#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/54/7025456.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_7025456
loop_
_publ_author_name
'Lin, Po-Heng'
'Leclère, Mathieu'
'Long, Jérôme'
'Burchell, Tara J.'
'Korobkov, Ilia'
'Clérac, Rodolphe'
'Murugesu, Muralee'
_publ_section_title
;
 Fluorescent dialdehyde ligand for the encapsulation of dinuclear
 luminescent lanthanide complexes.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5698
_journal_page_last               5704
_journal_paper_doi               10.1039/c000978d
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C52 H36 Ho2 N2 O18'
_chemical_formula_weight         1306.69
_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                102.452(3)
_cell_angle_beta                 103.968(3)
_cell_angle_gamma                101.487(3)
_cell_formula_units_Z            1
_cell_length_a                   8.6191(18)
_cell_length_b                   12.036(3)
_cell_length_c                   12.555(3)
_cell_measurement_reflns_used    4951
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      25.13
_cell_measurement_theta_min      2.53
_cell_volume                     1190.1(5)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_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  0.0827
_diffrn_reflns_av_sigmaI/netI    0.1164
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11020
_diffrn_reflns_theta_full        25.46
_diffrn_reflns_theta_max         25.46
_diffrn_reflns_theta_min         2.68
_exptl_absorpt_coefficient_mu    3.382
_exptl_absorpt_correction_T_max  0.7285
_exptl_absorpt_correction_T_min  0.6310
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.119
_refine_diff_density_min         -1.311
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         4285
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.957
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0451
_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)+(0.0271P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.0884
_reflns_number_gt                3100
_reflns_number_total             4285
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c000978d.txt
_cod_data_source_block           sad
_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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' 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_cell_volume        1190.1(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7025456
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
C1 C 0.2822(11) 0.1918(7) 0.9767(7) 0.041(2) Uani 1 1 d .
H1A H 0.1952 0.1380 0.9156 0.050 Uiso 1 1 calc R
C2 C 0.4051(9) 0.2732(7) 0.9470(6) 0.0321(18) Uani 1 1 d .
C3 C 0.5469(11) 0.3431(7) 1.0335(6) 0.042(2) Uani 1 1 d .
H3A H 0.5603 0.3361 1.1081 0.050 Uiso 1 1 calc R
C4 C 0.6685(11) 0.4223(7) 1.0135(7) 0.049(2) Uani 1 1 d .
H4A H 0.7612 0.4706 1.0738 0.059 Uiso 1 1 calc R
C5 C 0.6514(10) 0.4294(7) 0.9022(6) 0.038(2) Uani 1 1 d .
H5A H 0.7337 0.4828 0.8875 0.046 Uiso 1 1 calc R
C6 C 0.5144(9) 0.3587(6) 0.8125(6) 0.0309(18) Uani 1 1 d .
C7 C 0.3830(10) 0.2790(6) 0.8318(6) 0.0281(17) Uani 1 1 d .
C8 C 0.5112(10) 0.3676(7) 0.7010(7) 0.039(2) Uani 1 1 d .
H8A H 0.5991 0.4247 0.6960 0.047 Uiso 1 1 calc R
C9 C 0.4096(11) 0.0055(7) 0.6701(7) 0.040(2) Uani 1 1 d .
H9A H 0.5135 -0.0110 0.6871 0.049 Uiso 1 1 calc R
C10 C 0.2976(10) -0.0384(6) 0.7309(6) 0.0314(19) Uani 1 1 d .
C11 C 0.3604(10) -0.0730(7) 0.8284(6) 0.0362(19) Uani 1 1 d .
H11A H 0.4740 -0.0688 0.8525 0.043 Uiso 1 1 calc R
C12 C 0.2598(11) -0.1130(7) 0.8898(6) 0.040(2) Uani 1 1 d .
H12A H 0.3045 -0.1334 0.9566 0.048 Uiso 1 1 calc R
C13 C 0.0908(11) -0.1228(7) 0.8513(6) 0.040(2) Uani 1 1 d .
H13A H 0.0229 -0.1476 0.8948 0.049 Uiso 1 1 calc R
C14 C 0.0177(10) -0.0968(6) 0.7498(6) 0.0302(18) Uani 1 1 d .
C15 C 0.1246(10) -0.0511(6) 0.6887(6) 0.0318(19) Uani 1 1 d .
C16 C 0.1596(10) 0.1178(7) 0.2895(7) 0.036(2) Uani 1 1 d .
H16 H 0.2167 0.1267 0.2355 0.043 Uiso 1 1 calc R
C17 C -0.1925(11) 0.2192(7) 0.5718(7) 0.039(2) Uani 1 1 d .
H17A H -0.2862 0.2046 0.5977 0.047 Uiso 1 1 calc R
C18 C -0.1997(10) 0.2864(7) 0.4879(6) 0.0320(19) Uani 1 1 d .
C19 C -0.3414(11) 0.3204(7) 0.4487(7) 0.043(2) Uani 1 1 d .
H19A H -0.4328 0.2962 0.4746 0.052 Uiso 1 1 calc R
C20 C -0.3554(11) 0.3882(8) 0.3732(7) 0.050(2) Uani 1 1 d .
H20A H -0.4541 0.4095 0.3475 0.060 Uiso 1 1 calc R
C21 C -0.2194(11) 0.4242(7) 0.3359(7) 0.043(2) Uani 1 1 d .
H21A H -0.2264 0.4717 0.2855 0.051 Uiso 1 1 calc R
C22 C -0.0734(10) 0.3921(6) 0.3711(6) 0.0332(19) Uani 1 1 d .
C23 C -0.0593(11) 0.3229(6) 0.4496(6) 0.0301(19) Uani 1 1 d .
C24 C 0.0641(11) 0.4271(7) 0.3252(7) 0.045(2) Uani 1 1 d .
H24A H 0.1621 0.4061 0.3539 0.055 Uiso 1 1 calc R
C40 C 0.8583(13) 0.2054(9) 0.8617(7) 0.057(3) Uani 1 1 d .
C41 C 0.9834(12) 0.3158(8) 0.8820(8) 0.065(3) Uani 1 1 d .
H41A H 1.0322 0.3516 0.9636 0.098 Uiso 1 1 calc R
H41B H 0.9316 0.3694 0.8478 0.098 Uiso 1 1 calc R
H41C H 1.0691 0.2995 0.8480 0.098 Uiso 1 1 calc R
Ho1 Ho 0.16048(5) 0.15382(3) 0.55888(3) 0.02728(13) Uani 1 1 d .
O1 O 0.2816(8) 0.1870(6) 1.0703(5) 0.0652(19) Uani 1 1 d .
O2 O 0.2496(6) 0.2176(4) 0.7516(4) 0.0314(12) Uani 1 1 d .
O3 O 0.4043(6) 0.3078(4) 0.6083(4) 0.0342(13) Uani 1 1 d .
O4 O 0.3852(6) 0.0613(5) 0.5997(4) 0.0379(13) Uani 1 1 d .
O5 O 0.0615(6) -0.0246(4) 0.5938(4) 0.0260(11) Uani 1 1 d .
O6 O 0.2447(6) 0.1253(4) 0.3864(4) 0.0362(13) Uani 1 1 d .
O7 O -0.0809(7) 0.1800(5) 0.6119(4) 0.0375(13) Uani 1 1 d .
O8 O 0.0778(6) 0.2916(4) 0.4835(4) 0.0325(13) Uani 1 1 d .
O9 O 0.0630(8) 0.4803(5) 0.2540(5) 0.0621(18) Uani 1 1 d .
N40 N 0.7704(14) 0.1199(9) 0.8493(8) 0.098(4) 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'
N N 0.0061 0.0033 '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'
Ho Ho -0.2175 4.6783 '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 C1 C2 126.5(8) . .
C3 C2 C7 120.3(7) . .
C3 C2 C1 118.3(7) . .
C7 C2 C1 121.3(7) . .
C4 C3 C2 122.3(7) . .
C3 C4 C5 118.8(8) . .
C6 C5 C4 121.0(7) . .
C5 C6 C8 117.2(7) . .
C5 C6 C7 121.3(7) . .
C8 C6 C7 121.6(7) . .
O2 C7 C2 120.9(6) . .
O2 C7 C6 122.8(6) . .
C2 C7 C6 116.3(7) . .
O3 C8 C6 127.4(7) . .
O4 C9 C10 128.1(8) . .
C11 C10 C15 120.1(7) . .
C11 C10 C9 119.5(8) . .
C15 C10 C9 120.3(7) . .
C12 C11 C10 121.6(8) . .
C11 C12 C13 118.9(7) . .
C12 C13 C14 122.4(7) . .
C13 C14 C15 118.1(7) . .
C13 C14 C16 119.4(7) . 2_556
C15 C14 C16 122.5(7) . 2_556
O5 C15 C10 121.2(6) . .
O5 C15 C14 120.0(7) . .
C10 C15 C14 118.7(6) . .
O6 C16 C14 126.9(7) . 2_556
O7 C17 C18 127.8(7) . .
C19 C18 C23 119.2(7) . .
C19 C18 C17 119.5(7) . .
C23 C18 C17 121.2(7) . .
C18 C19 C20 123.0(8) . .
C19 C20 C21 118.1(8) . .
C22 C21 C20 121.9(8) . .
C21 C22 C23 119.8(7) . .
C21 C22 C24 120.0(7) . .
C23 C22 C24 120.2(8) . .
O8 C23 C22 120.5(7) . .
O8 C23 C18 121.5(6) . .
C22 C23 C18 118.0(8) . .
O9 C24 C22 126.0(9) . .
N40 C40 C41 176.3(13) . .
O8 Ho1 O2 111.26(17) . .
O8 Ho1 O5 142.46(18) . .
O2 Ho1 O5 82.52(16) . .
O8 Ho1 O5 83.30(17) . 2_556
O2 Ho1 O5 141.85(15) . 2_556
O5 Ho1 O5 67.17(17) . 2_556
O8 Ho1 O3 75.67(18) . .
O2 Ho1 O3 73.42(16) . .
O5 Ho1 O3 141.27(17) . .
O5 Ho1 O3 144.40(15) 2_556 .
O8 Ho1 O7 72.83(17) . .
O2 Ho1 O7 75.61(18) . .
O5 Ho1 O7 77.62(17) . .
O5 Ho1 O7 75.68(17) 2_556 .
O3 Ho1 O7 123.05(18) . .
O8 Ho1 O6 77.46(17) . .
O2 Ho1 O6 145.12(18) . .
O5 Ho1 O6 111.64(16) . .
O5 Ho1 O6 70.93(16) 2_556 .
O3 Ho1 O6 76.61(17) . .
O7 Ho1 O6 137.28(18) . .
O8 Ho1 O4 144.24(17) . .
O2 Ho1 O4 79.31(17) . .
O5 Ho1 O4 70.86(16) . .
O5 Ho1 O4 109.87(17) 2_556 .
O3 Ho1 O4 75.12(17) . .
O7 Ho1 O4 141.78(17) . .
O6 Ho1 O4 76.09(17) . .
O8 Ho1 Ho1 113.75(13) . 2_556
O2 Ho1 Ho1 113.39(12) . 2_556
O5 Ho1 Ho1 33.80(11) . 2_556
O5 Ho1 Ho1 33.36(10) 2_556 2_556
O3 Ho1 Ho1 163.01(12) . 2_556
O7 Ho1 Ho1 73.91(13) . 2_556
O6 Ho1 Ho1 91.31(12) . 2_556
O4 Ho1 Ho1 90.54(12) . 2_556
C7 O2 Ho1 138.7(4) . .
C8 O3 Ho1 134.1(4) . .
C9 O4 Ho1 126.3(5) . .
C15 O5 Ho1 123.6(4) . .
C15 O5 Ho1 123.6(4) . 2_556
Ho1 O5 Ho1 112.84(17) . 2_556
C16 O6 Ho1 126.9(5) . .
C17 O7 Ho1 132.4(5) . .
C23 O8 Ho1 138.7(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.190(8) .
C1 C2 1.468(10) .
C2 C3 1.392(10) .
C2 C7 1.432(10) .
C3 C4 1.380(11) .
C4 C5 1.392(10) .
C5 C6 1.389(10) .
C6 C8 1.421(10) .
C6 C7 1.436(9) .
C7 O2 1.291(8) .
C8 O3 1.256(9) .
C9 O4 1.225(9) .
C9 C10 1.456(10) .
C10 C11 1.397(10) .
C10 C15 1.421(11) .
C11 C12 1.377(10) .
C12 C13 1.392(12) .
C13 C14 1.408(11) .
C14 C15 1.436(9) .
C14 C16 1.439(11) 2_556
C15 O5 1.318(8) .
C16 O6 1.233(9) .
C16 C14 1.439(11) 2_556
C17 O7 1.204(9) .
C17 C18 1.457(11) .
C18 C19 1.377(11) .
C18 C23 1.432(10) .
C19 C20 1.378(11) .
C20 C21 1.389(11) .
C21 C22 1.388(11) .
C22 C23 1.419(10) .
C22 C24 1.466(10) .
C23 O8 1.312(9) .
C24 O9 1.206(9) .
C40 N40 1.105(11) .
C40 C41 1.464(13) .
Ho1 O8 2.231(5) .
Ho1 O2 2.258(5) .
Ho1 O5 2.321(4) .
Ho1 O5 2.348(5) 2_556
Ho1 O3 2.358(5) .
Ho1 O7 2.389(5) .
Ho1 O6 2.423(5) .
Ho1 O4 2.425(5) .
Ho1 Ho1 3.8903(10) 2_556
O5 Ho1 2.348(5) 2_556
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
O1 C1 C2 C3 8.4(13) . .
O1 C1 C2 C7 -173.2(8) . .
C7 C2 C3 C4 1.8(12) . .
C1 C2 C3 C4 -179.8(8) . .
C2 C3 C4 C5 -2.3(13) . .
C3 C4 C5 C6 0.3(13) . .
C4 C5 C6 C8 -177.0(8) . .
C4 C5 C6 C7 2.3(12) . .
C3 C2 C7 O2 -177.7(7) . .
C1 C2 C7 O2 4.0(11) . .
C3 C2 C7 C6 0.7(11) . .
C1 C2 C7 C6 -177.7(7) . .
C5 C6 C7 O2 175.6(7) . .
C8 C6 C7 O2 -5.2(11) . .
C5 C6 C7 C2 -2.7(11) . .
C8 C6 C7 C2 176.5(7) . .
C5 C6 C8 O3 176.1(8) . .
C7 C6 C8 O3 -3.2(13) . .
O4 C9 C10 C11 -163.5(8) . .
O4 C9 C10 C15 19.3(12) . .
C15 C10 C11 C12 -4.1(12) . .
C9 C10 C11 C12 178.8(7) . .
C10 C11 C12 C13 2.2(12) . .
C11 C12 C13 C14 2.1(12) . .
C12 C13 C14 C15 -4.3(11) . .
C12 C13 C14 C16 175.1(7) . 2_556
C11 C10 C15 O5 -176.6(7) . .
C9 C10 C15 O5 0.5(11) . .
C11 C10 C15 C14 1.7(11) . .
C9 C10 C15 C14 178.8(7) . .
C13 C14 C15 O5 -179.3(7) . .
C16 C14 C15 O5 1.3(11) 2_556 .
C13 C14 C15 C10 2.3(10) . .
C16 C14 C15 C10 -177.1(7) 2_556 .
O7 C17 C18 C19 177.6(8) . .
O7 C17 C18 C23 -5.5(13) . .
C23 C18 C19 C20 0.2(12) . .
C17 C18 C19 C20 177.2(8) . .
C18 C19 C20 C21 -0.4(13) . .
C19 C20 C21 C22 1.1(13) . .
C20 C21 C22 C23 -1.6(12) . .
C20 C21 C22 C24 176.9(7) . .
C21 C22 C23 O8 179.8(7) . .
C24 C22 C23 O8 1.3(11) . .
C21 C22 C23 C18 1.4(11) . .
C24 C22 C23 C18 -177.2(7) . .
C19 C18 C23 O8 -179.1(7) . .
C17 C18 C23 O8 3.9(11) . .
C19 C18 C23 C22 -0.7(11) . .
C17 C18 C23 C22 -177.6(7) . .
C21 C22 C24 O9 -2.6(13) . .
C23 C22 C24 O9 176.0(8) . .
C2 C7 O2 Ho1 -162.2(5) . .
C6 C7 O2 Ho1 19.5(11) . .
O8 Ho1 O2 C7 -83.9(7) . .
O5 Ho1 O2 C7 132.3(7) . .
O5 Ho1 O2 C7 169.1(6) 2_556 .
O3 Ho1 O2 C7 -17.0(7) . .
O7 Ho1 O2 C7 -148.6(7) . .
O6 Ho1 O2 C7 14.8(8) . .
O4 Ho1 O2 C7 60.5(7) . .
Ho1 Ho1 O2 C7 146.4(7) 2_556 .
C6 C8 O3 Ho1 -0.6(12) . .
O8 Ho1 O3 C8 124.6(7) . .
O2 Ho1 O3 C8 6.8(7) . .
O5 Ho1 O3 C8 -47.1(8) . .
O5 Ho1 O3 C8 -179.7(6) 2_556 .
O7 Ho1 O3 C8 66.6(7) . .
O6 Ho1 O3 C8 -155.1(7) . .
O4 Ho1 O3 C8 -76.2(7) . .
Ho1 Ho1 O3 C8 -109.5(7) 2_556 .
C10 C9 O4 Ho1 12.6(11) . .
O8 Ho1 O4 C9 159.5(6) . .
O2 Ho1 O4 C9 47.8(6) . .
O5 Ho1 O4 C9 -37.9(6) . .
O5 Ho1 O4 C9 -93.7(6) 2_556 .
O3 Ho1 O4 C9 123.3(6) . .
O7 Ho1 O4 C9 -1.8(8) . .
O6 Ho1 O4 C9 -157.1(6) . .
Ho1 Ho1 O4 C9 -65.9(6) 2_556 .
C10 C15 O5 Ho1 -51.3(9) . .
C14 C15 O5 Ho1 130.3(6) . .
C10 C15 O5 Ho1 127.7(6) . 2_556
C14 C15 O5 Ho1 -50.6(8) . 2_556
O8 Ho1 O5 C15 -140.0(5) . .
O2 Ho1 O5 C15 -24.5(5) . .
O5 Ho1 O5 C15 179.1(6) 2_556 .
O3 Ho1 O5 C15 26.9(6) . .
O7 Ho1 O5 C15 -101.4(5) . .
O6 Ho1 O5 C15 122.4(5) . .
O4 Ho1 O5 C15 56.7(5) . .
Ho1 Ho1 O5 C15 179.1(6) 2_556 .
O8 Ho1 O5 Ho1 40.9(3) . 2_556
O2 Ho1 O5 Ho1 156.3(2) . 2_556
O5 Ho1 O5 Ho1 0.0 2_556 2_556
O3 Ho1 O5 Ho1 -152.3(2) . 2_556
O7 Ho1 O5 Ho1 79.5(2) . 2_556
O6 Ho1 O5 Ho1 -56.7(2) . 2_556
O4 Ho1 O5 Ho1 -122.4(2) . 2_556
C14 C16 O6 Ho1 -15.5(11) 2_556 .
O8 Ho1 O6 C16 -48.1(6) . .
O2 Ho1 O6 C16 -157.4(5) . .
O5 Ho1 O6 C16 93.7(6) . .
O5 Ho1 O6 C16 39.0(6) 2_556 .
O3 Ho1 O6 C16 -126.1(6) . .
O7 Ho1 O6 C16 -1.5(7) . .
O4 Ho1 O6 C16 156.2(6) . .
Ho1 Ho1 O6 C16 65.9(6) 2_556 .
C18 C17 O7 Ho1 -13.5(13) . .
O8 Ho1 O7 C17 21.6(7) . .
O2 Ho1 O7 C17 139.7(7) . .
O5 Ho1 O7 C17 -135.0(7) . .
O5 Ho1 O7 C17 -65.7(7) 2_556 .
O3 Ho1 O7 C17 80.9(7) . .
O6 Ho1 O7 C17 -26.4(8) . .
O4 Ho1 O7 C17 -169.8(6) . .
Ho1 Ho1 O7 C17 -100.3(7) 2_556 .
C22 C23 O8 Ho1 -158.6(5) . .
C18 C23 O8 Ho1 19.8(10) . .
O2 Ho1 O8 C23 -92.3(7) . .
O5 Ho1 O8 C23 13.8(8) . .
O5 Ho1 O8 C23 51.2(6) 2_556 .
O3 Ho1 O8 C23 -157.8(7) . .
O7 Ho1 O8 C23 -25.8(6) . .
O6 Ho1 O8 C23 123.1(7) . .
O4 Ho1 O8 C23 166.2(6) . .
Ho1 Ho1 O8 C23 37.2(7) 2_556 .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139161630
