#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:24:35 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180433 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/02/7210255.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_7210255
loop_
_publ_author_name
'Luo, Yu-Hui'
'Yue, Feng-Xia'
'Yu, Xiao-Yang'
'Chen, Xin'
'Zhang, Hong'
_publ_section_title
;
 Coordination polymers of lanthanide complexes with benzene dicarboxylato
 ligands
;
_journal_issue                   32
_journal_name_full               CrystEngComm
_journal_page_first              6340
_journal_paper_doi               10.1039/c3ce40357b
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C33 H22 Ho O11'
_chemical_formula_sum            'C33 H22 Ho O11'
_chemical_formula_weight         759.44
_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
_cell_angle_alpha                96.308(4)
_cell_angle_beta                 97.128(4)
_cell_angle_gamma                113.890(4)
_cell_formula_units_Z            2
_cell_length_a                   10.1326(5)
_cell_length_b                   10.1834(4)
_cell_length_c                   15.5265(8)
_cell_measurement_reflns_used    3175
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1846
_cell_measurement_theta_min      2.7494
_cell_volume                     1430.69(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0945
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9423
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.75
_exptl_absorpt_coefficient_mu    2.831
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             750
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.563
_refine_diff_density_min         -1.154
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         5591
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0452
_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)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0687
_reflns_number_gt                4764
_reflns_number_total             5591
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40357b.txt
_cod_data_source_block           11
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1430.69(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7210255
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
Ho1 Ho 0.44449(3) 0.63135(2) 0.588462(18) 0.01862(8) Uani 1 1 d .
C1 C 0.4221(5) 0.5789(5) 0.3596(4) 0.0212(13) Uani 1 1 d .
C2 C 0.5344(6) 0.9190(5) 0.6638(4) 0.0249(13) Uani 1 1 d .
C3 C 0.3870(5) 0.6793(5) 0.3061(4) 0.0199(12) Uani 1 1 d .
C4 C 0.5665(5) 1.1749(5) 0.6560(4) 0.0273(14) Uani 1 1 d .
H4 H 0.5252 1.1438 0.5964 0.033 Uiso 1 1 calc R
C5 C 0.5815(5) 1.0752(5) 0.7072(4) 0.0225(13) Uani 1 1 d .
C6 C 0.6415(5) 1.1218(5) 0.7963(4) 0.0218(13) Uani 1 1 d .
C7 C 0.3064(5) 0.7313(5) 0.1678(4) 0.0239(13) Uani 1 1 d .
H7 H 0.2603 0.6989 0.1090 0.029 Uiso 1 1 calc R
C8 C 0.3218(5) 0.6317(5) 0.2182(4) 0.0209(13) Uani 1 1 d .
C9 C 0.6631(6) 1.0242(5) 0.8590(4) 0.0286(15) Uani 1 1 d .
C10 C 0.5282(6) 0.9146(5) 0.8836(4) 0.0302(15) Uani 1 1 d .
C11 C 0.3956(6) 0.9232(6) 0.8718(4) 0.0390(17) Uani 1 1 d .
H11 H 0.3871 0.9987 0.8464 0.047 Uiso 1 1 calc R
C12 C 0.2745(7) 0.8214(7) 0.8971(5) 0.0508(19) Uani 1 1 d .
H12 H 0.1854 0.8288 0.8898 0.061 Uiso 1 1 calc R
C13 C 0.2884(8) 0.7092(7) 0.9332(5) 0.054(2) Uani 1 1 d .
H13 H 0.2071 0.6390 0.9492 0.065 Uiso 1 1 calc R
C14 C 0.4188(8) 0.6990(6) 0.9458(5) 0.055(2) Uani 1 1 d .
H14 H 0.4255 0.6214 0.9695 0.065 Uiso 1 1 calc R
C15 C 0.5409(7) 0.8027(6) 0.9239(5) 0.0426(18) Uani 1 1 d .
H15 H 0.6313 0.7987 0.9357 0.051 Uiso 1 1 calc R
C16 C 0.2587(6) 0.4739(5) 0.1722(4) 0.0256(13) Uani 1 1 d .
C17 C 0.1525(6) 0.3607(5) 0.2125(4) 0.0235(13) Uani 1 1 d .
C18 C 0.1223(6) 0.2153(6) 0.1860(5) 0.0404(17) Uani 1 1 d .
H18 H 0.1682 0.1893 0.1433 0.048 Uiso 1 1 calc R
C19 C 0.0235(7) 0.1093(6) 0.2233(5) 0.050(2) Uani 1 1 d .
H19 H 0.0051 0.0122 0.2059 0.060 Uiso 1 1 calc R
C20 C -0.0470(7) 0.1429(6) 0.2844(5) 0.046(2) Uani 1 1 d .
H20 H -0.1139 0.0693 0.3080 0.056 Uiso 1 1 calc R
C21 C -0.0198(6) 0.2859(6) 0.3117(5) 0.0408(17) Uani 1 1 d .
H21 H -0.0689 0.3097 0.3533 0.049 Uiso 1 1 calc R
C22 C 0.0813(6) 0.3944(6) 0.2767(4) 0.0334(15) Uani 1 1 d .
H22 H 0.1020 0.4915 0.2965 0.040 Uiso 1 1 calc R
C23 C 0.7539(5) 0.7257(5) 0.5028(4) 0.0216(13) Uani 1 1 d .
C24 C 0.8826(5) 0.8666(5) 0.5002(4) 0.0201(12) Uani 1 1 d .
C25 C 0.9040(5) 0.9906(5) 0.5575(4) 0.0226(13) Uani 1 1 d .
H25 H 0.8400 0.9848 0.5965 0.027 Uiso 1 1 calc R
C26 C 0.9784(5) 0.8745(5) 0.4426(4) 0.0189(12) Uani 1 1 d .
C27 C 0.9695(6) 0.7504(5) 0.3763(4) 0.0258(14) Uani 1 1 d .
C28 C 0.8954(6) 0.7326(5) 0.2844(4) 0.0259(14) Uani 1 1 d .
C29 C 0.9554(7) 0.6970(6) 0.2162(4) 0.0351(16) Uani 1 1 d .
H29 H 1.0392 0.6807 0.2280 0.042 Uiso 1 1 calc R
C30 C 0.8918(8) 0.6853(6) 0.1293(5) 0.0511(19) Uani 1 1 d .
H30 H 0.9359 0.6664 0.0834 0.061 Uiso 1 1 calc R
C31 C 0.7644(8) 0.7016(6) 0.1117(5) 0.0484(19) Uani 1 1 d .
H31 H 0.7203 0.6917 0.0537 0.058 Uiso 1 1 calc R
C32 C 0.7015(7) 0.7328(6) 0.1801(5) 0.0412(18) Uani 1 1 d .
H32 H 0.6133 0.7411 0.1678 0.049 Uiso 1 1 calc R
C33 C 0.7672(6) 0.7517(5) 0.2660(4) 0.0322(15) Uani 1 1 d .
H33 H 0.7262 0.7772 0.3117 0.039 Uiso 1 1 calc R
O1 O 0.4522(4) 0.4839(3) 0.3203(3) 0.0273(10) Uani 1 1 d .
O2 O 0.4234(4) 0.5975(4) 0.4408(3) 0.0336(10) Uani 1 1 d .
O3 O 0.4601(4) 0.8712(4) 0.5871(3) 0.0381(11) Uani 1 1 d .
O4 O 0.5740(4) 0.8388(3) 0.7074(3) 0.0281(10) Uani 1 1 d .
O5 O 0.7845(4) 1.0440(4) 0.8919(3) 0.0419(12) Uani 1 1 d .
O6 O 0.2907(5) 0.4458(4) 0.1026(3) 0.0459(12) Uani 1 1 d .
O7 O 0.7323(4) 0.6163(3) 0.4471(3) 0.0259(9) Uani 1 1 d .
O8 O 0.6780(4) 0.7290(3) 0.5608(3) 0.0285(10) Uani 1 1 d .
O9 O 1.0395(4) 0.6793(4) 0.3956(3) 0.0402(11) Uani 1 1 d .
O1W O 0.1983(4) 0.6119(4) 0.5336(3) 0.0443(12) Uani 1 1 d .
H1WA H 0.1383 0.5383 0.5512 0.053 Uiso 1 1 d R
H1WB H 0.1512 0.6323 0.4920 0.053 Uiso 1 1 d R
O2W O 0.3149(4) 0.6035(4) 0.7094(3) 0.0392(11) Uani 1 1 d .
H2WA H 0.2764 0.5153 0.7175 0.047 Uiso 1 1 d R
H2WB H 0.3122 0.6565 0.7558 0.047 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'
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'
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
O2 Ho1 O8 73.63(14) . .
O2 Ho1 O1 123.79(14) . 2_666
O8 Ho1 O1 81.02(12) . 2_666
O2 Ho1 O7 80.66(13) . 2_666
O8 Ho1 O7 128.26(12) . 2_666
O1 Ho1 O7 77.24(12) 2_666 2_666
O2 Ho1 O3 89.31(14) . .
O8 Ho1 O3 84.30(13) . .
O1 Ho1 O3 137.29(13) 2_666 .
O7 Ho1 O3 140.01(12) 2_666 .
O2 Ho1 O2W 145.64(13) . .
O8 Ho1 O2W 140.62(14) . .
O1 Ho1 O2W 75.68(13) 2_666 .
O7 Ho1 O2W 76.68(13) 2_666 .
O3 Ho1 O2W 91.69(14) . .
O2 Ho1 O4 134.84(12) . .
O8 Ho1 O4 76.57(14) . .
O1 Ho1 O4 83.16(12) 2_666 .
O7 Ho1 O4 144.21(13) 2_666 .
O3 Ho1 O4 54.39(12) . .
O2W Ho1 O4 69.55(13) . .
O2 Ho1 O1W 75.60(15) . .
O8 Ho1 O1W 140.75(13) . .
O1 Ho1 O1W 137.25(12) 2_666 .
O7 Ho1 O1W 68.51(12) 2_666 .
O3 Ho1 O1W 71.50(13) . .
O2W Ho1 O1W 72.22(14) . .
O4 Ho1 O1W 110.42(13) . .
O2 Ho1 C2 113.08(15) . .
O8 Ho1 C2 79.86(14) . .
O1 Ho1 C2 110.48(15) 2_666 .
O7 Ho1 C2 151.86(14) 2_666 .
O3 Ho1 C2 27.03(13) . .
O2W Ho1 C2 79.19(15) . .
O4 Ho1 C2 27.38(13) . .
O1W Ho1 C2 90.49(14) . .
O1 C1 O2 123.7(5) . .
O1 C1 C3 117.6(5) . .
O2 C1 C3 118.7(5) . .
O3 C2 O4 121.4(5) . .
O3 C2 C5 121.1(4) . .
O4 C2 C5 117.5(5) . .
O3 C2 Ho1 59.8(3) . .
O4 C2 Ho1 61.6(3) . .
C5 C2 Ho1 178.4(4) . .
C8 C3 C4 120.0(4) . 2_676
C8 C3 C1 120.6(5) . .
C4 C3 C1 119.1(5) 2_676 .
C3 C4 C5 120.4(6) 2_676 .
C3 C4 H4 119.8 2_676 .
C5 C4 H4 119.8 . .
C6 C5 C4 119.5(5) . .
C6 C5 C2 121.2(4) . .
C4 C5 C2 119.3(5) . .
C5 C6 C7 119.3(4) . 2_676
C5 C6 C9 124.6(5) . .
C7 C6 C9 116.0(5) 2_676 .
C6 C7 C8 121.3(5) 2_676 .
C6 C7 H7 119.3 2_676 .
C8 C7 H7 119.3 . .
C3 C8 C7 119.3(5) . .
C3 C8 C16 124.1(4) . .
C7 C8 C16 116.6(5) . .
O5 C9 C10 122.4(4) . .
O5 C9 C6 120.1(5) . .
C10 C9 C6 117.3(5) . .
C11 C10 C15 119.0(5) . .
C11 C10 C9 122.9(4) . .
C15 C10 C9 118.0(5) . .
C10 C11 C12 121.0(5) . .
C10 C11 H11 119.5 . .
C12 C11 H11 119.5 . .
C13 C12 C11 118.7(6) . .
C13 C12 H12 120.6 . .
C11 C12 H12 120.6 . .
C14 C13 C12 121.2(6) . .
C14 C13 H13 119.4 . .
C12 C13 H13 119.4 . .
C13 C14 C15 120.4(5) . .
C13 C14 H14 119.8 . .
C15 C14 H14 119.8 . .
C14 C15 C10 119.5(6) . .
C14 C15 H15 120.2 . .
C10 C15 H15 120.2 . .
O6 C16 C17 122.4(5) . .
O6 C16 C8 119.2(5) . .
C17 C16 C8 118.4(5) . .
C18 C17 C22 118.1(5) . .
C18 C17 C16 119.4(6) . .
C22 C17 C16 122.5(5) . .
C19 C18 C17 119.7(6) . .
C19 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
C20 C19 C18 121.8(6) . .
C20 C19 H19 119.1 . .
C18 C19 H19 119.1 . .
C19 C20 C21 119.9(6) . .
C19 C20 H20 120.1 . .
C21 C20 H20 120.1 . .
C20 C21 C22 119.4(6) . .
C20 C21 H21 120.3 . .
C22 C21 H21 120.3 . .
C21 C22 C17 121.1(5) . .
C21 C22 H22 119.4 . .
C17 C22 H22 119.4 . .
O7 C23 O8 126.2(4) . .
O7 C23 C24 117.1(5) . .
O8 C23 C24 116.7(5) . .
C25 C24 C26 119.8(4) . .
C25 C24 C23 118.3(5) . .
C26 C24 C23 121.9(5) . .
C24 C25 C26 120.8(5) . 2_776
C24 C25 H25 119.6 . .
C26 C25 H25 119.6 2_776 .
C24 C26 C25 119.4(5) . 2_776
C24 C26 C27 126.2(4) . .
C25 C26 C27 114.4(5) 2_776 .
O9 C27 C28 121.2(5) . .
O9 C27 C26 120.2(5) . .
C28 C27 C26 117.9(4) . .
C29 C28 C33 119.3(6) . .
C29 C28 C27 119.0(5) . .
C33 C28 C27 121.6(6) . .
C28 C29 C30 120.4(6) . .
C28 C29 H29 119.8 . .
C30 C29 H29 119.8 . .
C31 C30 C29 119.8(7) . .
C31 C30 H30 120.1 . .
C29 C30 H30 120.1 . .
C30 C31 C32 119.8(7) . .
C30 C31 H31 120.1 . .
C32 C31 H31 120.1 . .
C33 C32 C31 120.8(6) . .
C33 C32 H32 119.6 . .
C31 C32 H32 119.6 . .
C32 C33 C28 119.7(6) . .
C32 C33 H33 120.1 . .
C28 C33 H33 120.1 . .
C1 O1 Ho1 115.3(3) . 2_666
C1 O2 Ho1 175.2(4) . .
C2 O3 Ho1 93.2(3) . .
C2 O4 Ho1 91.0(3) . .
C23 O7 Ho1 135.4(3) . 2_666
C23 O8 Ho1 143.0(4) . .
Ho1 O1W H1WA 106.2 . .
Ho1 O1W H1WB 141.2 . .
H1WA O1W H1WB 108.4 . .
Ho1 O2W H2WA 112.5 . .
Ho1 O2W H2WB 138.7 . .
H2WA O2W H2WB 106.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 O2 2.250(4) .
Ho1 O8 2.283(3) .
Ho1 O1 2.339(3) 2_666
Ho1 O7 2.380(3) 2_666
Ho1 O3 2.386(3) .
Ho1 O2W 2.399(4) .
Ho1 O4 2.427(4) .
Ho1 O1W 2.454(4) .
Ho1 C2 2.757(5) .
C1 O1 1.248(6) .
C1 O2 1.252(7) .
C1 C3 1.506(6) .
C2 O3 1.255(6) .
C2 O4 1.268(5) .
C2 C5 1.510(7) .
C3 C8 1.380(7) .
C3 C4 1.395(7) 2_676
C4 C3 1.395(7) 2_676
C4 C5 1.399(6) .
C4 H4 0.9300 .
C5 C6 1.387(8) .
C6 C7 1.389(7) 2_676
C6 C9 1.523(6) .
C7 C6 1.389(7) 2_676
C7 C8 1.392(6) .
C7 H7 0.9300 .
C8 C16 1.518(7) .
C9 O5 1.198(6) .
C9 C10 1.499(7) .
C10 C11 1.372(7) .
C10 C15 1.401(6) .
C11 C12 1.383(8) .
C11 H11 0.9300 .
C12 C13 1.375(8) .
C12 H12 0.9300 .
C13 C14 1.359(8) .
C13 H13 0.9300 .
C14 C15 1.373(8) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 O6 1.205(7) .
C16 C17 1.483(7) .
C17 C18 1.386(7) .
C17 C22 1.392(8) .
C18 C19 1.382(8) .
C18 H18 0.9300 .
C19 C20 1.350(10) .
C19 H19 0.9300 .
C20 C21 1.374(8) .
C20 H20 0.9300 .
C21 C22 1.385(7) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 O7 1.258(7) .
C23 O8 1.260(7) .
C23 C24 1.506(6) .
C24 C25 1.384(7) .
C24 C26 1.385(7) .
C25 C26 1.408(6) 2_776
C25 H25 0.9300 .
C26 C25 1.408(6) 2_776
C26 C27 1.504(8) .
C27 O9 1.235(6) .
C27 C28 1.484(8) .
C28 C29 1.370(8) .
C28 C33 1.389(7) .
C29 C30 1.390(9) .
C29 H29 0.9300 .
C30 C31 1.366(9) .
C30 H30 0.9300 .
C31 C32 1.375(10) .
C31 H31 0.9300 .
C32 C33 1.370(8) .
C32 H32 0.9300 .
C33 H33 0.9300 .
O1 Ho1 2.339(3) 2_666
O7 Ho1 2.380(3) 2_666
O1W H1WA 0.8500 .
O1W H1WB 0.8501 .
O2W H2WA 0.8530 .
O2W H2WB 0.8624 .
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
O2 Ho1 C2 O3 30.2(4) . .
O8 Ho1 C2 O3 97.4(4) . .
O1 Ho1 C2 O3 173.7(3) 2_666 .
O7 Ho1 C2 O3 -84.8(5) 2_666 .
O2W Ho1 C2 O3 -116.1(4) . .
O4 Ho1 C2 O3 177.7(5) . .
O1W Ho1 C2 O3 -44.3(4) . .
O2 Ho1 C2 O4 -147.5(3) . .
O8 Ho1 C2 O4 -80.3(3) . .
O1 Ho1 C2 O4 -4.0(3) 2_666 .
O7 Ho1 C2 O4 97.4(4) 2_666 .
O3 Ho1 C2 O4 -177.7(5) . .
O2W Ho1 C2 O4 66.1(3) . .
O1W Ho1 C2 O4 137.9(3) . .
O1 C1 C3 C8 30.6(7) . .
O2 C1 C3 C8 -151.3(5) . .
O1 C1 C3 C4 -143.5(5) . 2_676
O2 C1 C3 C4 34.6(7) . 2_676
C3 C4 C5 C6 0.8(8) 2_676 .
C3 C4 C5 C2 -178.2(5) 2_676 .
O3 C2 C5 C6 169.0(5) . .
O4 C2 C5 C6 -11.8(8) . .
O3 C2 C5 C4 -12.1(8) . .
O4 C2 C5 C4 167.2(5) . .
C4 C5 C6 C7 -3.8(8) . 2_676
C2 C5 C6 C7 175.2(5) . 2_676
C4 C5 C6 C9 179.7(5) . .
C2 C5 C6 C9 -1.3(8) . .
C4 C3 C8 C7 1.5(8) 2_676 .
C1 C3 C8 C7 -172.5(5) . .
C4 C3 C8 C16 -175.9(5) 2_676 .
C1 C3 C8 C16 10.0(8) . .
C6 C7 C8 C3 1.5(8) 2_676 .
C6 C7 C8 C16 179.2(5) 2_676 .
C5 C6 C9 O5 114.1(7) . .
C7 C6 C9 O5 -62.4(8) 2_676 .
C5 C6 C9 C10 -71.6(8) . .
C7 C6 C9 C10 111.8(6) 2_676 .
O5 C9 C10 C11 156.8(7) . .
C6 C9 C10 C11 -17.4(9) . .
O5 C9 C10 C15 -20.2(9) . .
C6 C9 C10 C15 165.6(6) . .
C15 C10 C11 C12 -1.6(10) . .
C9 C10 C11 C12 -178.6(6) . .
C10 C11 C12 C13 -1.0(11) . .
C11 C12 C13 C14 1.4(12) . .
C12 C13 C14 C15 1.0(12) . .
C13 C14 C15 C10 -3.7(11) . .
C11 C10 C15 C14 4.0(10) . .
C9 C10 C15 C14 -178.9(6) . .
C3 C8 C16 O6 -131.6(6) . .
C7 C8 C16 O6 50.8(7) . .
C3 C8 C16 C17 52.0(7) . .
C7 C8 C16 C17 -125.5(5) . .
O6 C16 C17 C18 20.2(8) . .
C8 C16 C17 C18 -163.5(5) . .
O6 C16 C17 C22 -160.0(6) . .
C8 C16 C17 C22 16.3(7) . .
C22 C17 C18 C19 0.1(8) . .
C16 C17 C18 C19 180.0(5) . .
C17 C18 C19 C20 1.1(10) . .
C18 C19 C20 C21 -0.8(11) . .
C19 C20 C21 C22 -0.7(9) . .
C20 C21 C22 C17 2.0(9) . .
C18 C17 C22 C21 -1.6(8) . .
C16 C17 C22 C21 178.5(5) . .
O7 C23 C24 C25 176.4(4) . .
O8 C23 C24 C25 -3.5(7) . .
O7 C23 C24 C26 -3.6(7) . .
O8 C23 C24 C26 176.5(5) . .
C26 C24 C25 C26 0.6(8) . 2_776
C23 C24 C25 C26 -179.4(4) . 2_776
C25 C24 C26 C25 -0.6(8) . 2_776
C23 C24 C26 C25 179.4(4) . 2_776
C25 C24 C26 C27 -179.6(5) . .
C23 C24 C26 C27 0.4(8) . .
C24 C26 C27 O9 -94.1(7) . .
C25 C26 C27 O9 86.8(6) 2_776 .
C24 C26 C27 C28 95.7(6) . .
C25 C26 C27 C28 -83.4(6) 2_776 .
O9 C27 C28 C29 -31.2(7) . .
C26 C27 C28 C29 138.9(5) . .
O9 C27 C28 C33 149.1(5) . .
C26 C27 C28 C33 -40.8(7) . .
C33 C28 C29 C30 2.3(8) . .
C27 C28 C29 C30 -177.4(5) . .
C28 C29 C30 C31 -3.5(9) . .
C29 C30 C31 C32 1.4(9) . .
C30 C31 C32 C33 1.8(9) . .
C31 C32 C33 C28 -3.0(8) . .
C29 C28 C33 C32 0.9(7) . .
C27 C28 C33 C32 -179.4(4) . .
O2 C1 O1 Ho1 -11.1(6) . 2_666
C3 C1 O1 Ho1 166.9(3) . 2_666
O1W Ho1 O2 C1 -179(100) . .
C2 Ho1 O2 C1 97(4) . .
O4 C2 O3 Ho1 2.3(6) . .
C5 C2 O3 Ho1 -178.4(4) . .
O2 Ho1 O3 C2 -152.4(4) . .
O8 Ho1 O3 C2 -78.8(3) . .
O1 Ho1 O3 C2 -8.7(4) 2_666 .
O7 Ho1 O3 C2 133.0(3) 2_666 .
O2W Ho1 O3 C2 61.9(3) . .
O4 Ho1 O3 C2 -1.3(3) . .
O1W Ho1 O3 C2 132.5(4) . .
O3 C2 O4 Ho1 -2.3(6) . .
C5 C2 O4 Ho1 178.5(4) . .
O2 Ho1 O4 C2 44.1(4) . .
O8 Ho1 O4 C2 93.9(3) . .
O1 Ho1 O4 C2 176.2(3) 2_666 .
O7 Ho1 O4 C2 -126.9(3) 2_666 .
O3 Ho1 O4 C2 1.3(3) . .
O2W Ho1 O4 C2 -106.5(3) . .
O1W Ho1 O4 C2 -45.7(3) . .
O8 C23 O7 Ho1 1.1(8) . 2_666
C24 C23 O7 Ho1 -178.8(3) . 2_666
O7 C23 O8 Ho1 -33.1(9) . .
C24 C23 O8 Ho1 146.8(4) . .
O2 Ho1 O8 C23 -21.1(5) . .
O1 Ho1 O8 C23 108.2(5) 2_666 .
O7 Ho1 O8 C23 42.3(6) 2_666 .
O3 Ho1 O8 C23 -112.1(5) . .
O2W Ho1 O8 C23 162.2(5) . .
O4 Ho1 O8 C23 -166.8(5) . .
O1W Ho1 O8 C23 -60.8(6) . .
C2 Ho1 O8 C23 -139.0(5) . .
