O 0.6478(5) 0.5774(8) -0.07300(18) 0.0268(18) Uani 1 1 d .
O4 O 0.7165(4) 0.2676(7) 0.04456(17) 0.0225(16) Uani 1 1 d .
O5 O 0.8515(5) 0.1619(9) 0.0443(2) 0.038(2) Uani 1 1 d .
O6 O 0.8287(6) 0.0531(10) 0.10448(19) 0.039(2) Uani 1 1 d .
O7 O 0.5475(5) 0.0704(7) 0.06104(16) 0.0243(17) Uani 1 1 d .
O8 O 0.4703(5) -0.0828(8) 0.02889(17) 0.0269(18) Uani 1 1 d .
O9 O 0.5270(6) -0.1064(8) 0.11437(18) 0.037(2) Uani 1 1 d .
Cl1 Cl 0.4665(4) -0.4489(6) 0.23530(11) 0.1087(18) Uani 1 1 d .
Cl2 Cl 0.8171(4) -0.1596(4) 0.24185(9) 0.0695(13) Uani 1 1 d .
Cl3 Cl 0.6759(4) 0.8731(4) -0.20137(9) 0.0794(15) Uani 1 1 d .
C1 C 0.6615(7) 0.3719(11) -0.0374(3) 0.022(2) Uani 1 1 d U
C2 C 0.7045(7) 0.4594(11) -0.0654(2) 0.023(2) Uani 1 1 d .
H2A H 0.7648 0.4932 -0.0585 0.027 Uiso 1 1 calc R
H2B H 0.7121 0.3997 -0.0851 0.027 Uiso 1 1 calc R
C3 C 0.6613(7) 0.6458(11) -0.1035(2) 0.024(2) Uani 1 1 d .
C4 C 0.5974(8) 0.7499(12) -0.1105(3) 0.029(3) Uani 1 1 d .
H4 H 0.5517 0.7727 -0.0950 0.035 Uiso 1 1 calc R
C5 C 0.7319(8) 0.6148(13) -0.1252(3) 0.036(3) Uani 1 1 d .
H5 H 0.7761 0.5469 -0.1195 0.043 Uiso 1 1 calc R
C6 C 0.6025(9) 0.8198(11) -0.1408(3) 0.035(3) Uani 1 1 d .
H6 H 0.5594 0.8900 -0.1461 0.042 Uiso 1 1 calc R
C7 C 0.7366(10) 0.6847(13) -0.1553(3) 0.043(3) Uani 1 1 d .
H7 H 0.7838 0.6634 -0.1703 0.052 Uiso 1 1 calc R
C8 C 0.6721(11) 0.7857(13) -0.1635(3) 0.044(3) Uani 1 1 d .
C9 C 0.7799(7) 0.1950(11) 0.0580(3) 0.026(2) Uani 1 1 d .
C10 C 0.7633(9) 0.1556(13) 0.0937(3) 0.034(3) Uani 1 1 d .
H10A H 0.7676 0.2408 0.1076 0.040 Uiso 1 1 calc R
H10B H 0.7018 0.1162 0.0961 0.040 Uiso 1 1 calc R
C11 C 0.8254(8) 0.0082(12) 0.1369(3) 0.029(3) Uani 1 1 d .
C12 C 0.7673(11) 0.0684(17) 0.1605(3) 0.059(4) Uani 1 1 d .
H12 H 0.7291 0.1443 0.1545 0.071 Uiso 1 1 calc R
C13 C 0.8838(9) -0.1008(14) 0.1465(3) 0.044(3) Uani 1 1 d .
H13 H 0.9249 -0.1405 0.1312 0.052 Uiso 1 1 calc R
C14 C 0.7657(12) 0.0168(17) 0.1927(3) 0.064(5) Uani 1 1 d .
H14 H 0.7259 0.0567 0.2084 0.077 Uiso 1 1 calc R
C15 C 0.8807(11) -0.1503(14) 0.1788(3) 0.050(4) Uani 1 1 d .
H15 H 0.9194 -0.2250 0.1851 0.060 Uiso 1 1 calc R
C16 C 0.8226(11) -0.0930(14) 0.2017(3) 0.046(4) Uani 1 1 d .
C17 C 0.5017(7) -0.0440(11) 0.0562(3) 0.022(2) Uani 1 1 d .
C18 C 0.4839(8) -0.1479(11) 0.0848(2) 0.025(2) Uani 1 1 d U
H18A H 0.4181 -0.1545 0.0887 0.030 Uiso 1 1 calc R
H18B H 0.5057 -0.2426 0.0784 0.030 Uiso 1 1 calc R
C19 C 0.5091(8) -0.1898(12) 0.1426(2) 0.031(3) Uani 1 1 d .
C20 C 0.4588(10) -0.3144(14) 0.1413(3) 0.046(4) Uani 1 1 d .
H20 H 0.4348 -0.3461 0.1210 0.056 Uiso 1 1 calc R
C21 C 0.5454(15) -0.1475(17) 0.1720(4) 0.073(5) Uani 1 1 d .
H21 H 0.5796 -0.0631 0.1727 0.087 Uiso 1 1 calc R
C22 C 0.4440(11) -0.3929(18) 0.1702(4) 0.069(5) Uani 1 1 d .
H22 H 0.4089 -0.4764 0.1698 0.082 Uiso 1 1 calc R
C23 C 0.5340(16) -0.2230(19) 0.2006(3) 0.087(7) Uani 1 1 d .
H23 H 0.5607 -0.1931 0.2206 0.105 Uiso 1 1 calc R
C24 C 0.4814(13) -0.3457(17) 0.1990(4) 0.064(5) Uani 1 1 d .
O1W O 0.5480(5) 0.4024(7) 0.05001(17) 0.0227(17) Uani 1 1 d .
H1WA H 0.5159 0.4743 0.0373 0.027 Uiso 1 1 d R
H1WB H 0.6029 0.4433 0.0594 0.027 Uiso 1 1 d R
O2W O 0.6784(5) -0.0061(7) 0.00963(18) 0.0264(17) Uani 1 1 d .
H2WA H 0.6508 -0.0684 -0.0067 0.032 Uiso 1 1 d R
H2WB H 0.6802 -0.0540 0.0309 0.032 Uiso 1 1 d R
O3W O 0.4224(4) 0.2520(7) 0.01352(19) 0.0236(16) Uani 1 1 d .
H3WA H 0.4060 0.3157 0.0315 0.028 Uiso 1 1 d R
H3WB H 0.4056 0.2948 -0.0075 0.028 Uiso 1 1 d 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'
Cl Cl 0.1484 0.1585 '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
O8 Er1 O4 146.8(3) 5_655 .
O8 Er1 O7 103.0(2) 5_655 .
O4 Er1 O7 85.3(2) . .
O8 Er1 O1W 139.6(2) 5_655 .
O4 Er1 O1W 72.8(2) . .
O7 Er1 O1W 83.0(2) . .
O8 Er1 O2W 73.2(3) 5_655 .
O4 Er1 O2W 78.2(2) . .
O7 Er1 O2W 75.0(2) . .
O1W Er1 O2W 144.7(2) . .
O8 Er1 O1 80.0(3) 5_655 .
O4 Er1 O1 76.4(2) . .
O7 Er1 O1 147.4(2) . .
O1W Er1 O1 116.0(2) . .
O2W Er1 O1 75.0(2) . .
O8 Er1 O2 83.7(3) 5_655 .
O4 Er1 O2 100.2(3) . .
O7 Er1 O2 158.7(3) . .
O1W Er1 O2 79.2(3) . .
O2W Er1 O2 126.2(3) . .
O1 Er1 O2 53.2(2) . .
O8 Er1 O3W 72.6(3) 5_655 .
O4 Er1 O3W 140.6(2) . .
O7 Er1 O3W 81.4(3) . .
O1W Er1 O3W 68.9(2) . .
O2W Er1 O3W 132.2(2) . .
O1 Er1 O3W 129.2(2) . .
O2 Er1 O3W 81.4(2) . .
O8 Er1 C1 82.0(3) 5_655 .
O4 Er1 C1 87.2(3) . .
O7 Er1 C1 172.0(3) . .
O1W Er1 C1 97.4(3) . .
O2W Er1 C1 100.9(3) . .
O1 Er1 C1 26.5(3) . .
O2 Er1 C1 26.7(3) . .
O3W Er1 C1 106.2(3) . .
C1 O1 Er1 92.4(6) . .
C1 O2 Er1 91.5(6) . .
C3 O3 C2 117.8(8) . .
C9 O4 Er1 133.8(6) . .
C11 O6 C10 118.2(9) . .
C17 O7 Er1 118.4(6) . .
C17 O8 Er1 165.2(7) . 5_655
C18 O9 C19 116.5(8) . .
O1 C1 O2 122.7(10) . .
O1 C1 C2 117.4(9) . .
O2 C1 C2 119.8(9) . .
O1 C1 Er1 61.1(5) . .
O2 C1 Er1 61.8(6) . .
C2 C1 Er1 178.2(7) . .
O3 C2 C1 109.7(8) . .
O3 C2 H2A 109.7 . .
C1 C2 H2A 109.7 . .
O3 C2 H2B 109.7 . .
C1 C2 H2B 109.7 . .
H2A C2 H2B 108.2 . .
C4 C3 C5 121.8(10) . .
C4 C3 O3 114.0(9) . .
C5 C3 O3 124.2(10) . .
C3 C4 C6 118.5(11) . .
C3 C4 H4 120.8 . .
C6 C4 H4 120.8 . .
C7 C5 C3 119.5(11) . .
C7 C5 H5 120.3 . .
C3 C5 H5 120.3 . .
C4 C6 C8 120.1(11) . .
C4 C6 H6 119.9 . .
C8 C6 H6 119.9 . .
C8 C7 C5 120.0(12) . .
C8 C7 H7 120.0 . .
C5 C7 H7 120.0 . .
C7 C8 C6 120.0(10) . .
C7 C8 Cl3 120.8(10) . .
C6 C8 Cl3 119.2(10) . .
O5 C9 O4 124.7(10) . .
O5 C9 C10 120.4(10) . .
O4 C9 C10 114.8(9) . .
O6 C10 C9 110.3(9) . .
O6 C10 H10A 109.6 . .
C9 C10 H10A 109.6 . .
O6 C10 H10B 109.6 . .
C9 C10 H10B 109.6 . .
H10A C10 H10B 108.1 . .
O6 C11 C13 117.9(11) . .
O6 C11 C12 123.0(11) . .
C13 C11 C12 119.1(11) . .
C14 C12 C11 120.4(14) . .
C14 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C15 C13 C11 119.2(13) . .
C15 C13 H13 120.4 . .
C11 C13 H13 120.4 . .
C16 C14 C12 119.9(14) . .
C16 C14 H14 120.1 . .
C12 C14 H14 120.1 . .
C16 C15 C13 121.6(13) . .
C16 C15 H15 119.2 . .
C13 C15 H15 119.2 . .
C15 C16 C14 119.7(12) . .
C15 C16 Cl2 121.1(11) . .
C14 C16 Cl2 119.1(11) . .
O8 C17 O7 124.8(9) . .
O8 C17 C18 114.5(9) . .
O7 C17 C18 120.7(9) . .
O9 C18 C17 112.5(9) . .
O9 C18 H18A 109.1 . .
C17 C18 H18A 109.1 . .
O9 C18 H18B 109.1 . .
C17 C18 H18B 109.1 . .
H18A C18 H18B 107.8 . .
C21 C19 C20 119.3(12) . .
C21 C19 O9 117.9(12) . .
C20 C19 O9 122.8(10) . .
C19 C20 C22 119.9(13) . .
C19 C20 H20 120.1 . .
C22 C20 H20 120.1 . .
C19 C21 C23 122.4(16) . .
C19 C21 H21 118.8 . .
C23 C21 H21 118.8 . .
C24 C22 C20 118.6(15) . .
C24 C22 H22 120.7 . .
C20 C22 H22 120.7 . .
C21 C23 C24 117.6(15) . .
C21 C23 H23 121.2 . .
C24 C23 H23 121.2 . .
C22 C24 C23 122.2(13) . .
C22 C24 Cl1 118.5(13) . .
C23 C24 Cl1 119.2(12) . .
Er1 O1W H1WA 109.4 . .
Er1 O1W H1WB 109.2 . .
H1WA O1W H1WB 109.5 . .
Er1 O2W H2WA 109.2 . .
Er1 O2W H2WB 109.4 . .
H2WA O2W H2WB 109.5 . .
Er1 O3W H3WA 109.6 . .
Er1 O3W H3WB 109.3 . .
H3WA O3W H3WB 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O8 2.255(7) 5_655
Er1 O4 2.283(7) .
Er1 O7 2.343(7) .
Er1 O1W 2.366(7) .
Er1 O2W 2.400(7) .
Er1 O1 2.428(7) .
Er1 O2 2.443(8) .
Er1 O3W 2.445(6) .
Er1 C1 2.771(10) .
O1 C1 1.239(12) .
O2 C1 1.246(12) .
O3 C3 1.387(12) .
O3 C2 1.406(12) .
O4 C9 1.262(12) .
O5 C9 1.213(13) .
O6 C11 1.360(13) .
O6 C10 1.413(14) .
O7 C17 1.269(12) .
O8 C17 1.237(12) .
O8 Er1 2.255(7) 5_655
O9 C18 1.390(12) .
O9 C19 1.392(12) .
Cl1 C24 1.750(14) .
Cl2 C16 1.720(12) .
Cl3 C8 1.718(11) .
C1 C2 1.516(14) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.369(15) .
C3 C5 1.373(16) .
C4 C6 1.375(16) .
C4 H4 0.9300 .
C5 C7 1.368(16) .
C5 H5 0.9300 .
C6 C8 1.394(18) .
C6 H6 0.9300 .
C7 C8 1.367(19) .
C7 H7 0.9300 .
C9 C10 1.491(15) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C13 1.376(17) .
C11 C12 1.382(18) .
C12 C14 1.372(19) .
C12 H12 0.9300 .
C13 C15 1.369(18) .
C13 H13 0.9300 .
C14 C16 1.36(2) .
C14 H14 0.9300 .
C15 C16 1.35(2) .
C15 H15 0.9300 .
C17 C18 1.517(14) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C21 1.346(18) .
C19 C20 1.371(17) .
C20 C22 1.383(19) .
C20 H20 0.9300 .
C21 C23 1.35(2) .
C21 H21 0.9300 .
C22 C24 1.34(2) .
C22 H22 0.9300 .
C23 C24 1.37(3) .
C23 H23 0.9300 .
O1W H1WA 0.9600 .
O1W H1WB 0.9600 .
O2W H2WA 0.9600 .
O2W H2WB 0.9600 .
O3W H3WA 0.9600 .
O3W H3WB 0.9600 .
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
O8 Er1 O1 C1 91.9(6) 5_655
O4 Er1 O1 C1 -111.7(6) .
O7 Er1 O1 C1 -169.5(6) .
O1W Er1 O1 C1 -48.9(6) .
O2W Er1 O1 C1 167.1(6) .
O2 Er1 O1 C1 2.4(6) .
O3W Er1 O1 C1 34.3(7) .
O8 Er1 O2 C1 -84.7(7) 5_655
O4 Er1 O2 C1 61.9(7) .
O7 Er1 O2 C1 165.6(7) .
O1W Er1 O2 C1 132.0(7) .
O2W Er1 O2 C1 -20.9(8) .
O1 Er1 O2 C1 -2.4(6) .
O3W Er1 O2 C1 -158.0(7) .
O8 Er1 O4 C9 -49.6(11) 5_655
O7 Er1 O4 C9 57.1(9) .
O1W Er1 O4 C9 141.1(9) .
O2W Er1 O4 C9 -18.5(9) .
O1 Er1 O4 C9 -95.7(9) .
O2 Er1 O4 C9 -143.7(9) .
O3W Er1 O4 C9 127.4(9) .
C1 Er1 O4 C9 -120.3(9) .
O8 Er1 O7 C17 -0.8(8) 5_655
O4 Er1 O7 C17 -148.2(7) .
O1W Er1 O7 C17 138.6(7) .
O2W Er1 O7 C17 -69.1(7) .
O1 Er1 O7 C17 -92.5(8) .
O2 Er1 O7 C17 105.5(9) .
O3W Er1 O7 C17 69.0(7) .
C1 Er1 O7 C17 -128.4(19) .
Er1 O1 C1 O2 -4.5(11) .
Er1 O1 C1 C2 179.0(8) .
Er1 O2 C1 O1 4.5(11) .
Er1 O2 C1 C2 -179.1(8) .
O8 Er1 C1 O1 -83.8(6) 5_655
O4 Er1 C1 O1 64.7(6) .
O7 Er1 C1 O1 45(2) .
O1W Er1 C1 O1 137.0(6) .
O2W Er1 C1 O1 -12.7(6) .
O2 Er1 C1 O1 -175.7(10) .
O3W Er1 C1 O1 -153.0(6) .
O8 Er1 C1 O2 91.9(7) 5_655
O4 Er1 C1 O2 -119.6(7) .
O7 Er1 C1 O2 -139.3(18) .
O1W Er1 C1 O2 -47.4(7) .
O2W Er1 C1 O2 163.0(6) .
O1 Er1 C1 O2 175.7(10) .
O3W Er1 C1 O2 22.7(7) .
O8 Er1 C1 C2 -114(23) 5_655
O4 Er1 C1 C2 34(23) .
O7 Er1 C1 C2 14(25) .
O1W Er1 C1 C2 106(23) .
O2W Er1 C1 C2 -43(23) .
O1 Er1 C1 C2 -31(23) .
O2 Er1 C1 C2 154(24) .
O3W Er1 C1 C2 176(100) .
C3 O3 C2 C1 -162.2(8) .
O1 C1 C2 O3 178.3(9) .
O2 C1 C2 O3 1.7(13) .
Er1 C1 C2 O3 -152(23) .
C2 O3 C3 C4 173.7(9) .
C2 O3 C3 C5 -6.6(15) .
C5 C3 C4 C6 3.0(17) .
O3 C3 C4 C6 -177.3(10) .
C4 C3 C5 C7 -3.1(18) .
O3 C3 C5 C7 177.2(11) .
C3 C4 C6 C8 -0.8(18) .
C3 C5 C7 C8 0.8(19) .
C5 C7 C8 C6 1(2) .
C5 C7 C8 Cl3 -179.2(10) .
C4 C6 C8 C7 -1.3(19) .
C4 C6 C8 Cl3 179.1(10) .
Er1 O4 C9 O5 90.6(12) .
Er1 O4 C9 C10 -92.1(11) .
C11 O6 C10 C9 178.0(9) .
O5 C9 C10 O6 -13.5(15) .
O4 C9 C10 O6 169.0(9) .
C10 O6 C11 C13 174.3(11) .
C10 O6 C11 C12 -6.6(17) .
O6 C11 C12 C14 178.8(14) .
C13 C11 C12 C14 -2(2) .
O6 C11 C13 C15 -178.7(12) .
C12 C11 C13 C15 2(2) .
C11 C12 C14 C16 1(3) .
C11 C13 C15 C16 -1(2) .
C13 C15 C16 C14 0(2) .
C13 C15 C16 Cl2 178.1(12) .
C12 C14 C16 C15 0(2) .
C12 C14 C16 Cl2 -178.1(13) .
Er1 O8 C17 O7 161(2) 5_655
Er1 O8 C17 C18 -17(3) 5_655
Er1 O7 C17 O8 -6.1(13) .
Er1 O7 C17 C18 172.0(7) .
C19 O9 C18 C17 175.5(9) .
O8 C17 C18 O9 174.8(9) .
O7 C17 C18 O9 -3.5(14) .
C18 O9 C19 C21 -176.1(13) .
C18 O9 C19 C20 6.0(16) .
C21 C19 C20 C22 2(2) .
O9 C19 C20 C22 179.6(13) .
C20 C19 C21 C23 0(3) .
O9 C19 C21 C23 -178.2(17) .
C19 C20 C22 C24 -1(2) .
C19 C21 C23 C24 -1(3) .
C20 C22 C24 C23 0(3) .
C20 C22 C24 Cl1 -177.5(12) .
C21 C23 C24 C22 2(3) .
C21 C23 C24 Cl1 178.8(16) .
