#------------------------------------------------------------------------------
#$Date: 2025-04-05 05:45:22 +0200 (Sat 05 de Apr de 2025) $
#$Revision: 299018 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/36/7063614.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_7063614
loop_
_publ_author_name
'Sen, Charanjeet'
'Singh, Rohit'
'Devi, Swaita'
Niharika,
'Singhaal, Richa'
'Sahoo, Subash Chandra'
'Sheikh, Haq Nawaz'
_publ_section_title
;
 Design and synthesis of 2D coordination polymers from isophthalic and
 adipic acids: exploring Tb-based luminescent sensors for Cr3+, Fe3+ and
 p-NA
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2350
_journal_page_last               2364
_journal_paper_doi               10.1039/D4NJ05061D
_journal_volume                  49
_journal_year                    2025
_chemical_formula_moiety         'C11 H12 Ho O8'
_chemical_formula_sum            'C11 H12 Ho O8'
_chemical_formula_weight         437.14
_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   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2024-07-12
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2024-11-22 deposited with the CCDC.	2025-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                92.980(2)
_cell_angle_beta                 108.078(2)
_cell_angle_gamma                108.891(3)
_cell_formula_units_Z            2
_cell_length_a                   6.7860(2)
_cell_length_b                   10.0313(3)
_cell_length_c                   10.4990(3)
_cell_measurement_reflns_used    6582
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.3370
_cell_measurement_theta_min      3.3670
_cell_volume                     633.51(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.31d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.31d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.31d (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -24.00   2.00   0.50    2.50    --   -9.95 -92.00  54.00   52
  2  ω    -30.00  26.00   0.50    2.50    --   -9.95  92.00 167.00  112
  3  ω    -18.00   7.00   0.50    2.50    --   10.22 -92.00  54.00   50
  4  ω    -14.00  23.00   0.50    2.50    --   10.22  92.00 167.00   74
  5  ω    -58.00  -4.00   0.50    2.50    --   -9.95 125.00   0.00  108
  6  ω    -72.00 -23.00   0.50    2.50    --   -9.95 -38.00  60.00   98
  7  ω    -51.00 -25.00   0.50    2.50    --   -9.95 125.00-180.00   52
  8  ω     -5.00  48.00   0.50    2.50    --   -9.95  57.00-120.00  106
  9  ω    -55.00 -16.00   0.50    2.50    --   -9.95 125.00 -90.00   78
 10  ω    -24.00   2.00   0.50    2.50    --   -9.95  57.00  30.00   52
 11  ω     16.00  44.00   0.50    2.50    --   -9.95  57.00  30.00   56
 12  ω    -46.00  17.00   0.50    2.50    --   10.22 -57.00 120.00  126
 13  ω    -35.00   1.00   0.50    2.50    --   10.22 120.00 -81.12   72
 14  ω    -54.00   7.00   0.50    2.50    --   10.22 -38.00 -30.00  122
 15  ω     18.00  71.00   0.50    2.50    --   10.22  38.00 -30.00  106
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0704471000
_diffrn_orient_matrix_UB_12      -0.0251113000
_diffrn_orient_matrix_UB_13      -0.0241820000
_diffrn_orient_matrix_UB_21      0.0350793000
_diffrn_orient_matrix_UB_22      -0.0254371000
_diffrn_orient_matrix_UB_23      0.0617721000
_diffrn_orient_matrix_UB_31      -0.0875993000
_diffrn_orient_matrix_UB_32      -0.0668790000
_diffrn_orient_matrix_UB_33      -0.0282741000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7394
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.425
_diffrn_reflns_theta_min         3.250
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    6.281
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85387
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.31d (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.292
_exptl_crystal_description       block
_exptl_crystal_F_000             418
_exptl_crystal_size_max          0.008
_exptl_crystal_size_mid          0.006
_exptl_crystal_size_min          0.003
_refine_diff_density_max         4.426
_refine_diff_density_min         -1.990
_refine_diff_density_rms         0.228
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     183
_refine_ls_number_reflns         2703
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0636P)²+0.6742P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0907
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2602
_reflns_number_total             2703
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4nj05061d2.cif
_cod_data_source_block           gjp-i10
_cod_depositor_comments
'Adding full bibliography for 7063611--7063619.cif.'
_cod_original_cell_volume        633.51(3)
_cod_database_code               7063614
_shelx_shelxl_version_number     2017/1
_chemical_oxdiff_formula         'Ho N H O'
_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.
;
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O7(H7A,H7B), O8(H8A,H8B)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C6(H6)
;
_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 1.193
_oxdiff_exptl_absorpt_empirical_full_min 0.859
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
Ho1 Ho 0.75827(3) 0.08456(2) 0.92085(2) 0.01485(11) Uani 1 1 d . . . . .
O5 O 0.3706(6) 0.0284(4) 0.8850(4) 0.0209(8) Uani 1 1 d . . . . .
O6 O 0.0376(6) -0.0006(4) 0.8786(4) 0.0212(8) Uani 1 1 d . . . . .
O4 O 0.4091(6) 0.1761(4) 0.1520(4) 0.0217(8) Uani 1 1 d . . . . .
O3 O 0.4120(7) 0.0421(4) 0.3098(4) 0.0247(8) Uani 1 1 d . . . . .
O7 O 0.7606(9) 0.2605(5) 1.0751(6) 0.0536(16) Uani 1 1 d . . . . .
H7A H 0.617586 0.255283 1.074048 0.080 Uiso 1 1 d R U . . .
H7B H 0.825882 0.354761 1.060313 0.080 Uiso 1 1 d R U . . .
O1 O 0.7321(8) 0.2489(4) 0.7869(5) 0.0373(11) Uani 1 1 d . . . . .
C9 C 0.1863(8) 0.0379(5) 0.8252(5) 0.0158(10) Uani 1 1 d . . . . .
O8 O 1.1093(7) 0.2723(5) 0.9937(6) 0.0461(13) Uani 1 1 d . . . . .
H8A H 1.180874 0.268146 0.937680 0.069 Uiso 1 1 d R U . . .
H8B H 1.191541 0.266910 1.074959 0.069 Uiso 1 1 d R U . . .
C8 C 0.4615(9) 0.1626(6) 0.2776(6) 0.0200(11) Uani 1 1 d . . . . .
C10 C 0.1387(10) 0.0911(6) 0.6915(6) 0.0243(12) Uani 1 1 d . . . . .
H10A H 0.277364 0.154151 0.685985 0.029 Uiso 1 1 calc R U . . .
H10B H 0.044791 0.146784 0.689003 0.029 Uiso 1 1 calc R U . . .
C4 C 0.5800(9) 0.2932(6) 0.3845(5) 0.0200(11) Uani 1 1 d . . . . .
C11 C 0.0245(11) -0.0289(7) 0.5667(5) 0.0257(13) Uani 1 1 d . . . . .
H11A H 0.119310 -0.083644 0.567635 0.031 Uiso 1 1 calc R U . . .
H11B H -0.113473 -0.092928 0.572260 0.031 Uiso 1 1 calc R U . . .
C3 C 0.6384(10) 0.2770(6) 0.5192(6) 0.0219(12) Uani 1 1 d . . . . .
H3 H 0.599027 0.185881 0.541644 0.026 Uiso 1 1 calc R U . . .
C2 C 0.7557(10) 0.3958(6) 0.6218(6) 0.0227(12) Uani 1 1 d . . . . .
O2 O 0.9745(16) 0.4673(6) 0.8553(6) 0.101(3) Uani 1 1 d . . . . .
C5 C 0.6362(10) 0.4296(7) 0.3512(6) 0.0256(12) Uani 1 1 d . . . . .
H5 H 0.597257 0.441526 0.260670 0.031 Uiso 1 1 calc R U . . .
C1 C 0.8210(13) 0.3706(7) 0.7654(6) 0.0384(17) Uani 1 1 d . . . . .
C7 C 0.8121(11) 0.5325(6) 0.5874(7) 0.0294(14) Uani 1 1 d . . . . .
H7 H 0.891050 0.612588 0.655250 0.035 Uiso 1 1 calc R U . . .
C6 C 0.7510(11) 0.5479(6) 0.4543(7) 0.0299(13) Uani 1 1 d . . . . .
H6 H 0.786727 0.639159 0.431974 0.036 Uiso 1 1 calc R U . . .
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
_geom_angle_publ_flag
O5 Ho1 O5 65.25(14) . 2_657 ?
O5 Ho1 O6 114.71(12) . 2_657 ?
O5 Ho1 O6 145.75(13) . 1_655 ?
O5 Ho1 O4 75.45(13) . 2_656 ?
O5 Ho1 O3 78.39(13) . 2_656 ?
O5 Ho1 C9 24.94(13) 2_657 2_657 ?
O5 Ho1 C9 90.03(13) . 2_657 ?
O5 Ho1 C8 75.06(14) . 2_656 ?
O5 Ho1 C8 96.74(14) 2_657 2_656 ?
O6 Ho1 O5 111.75(12) 1_655 2_657 ?
O6 Ho1 O5 49.90(11) 2_657 2_657 ?
O6 Ho1 O6 67.54(14) 1_655 2_657 ?
O6 Ho1 C9 89.90(13) 1_655 2_657 ?
O6 Ho1 C9 24.97(13) 2_657 2_657 ?
O6 Ho1 C8 71.43(14) 1_655 2_656 ?
O6 Ho1 C8 103.33(15) 2_657 2_656 ?
O4 Ho1 O5 72.13(12) 2_656 2_657 ?
O4 Ho1 O6 71.59(13) 2_656 1_655 ?
O4 Ho1 O6 78.64(13) 2_656 2_657 ?
O4 Ho1 C9 74.41(13) 2_656 2_657 ?
O4 Ho1 C8 27.20(14) 2_656 2_656 ?
O3 Ho1 O5 120.40(13) 2_656 2_657 ?
O3 Ho1 O6 74.75(13) 2_656 1_655 ?
O3 Ho1 O6 126.25(13) 2_656 2_657 ?
O3 Ho1 O4 53.38(13) 2_656 2_656 ?
O3 Ho1 C9 127.79(13) 2_656 2_657 ?
O3 Ho1 C8 26.18(15) 2_656 2_656 ?
O7 Ho1 O5 69.60(16) . 2_657 ?
O7 Ho1 O5 76.92(16) . . ?
O7 Ho1 O6 135.98(17) . 1_655 ?
O7 Ho1 O6 86.75(18) . 2_657 ?
O7 Ho1 O4 139.48(15) . 2_656 ?
O7 Ho1 O3 145.1(2) . 2_656 ?
O7 Ho1 C9 76.56(18) . 2_657 ?
O7 Ho1 O8 70.95(18) . . ?
O7 Ho1 C8 151.92(17) . 2_656 ?
O1 Ho1 O5 143.14(16) . 2_657 ?
O1 Ho1 O5 87.21(16) . . ?
O1 Ho1 O6 151.80(15) . 2_657 ?
O1 Ho1 O6 104.79(16) . 1_655 ?
O1 Ho1 O4 126.13(15) . 2_656 ?
O1 Ho1 O3 73.44(15) . 2_656 ?
O1 Ho1 O7 81.0(2) . . ?
O1 Ho1 C9 157.47(15) . 2_657 ?
O1 Ho1 O8 72.48(18) . . ?
O1 Ho1 C8 99.27(16) . 2_656 ?
O8 Ho1 O5 115.72(17) . 2_657 ?
O8 Ho1 O5 144.06(15) . . ?
O8 Ho1 O6 69.67(15) . 1_655 ?
O8 Ho1 O6 79.54(16) . 2_657 ?
O8 Ho1 O4 140.42(15) . 2_656 ?
O8 Ho1 O3 121.20(18) . 2_656 ?
O8 Ho1 C9 97.64(17) . 2_657 ?
O8 Ho1 C8 136.23(18) . 2_656 ?
C8 Ho1 C9 101.61(15) 2_656 2_657 ?
Ho1 O5 Ho1 114.75(14) . 2_657 ?
C9 O5 Ho1 92.6(3) . 2_657 ?
C9 O5 Ho1 151.8(3) . . ?
Ho1 O6 Ho1 112.46(14) 1_455 2_657 ?
C9 O6 Ho1 138.3(3) . 1_455 ?
C9 O6 Ho1 99.0(3) . 2_657 ?
C8 O4 Ho1 91.5(3) . 2_656 ?
C8 O3 Ho1 94.8(3) . 2_656 ?
Ho1 O7 H7A 114.6 . . ?
Ho1 O7 H7B 113.5 . . ?
H7A O7 H7B 104.0 . . ?
C1 O1 Ho1 147.1(5) . . ?
O5 C9 Ho1 62.4(3) . 2_657 ?
O5 C9 O6 118.4(5) . . ?
O5 C9 C10 121.3(5) . . ?
O6 C9 Ho1 56.1(3) . 2_657 ?
O6 C9 C10 120.3(5) . . ?
C10 C9 Ho1 175.2(4) . 2_657 ?
Ho1 O8 H8A 110.9 . . ?
Ho1 O8 H8B 110.7 . . ?
H8A O8 H8B 108.1 . . ?
O4 C8 Ho1 61.3(3) . 2_656 ?
O4 C8 C4 119.4(5) . . ?
O3 C8 Ho1 59.0(3) . 2_656 ?
O3 C8 O4 120.2(5) . . ?
O3 C8 C4 120.4(5) . . ?
C4 C8 Ho1 179.3(4) . 2_656 ?
C9 C10 H10A 108.8 . . ?
C9 C10 H10B 108.8 . . ?
C9 C10 C11 113.8(5) . . ?
H10A C10 H10B 107.7 . . ?
C11 C10 H10A 108.8 . . ?
C11 C10 H10B 108.8 . . ?
C3 C4 C8 118.7(5) . . ?
C3 C4 C5 119.7(5) . . ?
C5 C4 C8 121.6(5) . . ?
C10 C11 H11A 109.1 . . ?
C10 C11 H11B 109.1 . . ?
C11 C11 C10 112.3(6) 2_556 . ?
C11 C11 H11A 109.1 2_556 . ?
C11 C11 H11B 109.1 2_556 . ?
H11A C11 H11B 107.9 . . ?
C4 C3 H3 119.8 . . ?
C4 C3 C2 120.5(5) . . ?
C2 C3 H3 119.8 . . ?
C3 C2 C1 117.8(5) . . ?
C3 C2 C7 119.5(6) . . ?
C7 C2 C1 122.7(5) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.6(6) . . ?
C6 C5 H5 120.2 . . ?
O1 C1 C2 117.5(6) . . ?
O1 C1 O2 123.1(6) . . ?
O2 C1 C2 119.1(6) . . ?
C2 C7 H7 120.1 . . ?
C6 C7 C2 119.8(6) . . ?
C6 C7 H7 120.1 . . ?
C5 C6 H6 119.5 . . ?
C7 C6 C5 121.1(6) . . ?
C7 C6 H6 119.5 . . ?
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
Ho1 O5 2.405(4) . ?
Ho1 O5 2.629(4) 2_657 ?
Ho1 O6 2.488(4) 2_657 ?
Ho1 O6 2.460(4) 1_655 ?
Ho1 O4 2.458(4) 2_656 ?
Ho1 O3 2.410(4) 2_656 ?
Ho1 O7 2.325(4) . ?
Ho1 O1 2.236(4) . ?
Ho1 C9 2.962(5) 2_657 ?
Ho1 O8 2.371(4) . ?
Ho1 C8 2.802(6) 2_656 ?
O5 C9 1.250(6) . ?
O6 C9 1.266(6) . ?
O4 C8 1.281(7) . ?
O3 C8 1.241(7) . ?
O7 H7A 0.9515 . ?
O7 H7B 0.9488 . ?
O1 C1 1.242(8) . ?
C9 C10 1.506(8) . ?
O8 H8A 0.8780 . ?
O8 H8B 0.8782 . ?
C8 C4 1.493(8) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.539(8) . ?
C4 C3 1.380(8) . ?
C4 C5 1.390(8) . ?
C11 C11 1.526(11) 2_556 ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C3 H3 0.9300 . ?
C3 C2 1.391(8) . ?
C2 C1 1.494(8) . ?
C2 C7 1.397(8) . ?
O2 C1 1.247(9) . ?
C5 H5 0.9300 . ?
C5 C6 1.390(9) . ?
C7 H7 0.9300 . ?
C7 C6 1.362(9) . ?
C6 H6 0.9300 . ?
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
Ho1 O5 C9 Ho1 -166.8(7) . . . 2_657 ?
Ho1 O5 C9 O6 2.3(5) 2_657 . . . ?
Ho1 O5 C9 O6 -164.6(5) . . . . ?
Ho1 O5 C9 C10 -176.5(4) 2_657 . . . ?
Ho1 O5 C9 C10 16.6(10) . . . . ?
Ho1 O6 C9 Ho1 139.3(5) 1_455 . . 2_657 ?
Ho1 O6 C9 O5 136.9(4) 1_455 . . . ?
Ho1 O6 C9 O5 -2.4(5) 2_657 . . . ?
Ho1 O6 C9 C10 176.4(4) 2_657 . . . ?
Ho1 O6 C9 C10 -44.3(7) 1_455 . . . ?
Ho1 O4 C8 O3 -1.2(5) 2_656 . . . ?
Ho1 O4 C8 C4 179.6(4) 2_656 . . . ?
Ho1 O3 C8 O4 1.2(5) 2_656 . . . ?
Ho1 O3 C8 C4 -179.6(4) 2_656 . . . ?
Ho1 O1 C1 C2 153.5(6) . . . . ?
Ho1 O1 C1 O2 -19.9(16) . . . . ?
O5 C9 C10 C11 94.4(6) . . . . ?
O6 C9 C10 C11 -84.3(7) . . . . ?
O4 C8 C4 C3 -179.0(5) . . . . ?
O4 C8 C4 C5 -0.3(8) . . . . ?
O3 C8 C4 C3 1.8(8) . . . . ?
O3 C8 C4 C5 -179.5(5) . . . . ?
C9 C10 C11 C11 179.0(6) . . . 2_556 ?
C8 C4 C3 C2 177.8(5) . . . . ?
C8 C4 C5 C6 -178.5(5) . . . . ?
C4 C3 C2 C1 -177.8(6) . . . . ?
C4 C3 C2 C7 0.7(9) . . . . ?
C4 C5 C6 C7 0.9(10) . . . . ?
C3 C4 C5 C6 0.1(9) . . . . ?
C3 C2 C1 O1 -13.5(10) . . . . ?
C3 C2 C1 O2 160.2(8) . . . . ?
C3 C2 C7 C6 0.3(9) . . . . ?
C2 C7 C6 C5 -1.1(10) . . . . ?
C5 C4 C3 C2 -0.9(9) . . . . ?
C1 C2 C7 C6 178.7(6) . . . . ?
C7 C2 C1 O1 168.1(7) . . . . ?
C7 C2 C1 O2 -18.3(12) . . . . ?
