#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:46:23 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179989 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/83/7028348.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_7028348
loop_
_publ_author_name
'Hou, Yin-Ling'
'Cheng, Rui-Rui'
'Xiong, Gang'
'Cui, Jian-Zhong'
'Zhao, Bin'
_publ_section_title
;
 Structures, luminescent and magnetic properties of a series of
 (3,6)-connected lanthanide-organic frameworks.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1814
_journal_page_last               1820
_journal_paper_doi               10.1039/c3dt52305e
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C30 H23 Ho O17 S2'
_chemical_formula_weight         884.53
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 94.653(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.327(2)
_cell_length_b                   14.0248(11)
_cell_length_c                   9.8469(6)
_cell_measurement_reflns_used    1413
_cell_measurement_temperature    124(2)
_cell_measurement_theta_max      29.0200
_cell_measurement_theta_min      3.0281
_cell_volume                     3210.9(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_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      124(2)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       '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  0.1060
_diffrn_reflns_av_sigmaI/netI    0.1987
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            12179
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    2.675
_exptl_absorpt_correction_T_max  0.7757
_exptl_absorpt_correction_T_min  0.5544
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.830
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.302
_refine_diff_density_min         -1.032
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    Constrained
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         5655
_refine_ls_number_restraints     534
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.1452
_refine_ls_R_factor_gt           0.0745
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0055P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1420
_reflns_number_gt                3028
_reflns_number_total             5655
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52305e.txt
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/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 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7028348
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -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
C1 C 0.3179(6) 0.7920(9) 0.5925(11) 0.019(2) Uani 1 1 d U
C2 C 0.3786(5) 0.8201(9) 0.5763(11) 0.017(2) Uani 1 1 d U
C3 C 0.4180(5) 0.8168(9) 0.6872(11) 0.020(2) Uani 1 1 d U
H3 H 0.4066 0.7977 0.7713 0.024 Uiso 1 1 calc R
C4 C 0.4755(5) 0.8420(8) 0.6742(11) 0.018(2) Uani 1 1 d U
H4 H 0.5029 0.8397 0.7481 0.022 Uiso 1 1 calc R
C5 C 0.4895(6) 0.8707(9) 0.5460(12) 0.021(2) Uani 1 1 d U
C6 C 0.4494(6) 0.8771(9) 0.4343(11) 0.020(2) Uani 1 1 d U
C7 C 0.3919(6) 0.8509(9) 0.4481(11) 0.019(2) Uani 1 1 d U
H7 H 0.3641 0.8541 0.3750 0.023 Uiso 1 1 calc R
C8 C 0.4292(6) 0.9389(10) 0.2096(11) 0.032(3) Uani 1 1 d U
H8A H 0.4489 0.9696 0.1398 0.048 Uiso 1 1 calc R
H8B H 0.4031 0.9832 0.2462 0.048 Uiso 1 1 calc R
H8C H 0.4081 0.8852 0.1716 0.048 Uiso 1 1 calc R
C9 C 0.2907(6) 0.5396(9) 0.4392(12) 0.019(2) Uani 1 1 d U
C10 C 0.3212(5) 0.4920(9) 0.3381(11) 0.020(2) Uani 1 1 d U
C11 C 0.3689(6) 0.4327(9) 0.3711(11) 0.023(2) Uani 1 1 d U
H11 H 0.3820 0.4240 0.4620 0.028 Uiso 1 1 calc R
C12 C 0.3963(6) 0.3877(9) 0.2719(11) 0.024(2) Uani 1 1 d U
H12 H 0.4292 0.3516 0.2943 0.029 Uiso 1 1 calc R
C13 C 0.3742(6) 0.3967(9) 0.1352(11) 0.020(2) Uani 1 1 d U
C14 C 0.3280(6) 0.4533(9) 0.1004(12) 0.023(2) Uani 1 1 d U
H14 H 0.3155 0.4613 0.0090 0.027 Uiso 1 1 calc R
C15 C 0.2992(5) 0.4991(9) 0.1994(11) 0.019(2) Uani 1 1 d U
H15 H 0.2661 0.5341 0.1754 0.023 Uiso 1 1 calc R
C16 C 0.1307(6) 0.6827(9) 0.5266(11) 0.018(2) Uani 1 1 d U
C17 C 0.0712(6) 0.6548(9) 0.5583(11) 0.017(2) Uani 1 1 d U
C18 C 0.0276(6) 0.6490(9) 0.4559(11) 0.019(2) Uani 1 1 d U
H18 H 0.0356 0.6591 0.3660 0.023 Uiso 1 1 calc R
C19 C -0.0283(6) 0.6283(9) 0.4850(11) 0.020(2) Uani 1 1 d U
H19 H -0.0575 0.6228 0.4154 0.024 Uiso 1 1 calc R
C20 C -0.0396(6) 0.6162(9) 0.6190(11) 0.0191(19) Uani 1 1 d U
C21 C 0.0041(6) 0.6195(9) 0.7224(11) 0.021(2) Uani 1 1 d U
H21 H -0.0035 0.6081 0.8122 0.025 Uiso 1 1 calc R
C22 C 0.0574(6) 0.6394(9) 0.6909(11) 0.024(2) Uani 1 1 d U
H22 H 0.0866 0.6431 0.7610 0.029 Uiso 1 1 calc R
C23 C -0.1452(6) 0.7624(10) 0.7201(12) 0.029(2) Uani 1 1 d U
C24 C -0.1164(6) 0.8245(9) 0.6409(12) 0.030(2) Uani 1 1 d U
H24 H -0.0823 0.8066 0.6050 0.036 Uiso 1 1 calc R
C25 C -0.1401(6) 0.9157(10) 0.6164(12) 0.030(2) Uani 1 1 d U
H25 H -0.1219 0.9580 0.5613 0.037 Uiso 1 1 calc R
C26 C -0.1886(6) 0.9433(10) 0.6706(12) 0.026(2) Uani 1 1 d U
C27 C -0.2172(6) 0.8799(9) 0.7481(12) 0.029(2) Uani 1 1 d U
H27 H -0.2512 0.8980 0.7844 0.035 Uiso 1 1 calc R
C28 C -0.1954(6) 0.7894(10) 0.7716(13) 0.029(2) Uani 1 1 d U
C29 C -0.2639(6) 0.7593(11) 0.9391(13) 0.050(4) Uani 1 1 d U
H29A H -0.2978 0.7719 0.8799 0.075 Uiso 1 1 calc R
H29B H -0.2517 0.8169 0.9858 0.075 Uiso 1 1 calc R
H29C H -0.2723 0.7116 1.0045 0.075 Uiso 1 1 calc R
C30 C -0.2064(6) 1.0459(10) 0.6668(13) 0.027(2) Uani 1 1 d U
O1 O 0.1406(3) 0.7010(6) 0.4072(7) 0.016(2) Uani 1 1 d .
O2 O 0.1835(4) 0.6257(6) 0.1736(7) 0.022(2) Uani 1 1 d .
H2A H 0.1609 0.5912 0.2189 0.033 Uiso 1 1 d R
H2B H 0.1641 0.6477 0.1017 0.033 Uiso 1 1 d R
O3 O 0.2558(4) 0.6063(6) 0.4144(7) 0.023(2) Uani 1 1 d .
O4 O 0.3046(3) 0.7361(6) 0.2095(7) 0.017(2) Uani 1 1 d .
O5 O 0.2816(3) 0.7952(6) 0.4909(7) 0.016(2) Uani 1 1 d .
O6 O 0.4703(4) 0.9071(7) 0.3163(8) 0.036(3) Uani 1 1 d .
O7 O 0.3030(4) 0.5099(7) 0.5657(7) 0.030(3) Uani 1 1 d .
H7A H 0.2935 0.5507 0.6191 0.045 Uiso 1 1 calc R
O8 O 0.4543(4) 0.4063(7) -0.0324(8) 0.031(2) Uani 1 1 d .
O9 O 0.4325(4) 0.2485(7) 0.0567(7) 0.030(2) Uani 1 1 d .
O10 O 0.3665(4) 0.3296(7) -0.1127(8) 0.040(3) Uani 1 1 d .
O11 O 0.1692(4) 0.6865(6) 0.6264(7) 0.020(2) Uani 1 1 d .
O12 O -0.1500(4) 0.5961(7) 0.5477(8) 0.037(3) Uani 1 1 d U
O13 O -0.1209(4) 0.6743(7) 0.7635(8) 0.032(3) Uani 1 1 d .
O14 O -0.1071(4) 0.5093(6) 0.7504(10) 0.042(3) Uani 1 1 d .
O15 O -0.2177(5) 0.7250(8) 0.8579(10) 0.063(4) Uani 1 1 d .
O16 O -0.2492(4) 1.0741(6) 0.7282(7) 0.021(2) Uani 1 1 d .
O17 O -0.1780(3) 1.1032(6) 0.5995(7) 0.016(2) Uani 1 1 d .
S1 S 0.40644(16) 0.3343(3) 0.0043(3) 0.0263(9) Uani 1 1 d .
S2 S -0.10925(16) 0.5920(3) 0.6636(3) 0.0269(9) Uani 1 1 d .
Ho1 Ho 0.22145(2) 0.75449(5) 0.31041(5) 0.01193(17) 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'
Ho Ho -0.2175 4.6783 '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
O5 C1 O4 122.1(12) . 4_576
O5 C1 C2 119.3(10) . .
O4 C1 C2 118.6(11) 4_576 .
C3 C2 C7 123.3(12) . .
C3 C2 C1 119.1(10) . .
C7 C2 C1 117.5(11) . .
C2 C3 C4 120.2(11) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
C5 C4 C3 117.0(12) . .
C5 C4 H4 121.5 . .
C3 C4 H4 121.5 . .
C6 C5 C4 123.1(12) . .
C6 C5 O8 118.1(11) . 2_655
C4 C5 O8 118.4(11) . 2_655
O6 C6 C5 115.5(12) . .
O6 C6 C7 125.0(11) . .
C5 C6 C7 119.5(11) . .
C2 C7 C6 116.9(12) . .
C2 C7 H7 121.5 . .
C6 C7 H7 121.5 . .
O6 C8 H8A 109.5 . .
O6 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
O6 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O3 C9 O7 120.5(11) . .
O3 C9 C10 124.3(12) . .
O7 C9 C10 115.1(12) . .
C11 C10 C15 118.6(11) . .
C11 C10 C9 122.9(11) . .
C15 C10 C9 118.3(12) . .
C12 C11 C10 121.1(11) . .
C12 C11 H11 119.5 . .
C10 C11 H11 119.5 . .
C11 C12 C13 119.1(13) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
C14 C13 C12 120.9(11) . .
C14 C13 S1 118.6(9) . .
C12 C13 S1 120.4(10) . .
C13 C14 C15 120.9(12) . .
C13 C14 H14 119.6 . .
C15 C14 H14 119.6 . .
C14 C15 C10 119.1(12) . .
C14 C15 H15 120.5 . .
C10 C15 H15 120.5 . .
O1 C16 O11 123.1(12) . .
O1 C16 C17 119.9(11) . .
O11 C16 C17 117.1(10) . .
C18 C17 C22 117.8(12) . .
C18 C17 C16 120.3(10) . .
C22 C17 C16 121.8(11) . .
C17 C18 C19 120.8(11) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
C20 C19 C18 118.7(12) . .
C20 C19 H19 120.7 . .
C18 C19 H19 120.7 . .
C19 C20 C21 121.0(12) . .
C19 C20 S2 121.2(10) . .
C21 C20 S2 117.7(9) . .
C22 C21 C20 118.7(11) . .
C22 C21 H21 120.6 . .
C20 C21 H21 120.6 . .
C21 C22 C17 122.9(13) . .
C21 C22 H22 118.6 . .
C17 C22 H22 118.6 . .
C28 C23 C24 120.4(14) . .
C28 C23 O13 117.7(12) . .
C24 C23 O13 121.4(12) . .
C23 C24 C25 117.9(13) . .
C23 C24 H24 121.0 . .
C25 C24 H24 121.0 . .
C26 C25 C24 121.6(13) . .
C26 C25 H25 119.2 . .
C24 C25 H25 119.2 . .
C25 C26 C27 119.6(13) . .
C25 C26 C30 120.4(13) . .
C27 C26 C30 119.3(12) . .
C26 C27 C28 119.8(13) . .
C26 C27 H27 120.1 . .
C28 C27 H27 120.1 . .
C23 C28 O15 115.3(13) . .
C23 C28 C27 120.6(13) . .
O15 C28 C27 123.8(13) . .
O15 C29 H29A 109.5 . .
O15 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
O15 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
O17 C30 O16 121.2(13) . .
O17 C30 C26 118.0(12) . .
O16 C30 C26 120.8(12) . .
O17 C30 Ho1 59.1(7) . 3_576
O16 C30 Ho1 63.2(7) . 3_576
C26 C30 Ho1 169.7(11) . 3_576
C16 O1 Ho1 132.8(8) . .
Ho1 O2 H2A 110.3 . .
Ho1 O2 H2B 109.8 . .
H2A O2 H2B 108.6 . .
C9 O3 Ho1 155.7(8) . .
C1 O4 Ho1 135.1(8) 4_575 .
C1 O5 Ho1 163.1(9) . .
C6 O6 C8 117.1(10) . .
C9 O7 H7A 109.5 . .
C5 O8 S1 118.3(9) 2_645 .
C16 O11 Ho1 158.9(9) . 4_576
C23 O13 S2 123.1(8) . .
C28 O15 C29 116.8(12) . .
C30 O16 Ho1 90.2(8) . 3_576
C30 O17 Ho1 94.5(7) . 3_576
O10 S1 O9 119.0(6) . .
O10 S1 O8 106.0(5) . .
O9 S1 O8 109.7(5) . .
O10 S1 C13 108.8(6) . .
O9 S1 C13 110.3(5) . .
O8 S1 C13 101.6(6) . .
O12 S2 O14 119.8(6) . .
O12 S2 O13 109.6(6) . .
O14 S2 O13 102.9(5) . .
O12 S2 C20 111.3(6) . .
O14 S2 C20 108.5(6) . .
O13 S2 C20 103.2(6) . .
O5 Ho1 O11 143.5(3) . 4_575
O5 Ho1 O4 82.7(3) . .
O11 Ho1 O4 96.7(3) 4_575 .
O5 Ho1 O1 103.6(3) . .
O11 Ho1 O1 92.5(3) 4_575 .
O4 Ho1 O1 154.5(3) . .
O5 Ho1 O2 145.1(3) . .
O11 Ho1 O2 70.8(3) 4_575 .
O4 Ho1 O2 87.6(3) . .
O1 Ho1 O2 73.0(3) . .
O5 Ho1 O3 73.7(3) . .
O11 Ho1 O3 142.4(3) 4_575 .
O4 Ho1 O3 79.7(3) . .
O1 Ho1 O3 78.5(3) . .
O2 Ho1 O3 71.6(3) . .
O5 Ho1 O17 75.8(3) . 3_576
O11 Ho1 O17 77.2(3) 4_575 3_576
O4 Ho1 O17 130.5(3) . 3_576
O1 Ho1 O17 74.8(3) . 3_576
O2 Ho1 O17 132.9(3) . 3_576
O3 Ho1 O17 132.9(2) . 3_576
O5 Ho1 O16 74.1(3) . 3_576
O11 Ho1 O16 70.0(3) 4_575 3_576
O4 Ho1 O16 78.7(3) . 3_576
O1 Ho1 O16 126.9(3) . 3_576
O2 Ho1 O16 136.4(2) . 3_576
O3 Ho1 O16 143.1(3) . 3_576
O17 Ho1 O16 52.7(2) 3_576 3_576
O5 Ho1 C30 76.1(4) . 3_576
O11 Ho1 C30 68.8(3) 4_575 3_576
O4 Ho1 C30 105.3(3) . 3_576
O1 Ho1 C30 100.3(3) . 3_576
O2 Ho1 C30 138.7(3) . 3_576
O3 Ho1 C30 148.5(3) . 3_576
O17 Ho1 C30 26.4(3) 3_576 3_576
O16 Ho1 C30 26.7(3) 3_576 3_576
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O5 1.259(13) .
C1 O4 1.279(12) 4_576
C1 C2 1.491(16) .
C2 C3 1.369(16) .
C2 C7 1.393(14) .
C3 C4 1.403(16) .
C3 H3 0.9300 .
C4 C5 1.389(14) .
C4 H4 0.9300 .
C5 C6 1.389(16) .
C5 O8 1.420(14) 2_655
C6 O6 1.363(12) .
C6 C7 1.407(16) .
C7 H7 0.9300 .
C8 O6 1.435(13) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 O3 1.250(14) .
C9 O7 1.324(13) .
C9 C10 1.434(15) .
C10 C11 1.408(17) .
C10 C15 1.422(15) .
C11 C12 1.364(15) .
C11 H11 0.9300 .
C12 C13 1.408(15) .
C12 H12 0.9300 .
C13 C14 1.360(17) .
C13 S1 1.774(12) .
C14 C15 1.385(14) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 O1 1.243(11) .
C16 O11 1.278(14) .
C16 C17 1.498(16) .
C17 C18 1.377(16) .
C17 C22 1.386(14) .
C18 C19 1.387(16) .
C18 H18 0.9300 .
C19 C20 1.376(14) .
C19 H19 0.9300 .
C20 C21 1.381(17) .
C20 S2 1.752(13) .
C21 C22 1.337(16) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C28 1.366(17) .
C23 C24 1.379(16) .
C23 O13 1.411(15) .
C24 C25 1.407(17) .
C24 H24 0.9300 .
C25 C26 1.347(17) .
C25 H25 0.9300 .
C26 C27 1.379(16) .
C26 C30 1.497(17) .
C27 C28 1.380(17) .
C27 H27 0.9300 .
C28 O15 1.372(15) .
C29 O15 1.474(14) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 O17 1.262(14) .
C30 O16 1.271(14) .
C30 Ho1 2.832(14) 3_576
O1 Ho1 2.306(7) .
O2 Ho1 2.381(7) .
O2 H2A 0.8657 .
O2 H2B 0.8655 .
O3 Ho1 2.424(8) .
O4 C1 1.279(12) 4_575
O4 Ho1 2.266(7) .
O5 Ho1 2.247(7) .
O7 H7A 0.8200 .
O8 C5 1.420(14) 2_645
O8 S1 1.569(9) .
O9 S1 1.426(9) .
O10 S1 1.424(9) .
O11 Ho1 2.257(7) 4_576
O12 S2 1.427(9) .
O13 S2 1.555(9) .
O14 S2 1.439(9) .
O16 Ho1 2.527(8) 3_576
O17 Ho1 2.438(7) 3_576
Ho1 O11 2.257(7) 4_575
Ho1 O17 2.438(7) 3_576
Ho1 O16 2.527(8) 3_576
Ho1 C30 2.832(14) 3_576
