#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:45:07 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289466 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/44/7714476.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_7714476
loop_
_publ_author_name
'Gou, Xiaoshuang'
'Wu, Yuewei'
'Wang, Mengmeng'
'Liu, Ning'
'Lan, Wenlong'
'Zhang, Yi-Quan'
'Shi, Wei'
'Cheng, Peng'
_publ_section_title
;
 The influence of light on the field-induced magnetization dynamics of two
 Er(III) coordination polymers with different halogen substituents.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              148
_journal_page_last               152
_journal_paper_doi               10.1039/d3dt02714g
_journal_volume                  53
_journal_year                    2023
_chemical_formula_moiety         'C9 H6 Cl3 Er O9, 3(H2 O)'
_chemical_formula_sum            'C9 H12 Cl3 Er O12'
_chemical_formula_weight         585.80
_chemical_name_systematic        1
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_audit_creation_date             2023-04-14
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_audit_update_record
;
2023-06-26 deposited with the CCDC.	2023-11-15 downloaded from the CCDC.
;
_cell_angle_alpha                64.916(3)
_cell_angle_beta                 69.776(3)
_cell_angle_gamma                81.116(3)
_cell_formula_units_Z            2
_cell_length_a                   9.1911(3)
_cell_length_b                   10.1363(3)
_cell_length_c                   11.0340(4)
_cell_measurement_reflns_used    10903
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      30.3730
_cell_measurement_theta_min      2.2230
_cell_volume                     873.58(6)
_computing_cell_refinement       'CrysAlisPro 1.171.40.60a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.60a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.60a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -1.00 103.00   0.50    4.00    --   20.00  54.00   0.00  208
  2  ω    -70.00   0.00   0.50    4.00    --   20.00  54.00-150.00  140
  3  ω     76.00 102.00   0.50    4.00    --   20.00  54.00-150.00   52
  4  ω    -74.00  68.00   0.50    4.00    --   20.00  54.00 120.00  284
  5  ω     78.00 107.00   0.50    4.00    --   20.00  54.00 120.00   58
  6  ω    -74.00 -49.00   0.50    4.00    --   20.00  54.00 -90.00   50
  7  ω    -39.00  33.00   0.50    4.00    --   20.00  54.00 -90.00  144
  8  ω     70.00 102.00   0.50    4.00    --   20.00  54.00 -90.00   64
  9  ω    -70.00  -9.00   0.50    4.00    --   20.00  54.00 -30.00  122
 10  ω     23.00  48.00   0.50    4.00    --   20.00  54.00 -30.00   50
 11  ω     82.00 107.00   0.50    4.00    --   20.00  54.00 -30.00   50
 12  ω    -73.00 -33.00   0.50    4.00    --   20.00  54.00  60.00   80
 13  ω     -6.00  31.00   0.50    4.00    --   20.00  54.00  60.00   74
 14  ω    -44.00 -19.00   0.50    4.00    --   20.00  54.00-120.00   50
 15  ω    -16.00   9.00   0.50    4.00    --   20.00  54.00-120.00   50
 16  ω     55.00  80.00   0.50    4.00    --   20.00  54.00-120.00   50
 17  ω    -59.00  91.00   0.50    4.00    --   20.00  54.00 150.00  300
 18  ω     45.00  73.00   0.50    4.00    --   20.00  54.00-180.00   56
 19  ω    -62.00 -35.00   0.50    4.00    --   20.00  54.00   0.00   54
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0792846000
_diffrn_orient_matrix_UB_12      -0.0170328000
_diffrn_orient_matrix_UB_13      0.0208152000
_diffrn_orient_matrix_UB_21      0.0005138000
_diffrn_orient_matrix_UB_22      -0.0405936000
_diffrn_orient_matrix_UB_23      0.0703582000
_diffrn_orient_matrix_UB_31      -0.0218658000
_diffrn_orient_matrix_UB_32      0.0634997000
_diffrn_orient_matrix_UB_33      0.0142121000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_unetI/netI     0.0225
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12981
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.146
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    5.319
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50791
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.60a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark gray'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    gray
_exptl_crystal_density_diffrn    2.227
_exptl_crystal_description       block
_exptl_crystal_F_000             562
_exptl_crystal_preparation       1
_exptl_crystal_recrystallization_method 1
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.072
_refine_diff_density_min         -0.622
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         3954
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0199
_refine_ls_R_factor_gt           0.0185
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0218P)²+0.6485P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0447
_refine_ls_wR_factor_ref         0.0451
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3749
_reflns_number_total             3954
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02714g2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7714475--7714476.cif.'
_cod_database_code               7714476
_shelx_shelxl_version_number     2018/3
_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   0.901
_shelx_estimated_absorpt_t_min   0.741
_reflns_odcompleteness_completeness 99.08
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
O009 \\sim O00P: within 11.01A with sigma of 0.01 and sigma for terminal atoms
of 0.02 within 11.01A
Uanis(O00P) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: O00P(0.5) H00K(0.5) H00L(0.5) O2(0.5) H2A(0.5) H2B(0.5)
4.a Riding coordinates:
 O00C(H00C,H00D), O00D(H00E,H00F), O00N(H00G,H00H), O00O(H00I,H00J), O00P(H00K,
 H00L), O2(H2A,H2B)
4.b Rotating group:
 O007(H00A,H00B)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.562
_oxdiff_exptl_absorpt_empirical_full_min 0.825
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Er01 Er 0.28880(2) 0.25251(2) 0.75485(2) 0.01902(4) Uani 1 1 d . . . . .
Cl02 Cl 0.26564(9) 0.46497(9) 1.13558(9) 0.04003(19) Uani 1 1 d . . . . .
Cl03 Cl 0.65602(11) 0.28699(8) 0.24091(8) 0.0433(2) Uani 1 1 d . . . . .
Cl04 Cl 0.14645(11) 0.78965(8) 0.45198(11) 0.0476(2) Uani 1 1 d . . . . .
O005 O 0.6786(2) -0.0182(2) 0.2574(2) 0.0265(4) Uani 1 1 d . . . . .
O006 O 0.4563(2) 0.25411(19) 0.5326(2) 0.0250(4) Uani 1 1 d . . . . .
O007 O 0.5009(2) 0.4183(2) 0.6725(2) 0.0287(4) Uani 1 1 d . . . . .
H00A H 0.466509 0.508284 0.658234 0.043 Uiso 1 1 d R U . . .
H00B H 0.562415 0.426610 0.587975 0.043 Uiso 1 1 d R U . . .
O008 O 0.2571(2) 0.3443(2) 0.9298(2) 0.0270(4) Uani 1 1 d . . . . .
O009 O -0.1151(2) 0.7594(2) 0.3588(2) 0.0263(4) Uani 1 1 d . U . . .
O00A O -0.0258(2) 0.6465(2) 1.1583(2) 0.0298(4) Uani 1 1 d . . . . .
O00B O 0.2426(2) 0.4819(2) 0.5883(2) 0.0283(4) Uani 1 1 d . . . . .
O00C O 0.4942(3) 0.1278(2) 0.8394(3) 0.0375(5) Uani 1 1 d . . . . .
H00C H 0.506800 0.043959 0.835927 0.056 Uiso 1 1 d R U . . .
H00D H 0.469320 0.108959 0.927257 0.056 Uiso 1 1 d R U . . .
O00D O 0.1481(3) 0.0726(2) 0.9678(2) 0.0386(5) Uani 1 1 d . . . . .
H00E H 0.084095 0.096376 1.030628 0.058 Uiso 1 1 d R U . . .
H00F H 0.203345 -0.006214 0.988828 0.058 Uiso 1 1 d R U . . .
C00E C 0.1395(3) 0.4160(3) 0.9705(3) 0.0217(5) Uani 1 1 d . . . . .
C00F C 0.1209(3) 0.4813(3) 1.0628(3) 0.0223(5) Uani 1 1 d . . . . .
C00G C -0.0562(3) 0.6424(3) 0.4269(3) 0.0212(5) Uani 1 1 d . . . . .
C00H C -0.0083(3) 0.5715(3) 1.0892(3) 0.0213(5) Uani 1 1 d . . . . .
C00I C 0.4814(3) 0.1403(3) 0.5091(3) 0.0208(5) Uani 1 1 d . . . . .
C00J C 0.5710(3) 0.1306(3) 0.3828(3) 0.0260(6) Uani 1 1 d . . . . .
C00K C 0.0661(3) 0.6325(3) 0.4775(3) 0.0264(6) Uani 1 1 d . . . . .
C00L C 0.5959(3) -0.0015(3) 0.3665(3) 0.0208(5) Uani 1 1 d . . . . .
C00M C 0.1275(3) 0.4981(3) 0.5465(3) 0.0225(5) Uani 1 1 d . . . . .
O00N O -0.0015(4) 0.0830(4) 1.2250(4) 0.0821(10) Uani 1 1 d . . . . .
H00G H 0.101089 0.117686 1.212848 0.123 Uiso 1 1 d R U . . .
H00H H -0.026011 -0.021524 1.253508 0.123 Uiso 1 1 d R U . . .
O00O O 0.2774(5) -0.1935(3) 1.0734(4) 0.0875(12) Uani 1 1 d . . . . .
H00I H 0.366837 -0.224243 1.038906 0.131 Uiso 1 1 d R U . . .
H00J H 0.214927 -0.246003 1.071846 0.131 Uiso 1 1 d R U . . .
O00P O 0.5533(10) -0.1665(8) 0.8954(9) 0.079(2) Uani 0.5 1 d . U P A 2
H00K H 0.614925 -0.222179 0.938223 0.118 Uiso 0.5 1 d R U P A 2
H00L H 0.561225 -0.183649 0.824363 0.118 Uiso 0.5 1 d R U P A 2
O2 O 0.6536(9) -0.1096(7) 0.8183(9) 0.075(2) Uani 0.5 1 d . . P B 1
H2A H 0.691279 -0.170707 0.767485 0.112 Uiso 0.5 1 d R U P B 1
H2B H 0.656249 -0.188977 0.906735 0.112 Uiso 0.5 1 d R U P B 1
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'
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'
O O 0.0106 0.0060 '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
O005 Er01 O007 124.15(7) 2_656 . ?
O005 Er01 O00A 121.71(7) 2_656 2_567 ?
O006 Er01 O005 66.11(6) . 2_656 ?
O006 Er01 O007 72.36(7) . . ?
O006 Er01 O00A 135.93(7) . 2_567 ?
O007 Er01 O00A 114.03(7) . 2_567 ?
O008 Er01 O005 136.79(7) . 2_656 ?
O008 Er01 O006 143.74(7) . . ?
O008 Er01 O007 71.45(7) . . ?
O008 Er01 O00A 64.09(6) . 2_567 ?
O009 Er01 O005 72.02(7) 2_566 2_656 ?
O009 Er01 O006 76.00(7) 2_566 . ?
O009 Er01 O007 130.95(7) 2_566 . ?
O009 Er01 O008 131.98(6) 2_566 . ?
O009 Er01 O00A 67.90(6) 2_566 2_567 ?
O00B Er01 O005 129.28(7) . 2_656 ?
O00B Er01 O006 75.74(7) . . ?
O00B Er01 O007 69.34(7) . . ?
O00B Er01 O008 93.51(7) . . ?
O00B Er01 O009 67.14(6) . 2_566 ?
O00B Er01 O00A 67.62(7) . 2_567 ?
O00C Er01 O005 71.04(7) . 2_656 ?
O00C Er01 O006 84.72(8) . . ?
O00C Er01 O007 69.50(7) . . ?
O00C Er01 O008 80.76(7) . . ?
O00C Er01 O009 142.72(7) . 2_566 ?
O00C Er01 O00A 139.25(8) . 2_567 ?
O00C Er01 O00B 138.08(7) . . ?
O00D Er01 O005 68.61(7) . 2_656 ?
O00D Er01 O006 134.73(7) . . ?
O00D Er01 O007 137.77(8) . . ?
O00D Er01 O008 75.07(7) . . ?
O00D Er01 O009 90.77(8) . 2_566 ?
O00D Er01 O00A 71.42(7) . 2_567 ?
O00D Er01 O00B 138.32(8) . . ?
O00D Er01 O00C 80.47(8) . . ?
C00L O005 Er01 121.55(16) . 2_656 ?
C00I O006 Er01 121.24(17) . . ?
Er01 O007 H00A 111.3 . . ?
Er01 O007 H00B 110.7 . . ?
H00A O007 H00B 103.0 . . ?
C00E O008 Er01 123.66(17) . . ?
C00G O009 Er01 118.49(16) . 2_566 ?
C00H O00A Er01 119.51(18) . 2_567 ?
C00M O00B Er01 119.16(17) . . ?
Er01 O00C H00C 109.9 . . ?
Er01 O00C H00D 109.4 . . ?
H00C O00C H00D 104.2 . . ?
Er01 O00D H00E 120.1 . . ?
Er01 O00D H00F 110.0 . . ?
H00E O00D H00F 121.3 . . ?
O008 C00E C00F 125.9(3) . . ?
O008 C00E C00H 115.2(2) . 2_567 ?
C00F C00E C00H 118.9(2) . 2_567 ?
C00E C00F Cl02 119.9(2) . . ?
C00E C00F C00H 120.9(2) . . ?
C00H C00F Cl02 119.0(2) . . ?
O009 C00G C00K 125.3(2) . . ?
O009 C00G C00M 115.8(2) . 2_566 ?
C00K C00G C00M 118.9(2) . 2_566 ?
O00A C00H C00E 115.2(2) . 2_567 ?
O00A C00H C00F 125.0(3) . . ?
C00F C00H C00E 119.9(2) . 2_567 ?
O006 C00I C00J 125.8(2) . . ?
O006 C00I C00L 115.6(2) . 2_656 ?
C00J C00I C00L 118.6(2) . 2_656 ?
C00I C00J Cl03 118.97(19) . . ?
C00I C00J C00L 122.2(2) . . ?
C00L C00J Cl03 118.9(2) . . ?
C00G C00K Cl04 119.9(2) . . ?
C00M C00K Cl04 119.0(2) . . ?
C00M C00K C00G 121.1(2) . . ?
O005 C00L C00I 115.5(2) . 2_656 ?
O005 C00L C00J 125.3(2) . . ?
C00J C00L C00I 119.3(2) . 2_656 ?
O00B C00M C00G 115.7(2) . 2_566 ?
O00B C00M C00K 124.3(2) . . ?
C00K C00M C00G 120.0(2) . 2_566 ?
H00G O00N H00H 124.6 . . ?
H00I O00O H00J 104.5 . . ?
H00K O00P H00L 109.5 . . ?
H2A O2 H2B 92.4 . . ?
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
Er01 O005 2.4026(18) 2_656 ?
Er01 O006 2.3973(19) . ?
Er01 O007 2.4379(19) . ?
Er01 O008 2.3930(19) . ?
Er01 O009 2.3889(19) 2_566 ?
Er01 O00A 2.505(2) 2_567 ?
Er01 O00B 2.3611(19) . ?
Er01 O00C 2.348(2) . ?
Er01 O00D 2.348(2) . ?
Cl02 C00F 1.732(3) . ?
Cl03 C00J 1.734(3) . ?
Cl04 C00K 1.732(3) . ?
O005 C00L 1.247(3) . ?
O006 C00I 1.258(3) . ?
O007 H00A 0.8830 . ?
O007 H00B 0.8833 . ?
O008 C00E 1.264(3) . ?
O009 C00G 1.262(3) . ?
O00A C00H 1.246(3) . ?
O00B C00M 1.257(3) . ?
O00C H00C 0.8551 . ?
O00C H00D 0.8553 . ?
O00D H00E 0.8365 . ?
O00D H00F 0.8656 . ?
C00E C00F 1.386(4) . ?
C00E C00H 1.528(4) 2_567 ?
C00F C00H 1.408(4) . ?
C00G C00K 1.392(4) . ?
C00G C00M 1.531(4) 2_566 ?
C00I C00J 1.388(4) . ?
C00I C00L 1.539(4) 2_656 ?
C00J C00L 1.399(4) . ?
C00K C00M 1.391(4) . ?
O00N H00G 1.0028 . ?
O00N H00H 1.0075 . ?
O00O H00I 0.8500 . ?
O00O H00J 0.8499 . ?
O00P H00K 0.8503 . ?
O00P H00L 0.8499 . ?
O2 H2A 0.9547 . ?
O2 H2B 0.9716 . ?
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
Er01 O005 C00L C00I 0.4(3) 2_656 . . 2_656 ?
Er01 O005 C00L C00J 179.8(2) 2_656 . . . ?
Er01 O006 C00I C00J 177.3(2) . . . . ?
Er01 O006 C00I C00L -2.7(3) . . . 2_656 ?
Er01 O008 C00E C00F -174.5(2) . . . . ?
Er01 O008 C00E C00H 5.8(3) . . . 2_567 ?
Er01 O009 C00G C00K 168.1(2) 2_566 . . . ?
Er01 O009 C00G C00M -11.6(3) 2_566 . . 2_566 ?
Er01 O00A C00H C00E 16.5(3) 2_567 . . 2_567 ?
Er01 O00A C00H C00F -164.4(2) 2_567 . . . ?
Er01 O00B C00M C00G -17.8(3) . . . 2_566 ?
Er01 O00B C00M C00K 163.5(2) . . . . ?
Cl02 C00F C00H O00A 2.6(4) . . . . ?
Cl02 C00F C00H C00E -178.26(19) . . . 2_567 ?
Cl03 C00J C00L O005 1.7(4) . . . . ?
Cl03 C00J C00L C00I -178.9(2) . . . 2_656 ?
Cl04 C00K C00M O00B -2.6(4) . . . . ?
Cl04 C00K C00M C00G 178.7(2) . . . 2_566 ?
O006 C00I C00J Cl03 -1.0(4) . . . . ?
O006 C00I C00J C00L 178.5(3) . . . . ?
O008 C00E C00F Cl02 -1.3(4) . . . . ?
O008 C00E C00F C00H 173.2(3) . . . . ?
O009 C00G C00K Cl04 1.6(4) . . . . ?
O009 C00G C00K C00M -177.2(3) . . . . ?
C00E C00F C00H O00A -171.9(3) . . . . ?
C00E C00F C00H C00E 7.2(4) . . . 2_567 ?
C00G C00K C00M O00B 176.2(3) . . . . ?
C00G C00K C00M C00G -2.5(4) . . . 2_566 ?
C00H C00E C00F Cl02 178.37(19) 2_567 . . . ?
C00H C00E C00F C00H -7.1(4) 2_567 . . . ?
C00I C00J C00L O005 -177.8(3) . . . . ?
C00I C00J C00L C00I 1.6(5) . . . 2_656 ?
C00L C00I C00J Cl03 178.92(19) 2_656 . . . ?
C00L C00I C00J C00L -1.5(4) 2_656 . . . ?
C00M C00G C00K Cl04 -178.7(2) 2_566 . . . ?
C00M C00G C00K C00M 2.4(4) 2_566 . . . ?
