#------------------------------------------------------------------------------
#$Date: 2022-01-20 10:27:15 +0200 (Thu, 20 Jan 2022) $
#$Revision: 272150 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/60/1566053.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_1566053
loop_
_publ_author_name
'Geng, Shuo'
'Ren, Ning'
'Zhang, Ying-Ying'
'Tang, Kun'
'Zhang, Jian-Jun'
_publ_section_title
;
 Studies on preparation, crystal structure, thermal properties and
 fluorescence properties of rare earth complexes composed of
 2-chloro-4-fluorobenzoic acid and 2,2':6′,2″-terpyridine
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              122633
_journal_paper_doi               10.1016/j.jssc.2021.122633
_journal_volume                  305
_journal_year                    2022
_chemical_formula_sum            'C36 H22 Cl3 F3 Ho N3 O7'
_chemical_formula_weight         936.85
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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                 110.096(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.3568(14)
_cell_length_b                   21.6318(19)
_cell_length_c                   10.8179(9)
_cell_measurement_reflns_used    5425
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.951
_cell_measurement_theta_min      2.215
_cell_volume                     3374.9(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      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0706
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            16874
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    2.655
_exptl_absorpt_correction_T_max  0.6465
_exptl_absorpt_correction_T_min  0.4164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       snowflake
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.190
_refine_diff_density_min         -1.503
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         5943
_refine_ls_number_restraints     210
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0877
_refine_ls_R_factor_gt           0.0517
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0372P)²+22.8633P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1187
_refine_ls_wR_factor_ref         0.1337
_reflns_number_gt                3797
_reflns_number_total             5943
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2022-305-122633.cif
_cod_data_source_block           201129e
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1566053
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ho1 Ho 0.21002(2) 1.000600(19) 0.32706(3) 0.02711(13) Uani 1 1 d . . .
Cl1 Cl 0.1326(3) 1.22328(14) 0.4439(3) 0.0825(11) Uani 1 1 d . . .
Cl2 Cl 0.4191(4) 1.1238(2) -0.0262(5) 0.1233(17) Uani 1 1 d . . .
Cl3 Cl 0.4154(4) 0.8644(2) 0.6171(5) 0.1374(19) Uani 1 1 d U . .
F1 F -0.1258(4) 1.3099(3) 0.0731(7) 0.076(2) Uani 1 1 d U . .
F2 F 0.3672(8) 1.3276(4) 0.1416(10) 0.145(4) Uani 1 1 d U . .
F3 F 0.3972(8) 0.6380(5) 0.5963(13) 0.162(4) Uani 1 1 d U . .
N1 N 0.3378(4) 1.0248(3) 0.5377(7) 0.0307(16) Uani 1 1 d . . .
N2 N 0.1791(4) 0.9696(3) 0.5284(6) 0.0247(15) Uani 1 1 d . . .
N3 N 0.0573(4) 0.9525(3) 0.2889(7) 0.0289(16) Uani 1 1 d . . .
O1 O 0.1066(4) 1.0686(3) 0.1707(6) 0.0382(15) Uani 1 1 d . . .
O2 O 0.1441(4) 1.0932(3) 0.3767(6) 0.0353(14) Uani 1 1 d . . .
O3 O 0.3087(4) 1.0548(3) 0.2606(6) 0.0418(16) Uani 1 1 d . . .
O4 O 0.2980(4) 1.0407(3) 0.0541(7) 0.0460(17) Uani 1 1 d . . .
O5 O 0.2806(4) 0.9078(3) 0.3754(6) 0.0396(15) Uani 1 1 d . . .
O6 O 0.2418(7) 0.8485(3) 0.2021(8) 0.086(3) Uani 1 1 d . . .
O7 O 0.1852(4) 0.9572(3) 0.1162(6) 0.0364(14) Uani 1 1 d . . .
H7B H 0.2029 0.9197 0.1259 0.044 Uiso 1 1 d R . .
H7C H 0.2188 0.9764 0.0805 0.044 Uiso 1 1 d R . .
C1 C 0.1028(6) 1.1054(4) 0.2567(9) 0.031(2) Uani 1 1 d . . .
C2 C 0.0452(6) 1.1617(4) 0.2151(9) 0.0308(19) Uani 1 1 d . . .
C3 C 0.0522(6) 1.2148(4) 0.2902(10) 0.040(2) Uani 1 1 d . . .
C4 C -0.0062(7) 1.2641(4) 0.2412(11) 0.048(3) Uani 1 1 d . . .
H4 H -0.0017 1.2996 0.2917 0.058 Uiso 1 1 calc R . .
C5 C -0.0701(7) 1.2604(4) 0.1189(12) 0.048(3) Uani 1 1 d . . .
C6 C -0.0787(7) 1.2101(4) 0.0438(10) 0.049(3) Uani 1 1 d . . .
H6 H -0.1233 1.2086 -0.0400 0.059 Uiso 1 1 calc R . .
C7 C -0.0210(7) 1.1611(4) 0.0920(10) 0.046(2) Uani 1 1 d . . .
H7 H -0.0268 1.1262 0.0395 0.055 Uiso 1 1 calc R . .
C8 C 0.3121(6) 1.0735(4) 0.1503(10) 0.035(2) Uani 1 1 d . . .
C9 C 0.3331(6) 1.1400(5) 0.1485(9) 0.042(2) Uani 1 1 d . . .
C10 C 0.3764(9) 1.1663(6) 0.0705(11) 0.071(4) Uani 1 1 d . . .
C11 C 0.3935(11) 1.2290(7) 0.0699(15) 0.093(5) Uani 1 1 d U . .
H11 H 0.4271 1.2462 0.0215 0.112 Uiso 1 1 calc R . .
C12 C 0.3579(11) 1.2634(6) 0.1445(15) 0.088(4) Uani 1 1 d U . .
C13 C 0.3142(10) 1.2427(6) 0.2243(15) 0.087(4) Uani 1 1 d . . .
H13 H 0.2935 1.2697 0.2751 0.104 Uiso 1 1 calc R . .
C14 C 0.3014(7) 1.1801(5) 0.2282(12) 0.059(3) Uani 1 1 d . . .
H14 H 0.2719 1.1639 0.2830 0.071 Uiso 1 1 calc R . .
C15 C 0.2773(8) 0.8568(5) 0.3202(12) 0.052(2) Uani 1 1 d U . .
C16 C 0.3164(7) 0.8005(4) 0.4001(11) 0.061(3) Uani 1 1 d DU . .
C17 C 0.3737(9) 0.8000(5) 0.5299(12) 0.082(3) Uani 1 1 d DU . .
C18 C 0.4059(10) 0.7463(6) 0.6037(15) 0.099(4) Uani 1 1 d DU . .
H18 H 0.4460 0.7456 0.6905 0.119 Uiso 1 1 calc R . .
C19 C 0.3698(10) 0.6949(6) 0.5297(15) 0.092(3) Uani 1 1 d DU . .
C20 C 0.3187(10) 0.6877(6) 0.3995(15) 0.104(4) Uani 1 1 d DU . .
H20 H 0.3049 0.6494 0.3585 0.124 Uiso 1 1 calc R . .
C21 C 0.2899(9) 0.7425(5) 0.3353(14) 0.094(3) Uani 1 1 d DU . .
H21 H 0.2520 0.7419 0.2473 0.112 Uiso 1 1 calc R . .
C22 C 0.4184(6) 1.0482(4) 0.5398(10) 0.041(2) Uani 1 1 d . . .
H22 H 0.4223 1.0641 0.4620 0.049 Uiso 1 1 calc R . .
C23 C 0.4959(6) 1.0500(5) 0.6505(10) 0.048(3) Uani 1 1 d . . .
H23 H 0.5508 1.0669 0.6475 0.058 Uiso 1 1 calc R . .
C24 C 0.4915(7) 1.0273(5) 0.7618(11) 0.053(3) Uani 1 1 d . . .
H24 H 0.5439 1.0267 0.8374 0.064 Uiso 1 1 calc R . .
C25 C 0.4086(7) 1.0048(5) 0.7645(10) 0.054(3) Uani 1 1 d . . .
H25 H 0.4042 0.9898 0.8428 0.065 Uiso 1 1 calc R . .
C26 C 0.3319(6) 1.0043(4) 0.6509(9) 0.0343(19) Uani 1 1 d . . .
C27 C 0.2434(6) 0.9785(4) 0.6463(8) 0.032(2) Uani 1 1 d . . .
C28 C 0.2266(7) 0.9642(5) 0.7605(9) 0.043(2) Uani 1 1 d . . .
H28 H 0.2707 0.9727 0.8424 0.051 Uiso 1 1 calc R . .
C29 C 0.1444(7) 0.9375(5) 0.7513(10) 0.050(3) Uani 1 1 d . . .
H29 H 0.1321 0.9267 0.8268 0.060 Uiso 1 1 calc R . .
C30 C 0.0806(7) 0.9269(4) 0.6301(10) 0.043(2) Uani 1 1 d . . .
H30 H 0.0246 0.9081 0.6225 0.052 Uiso 1 1 calc R . .
C31 C 0.0985(6) 0.9439(4) 0.5194(8) 0.0309(19) Uani 1 1 d . . .
C32 C 0.0293(5) 0.9354(4) 0.3866(9) 0.0300(19) Uani 1 1 d . . .
C33 C -0.0557(6) 0.9104(4) 0.3668(10) 0.041(2) Uani 1 1 d . . .
H33 H -0.0734 0.8985 0.4374 0.049 Uiso 1 1 calc R . .
C34 C -0.1155(6) 0.9033(5) 0.2377(11) 0.049(3) Uani 1 1 d . . .
H34 H -0.1744 0.8868 0.2206 0.058 Uiso 1 1 calc R . .
C35 C -0.0877(6) 0.9203(5) 0.1382(10) 0.045(2) Uani 1 1 d . . .
H35 H -0.1265 0.9149 0.0515 0.054 Uiso 1 1 calc R . .
C36 C -0.0025(6) 0.9457(4) 0.1655(9) 0.036(2) Uani 1 1 d . . .
H36 H 0.0153 0.9589 0.0959 0.043 Uiso 1 1 calc 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'
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'
F F 0.0171 0.0103 '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'
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
O3 Ho1 O5 102.6(2) . .
O3 Ho1 O7 78.4(2) . .
O5 Ho1 O7 77.1(2) . .
O3 Ho1 O2 91.1(2) . .
O5 Ho1 O2 154.4(2) . .
O7 Ho1 O2 127.4(2) . .
O3 Ho1 O1 78.9(2) . .
O5 Ho1 O1 149.5(2) . .
O7 Ho1 O1 73.4(2) . .
O2 Ho1 O1 54.0(2) . .
O3 Ho1 N3 152.0(2) . .
O5 Ho1 N3 91.0(2) . .
O7 Ho1 N3 81.0(2) . .
O2 Ho1 N3 86.5(2) . .
O1 Ho1 N3 77.2(2) . .
O3 Ho1 N2 141.8(2) . .
O5 Ho1 N2 77.1(2) . .
O7 Ho1 N2 136.3(2) . .
O2 Ho1 N2 78.8(2) . .
O1 Ho1 N2 120.6(2) . .
N3 Ho1 N2 64.8(2) . .
O3 Ho1 N1 77.0(2) . .
O5 Ho1 N1 79.1(2) . .
O7 Ho1 N1 140.9(2) . .
O2 Ho1 N1 83.1(2) . .
O1 Ho1 N1 129.8(2) . .
N3 Ho1 N1 130.1(2) . .
N2 Ho1 N1 65.3(2) . .
C22 N1 C26 117.8(8) . .
C22 N1 Ho1 122.0(6) . .
C26 N1 Ho1 119.2(5) . .
C31 N2 C27 119.7(7) . .
C31 N2 Ho1 120.3(5) . .
C27 N2 Ho1 120.0(5) . .
C32 N3 C36 117.7(7) . .
C32 N3 Ho1 122.3(5) . .
C36 N3 Ho1 119.9(6) . .
C1 O1 Ho1 93.1(5) . .
C1 O2 Ho1 92.6(5) . .
C8 O3 Ho1 136.1(6) . .
C15 O5 Ho1 137.6(7) . .
Ho1 O7 H7B 108.7 . .
Ho1 O7 H7C 108.7 . .
H7B O7 H7C 107.7 . .
O1 C1 O2 120.1(8) . .
O1 C1 C2 118.5(8) . .
O2 C1 C2 121.4(8) . .
C7 C2 C3 117.3(8) . .
C7 C2 C1 116.9(8) . .
C3 C2 C1 125.7(8) . .
C4 C3 C2 120.4(9) . .
C4 C3 Cl1 116.6(8) . .
C2 C3 Cl1 122.9(7) . .
C5 C4 C3 119.1(9) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
C6 C5 C4 122.1(9) . .
C6 C5 F1 120.2(10) . .
C4 C5 F1 117.7(9) . .
C5 C6 C7 118.9(10) . .
C5 C6 H6 120.5 . .
C7 C6 H6 120.5 . .
C6 C7 C2 122.1(9) . .
C6 C7 H7 119.0 . .
C2 C7 H7 119.0 . .
O4 C8 O3 124.2(9) . .
O4 C8 C9 122.2(9) . .
O3 C8 C9 113.6(9) . .
C10 C9 C14 117.5(10) . .
C10 C9 C8 124.7(10) . .
C14 C9 C8 117.7(9) . .
C9 C10 C11 123.0(13) . .
C9 C10 Cl2 122.1(10) . .
C11 C10 Cl2 114.8(11) . .
C12 C11 C10 115.1(14) . .
C12 C11 H11 122.4 . .
C10 C11 H11 122.4 . .
C13 C12 C11 126.8(14) . .
C13 C12 F2 115.1(16) . .
C11 C12 F2 118.1(15) . .
C12 C13 C14 117.3(15) . .
C12 C13 H13 121.3 . .
C14 C13 H13 121.3 . .
C13 C14 C9 120.1(13) . .
C13 C14 H14 119.9 . .
C9 C14 H14 119.9 . .
O6 C15 O5 124.2(10) . .
O6 C15 C16 115.6(10) . .
O5 C15 C16 120.1(11) . .
C17 C16 C21 118.0(11) . .
C17 C16 C15 125.7(10) . .
C21 C16 C15 116.3(10) . .
C16 C17 C18 124.3(13) . .
C16 C17 Cl3 123.6(9) . .
C18 C17 Cl3 112.1(10) . .
C19 C18 C17 110.3(13) . .
C19 C18 H18 124.8 . .
C17 C18 H18 124.8 . .
C20 C19 C18 131.9(13) . .
C20 C19 F3 113.0(12) . .
C18 C19 F3 114.7(12) . .
C19 C20 C21 113.3(14) . .
C19 C20 H20 123.3 . .
C21 C20 H20 123.3 . .
C20 C21 C16 121.6(13) . .
C20 C21 H21 119.2 . .
C16 C21 H21 119.2 . .
N1 C22 C23 123.4(10) . .
N1 C22 H22 118.3 . .
C23 C22 H22 118.3 . .
C24 C23 C22 119.0(10) . .
C24 C23 H23 120.5 . .
C22 C23 H23 120.5 . .
C23 C24 C25 119.3(10) . .
C23 C24 H24 120.4 . .
C25 C24 H24 120.4 . .
C24 C25 C26 119.9(10) . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
N1 C26 C25 120.5(8) . .
N1 C26 C27 117.0(8) . .
C25 C26 C27 122.4(9) . .
N2 C27 C28 121.3(8) . .
N2 C27 C26 117.7(8) . .
C28 C27 C26 121.0(8) . .
C29 C28 C27 118.9(9) . .
C29 C28 H28 120.5 . .
C27 C28 H28 120.5 . .
C30 C29 C28 119.0(9) . .
C30 C29 H29 120.5 . .
C28 C29 H29 120.5 . .
C29 C30 C31 120.3(9) . .
C29 C30 H30 119.9 . .
C31 C30 H30 119.9 . .
N2 C31 C30 120.7(8) . .
N2 C31 C32 117.6(7) . .
C30 C31 C32 121.7(8) . .
N3 C32 C33 122.9(8) . .
N3 C32 C31 114.9(7) . .
C33 C32 C31 122.2(8) . .
C32 C33 C34 117.9(9) . .
C32 C33 H33 121.0 . .
C34 C33 H33 121.0 . .
C35 C34 C33 119.6(9) . .
C35 C34 H34 120.2 . .
C33 C34 H34 120.2 . .
C34 C35 C36 119.2(9) . .
C34 C35 H35 120.4 . .
C36 C35 H35 120.4 . .
N3 C36 C35 122.7(9) . .
N3 C36 H36 118.7 . .
C35 C36 H36 118.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 O3 2.222(6) .
Ho1 O5 2.256(6) .
Ho1 O7 2.373(6) .
Ho1 O2 2.387(6) .
Ho1 O1 2.388(6) .
Ho1 N3 2.467(6) .
Ho1 N2 2.476(6) .
Ho1 N1 2.498(7) .
Cl1 C3 1.707(10) .
Cl2 C10 1.685(14) .
Cl3 C17 1.681(14) .
F1 C5 1.356(10) .
F2 C12 1.398(15) .
F3 C19 1.416(15) .
N1 C22 1.330(11) .
N1 C26 1.335(11) .
N2 C31 1.331(10) .
N2 C27 1.332(10) .
N3 C32 1.323(10) .
N3 C36 1.344(10) .
O1 C1 1.241(10) .
O2 C1 1.261(10) .
O3 C8 1.277(11) .
O4 C8 1.216(11) .
O5 C15 1.247(12) .
O6 C15 1.217(13) .
O7 H7B 0.8506 .
O7 H7C 0.8511 .
C1 C2 1.483(11) .
C2 C7 1.370(12) .
C2 C3 1.388(12) .
C3 C4 1.377(13) .
C4 C5 1.352(14) .
C4 H4 0.9300 .
C5 C6 1.335(14) .
C6 C7 1.365(13) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.476(13) .
C9 C10 1.366(14) .
C9 C14 1.421(15) .
C10 C11 1.381(17) .
C11 C12 1.34(2) .
C11 H11 0.9300 .
C12 C13 1.34(2) .
C13 C14 1.371(15) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.495(13) .
C16 C17 1.378(9) .
C16 C21 1.425(9) .
C17 C18 1.399(9) .
C18 C19 1.372(9) .
C18 H18 0.9300 .
C19 C20 1.365(9) .
C20 C21 1.368(9) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 C23 1.368(13) .
C22 H22 0.9300 .
C23 C24 1.324(15) .
C23 H23 0.9300 .
C24 C25 1.372(14) .
C24 H24 0.9300 .
C25 C26 1.380(12) .
C25 H25 0.9300 .
C26 C27 1.453(12) .
C27 C28 1.381(12) .
C28 C29 1.360(13) .
C28 H28 0.9300 .
C29 C30 1.360(13) .
C29 H29 0.9300 .
C30 C31 1.367(12) .
C30 H30 0.9300 .
C31 C32 1.475(12) .
C32 C33 1.361(11) .
C33 C34 1.392(13) .
C33 H33 0.9300 .
C34 C35 1.338(14) .
C34 H34 0.9300 .
C35 C36 1.355(12) .
C35 H35 0.9300 .
C36 H36 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
O3 Ho1 N1 C22 -11.3(6) . . . .
O5 Ho1 N1 C22 94.4(7) . . . .
O7 Ho1 N1 C22 41.2(8) . . . .
O2 Ho1 N1 C22 -104.0(7) . . . .
O1 Ho1 N1 C22 -74.6(7) . . . .
N3 Ho1 N1 C22 176.4(6) . . . .
N2 Ho1 N1 C22 175.2(7) . . . .
O3 Ho1 N1 C26 -179.7(6) . . . .
O5 Ho1 N1 C26 -74.0(6) . . . .
O7 Ho1 N1 C26 -127.3(6) . . . .
O2 Ho1 N1 C26 87.5(6) . . . .
O1 Ho1 N1 C26 117.0(6) . . . .
N3 Ho1 N1 C26 8.0(7) . . . .
N2 Ho1 N1 C26 6.8(6) . . . .
O3 Ho1 N2 C31 167.9(5) . . . .
O5 Ho1 N2 C31 -98.0(6) . . . .
O7 Ho1 N2 C31 -42.8(7) . . . .
O2 Ho1 N2 C31 90.7(6) . . . .
O1 Ho1 N2 C31 55.1(6) . . . .
N3 Ho1 N2 C31 -0.8(6) . . . .
N1 Ho1 N2 C31 178.2(6) . . . .
O3 Ho1 N2 C27 -12.3(8) . . . .
O5 Ho1 N2 C27 81.8(6) . . . .
O7 Ho1 N2 C27 137.0(6) . . . .
O2 Ho1 N2 C27 -89.5(6) . . . .
O1 Ho1 N2 C27 -125.1(6) . . . .
N3 Ho1 N2 C27 179.0(7) . . . .
N1 Ho1 N2 C27 -2.0(6) . . . .
O3 Ho1 N3 C32 -162.7(6) . . . .
O5 Ho1 N3 C32 77.6(6) . . . .
O7 Ho1 N3 C32 154.4(6) . . . .
O2 Ho1 N3 C32 -76.9(6) . . . .
O1 Ho1 N3 C32 -130.7(6) . . . .
N2 Ho1 N3 C32 2.3(6) . . . .
N1 Ho1 N3 C32 1.1(7) . . . .
O3 Ho1 N3 C36 14.0(9) . . . .
O5 Ho1 N3 C36 -105.7(6) . . . .
O7 Ho1 N3 C36 -28.9(6) . . . .
O2 Ho1 N3 C36 99.8(6) . . . .
O1 Ho1 N3 C36 46.0(6) . . . .
N2 Ho1 N3 C36 179.0(7) . . . .
N1 Ho1 N3 C36 177.8(6) . . . .
O3 Ho1 O1 C1 -97.6(5) . . . .
O5 Ho1 O1 C1 166.5(5) . . . .
O7 Ho1 O1 C1 -178.7(5) . . . .
O2 Ho1 O1 C1 2.0(5) . . . .
N3 Ho1 O1 C1 97.1(5) . . . .
N2 Ho1 O1 C1 46.9(6) . . . .
N1 Ho1 O1 C1 -35.1(6) . . . .
O3 Ho1 O2 C1 73.4(5) . . . .
O5 Ho1 O2 C1 -163.7(5) . . . .
O7 Ho1 O2 C1 -2.9(6) . . . .
O1 Ho1 O2 C1 -2.0(5) . . . .
N3 Ho1 O2 C1 -78.7(5) . . . .
N2 Ho1 O2 C1 -143.7(5) . . . .
N1 Ho1 O2 C1 150.2(5) . . . .
O5 Ho1 O3 C8 104.7(9) . . . .
O7 Ho1 O3 C8 30.9(8) . . . .
O2 Ho1 O3 C8 -97.2(9) . . . .
O1 Ho1 O3 C8 -44.2(9) . . . .
N3 Ho1 O3 C8 -12.5(12) . . . .
N2 Ho1 O3 C8 -170.3(8) . . . .
N1 Ho1 O3 C8 -179.8(9) . . . .
O3 Ho1 O5 C15 -96.2(9) . . . .
O7 Ho1 O5 C15 -21.4(9) . . . .
O2 Ho1 O5 C15 143.1(9) . . . .
O1 Ho1 O5 C15 -6.9(11) . . . .
N3 Ho1 O5 C15 59.1(9) . . . .
N2 Ho1 O5 C15 123.0(9) . . . .
N1 Ho1 O5 C15 -170.1(10) . . . .
Ho1 O1 C1 O2 -3.6(8) . . . .
Ho1 O1 C1 C2 179.3(6) . . . .
Ho1 O2 C1 O1 3.6(8) . . . .
Ho1 O2 C1 C2 -179.4(7) . . . .
O1 C1 C2 C7 19.0(12) . . . .
O2 C1 C2 C7 -158.0(8) . . . .
O1 C1 C2 C3 -161.3(8) . . . .
O2 C1 C2 C3 21.7(13) . . . .
C7 C2 C3 C4 0.4(14) . . . .
C1 C2 C3 C4 -179.3(9) . . . .
C7 C2 C3 Cl1 -178.5(7) . . . .
C1 C2 C3 Cl1 1.8(13) . . . .
C2 C3 C4 C5 -0.3(15) . . . .
Cl1 C3 C4 C5 178.7(8) . . . .
C3 C4 C5 C6 0.2(16) . . . .
C3 C4 C5 F1 -179.3(9) . . . .
C4 C5 C6 C7 -0.2(16) . . . .
F1 C5 C6 C7 179.3(9) . . . .
C5 C6 C7 C2 0.3(16) . . . .
C3 C2 C7 C6 -0.5(14) . . . .
C1 C2 C7 C6 179.3(9) . . . .
Ho1 O3 C8 O4 -49.1(13) . . . .
Ho1 O3 C8 C9 129.8(8) . . . .
O4 C8 C9 C10 -29.0(15) . . . .
O3 C8 C9 C10 152.1(10) . . . .
O4 C8 C9 C14 147.3(9) . . . .
O3 C8 C9 C14 -31.6(12) . . . .
C14 C9 C10 C11 2.6(17) . . . .
C8 C9 C10 C11 178.8(11) . . . .
C14 C9 C10 Cl2 178.7(8) . . . .
C8 C9 C10 Cl2 -5.0(16) . . . .
C9 C10 C11 C12 -5(2) . . . .
Cl2 C10 C11 C12 178.6(11) . . . .
C10 C11 C12 C13 5(2) . . . .
C10 C11 C12 F2 -175.8(12) . . . .
C11 C12 C13 C14 -2(2) . . . .
F2 C12 C13 C14 178.5(11) . . . .
C12 C13 C14 C9 -0.6(18) . . . .
C10 C9 C14 C13 0.4(15) . . . .
C8 C9 C14 C13 -176.1(10) . . . .
Ho1 O5 C15 O6 16.6(18) . . . .
Ho1 O5 C15 C16 -161.9(7) . . . .
O6 C15 C16 C17 167.6(12) . . . .
O5 C15 C16 C17 -13.8(17) . . . .
O6 C15 C16 C21 -13.7(16) . . . .
O5 C15 C16 C21 164.9(10) . . . .
C21 C16 C17 C18 -1.6(19) . . . .
C15 C16 C17 C18 177.0(12) . . . .
C21 C16 C17 Cl3 176.7(10) . . . .
C15 C16 C17 Cl3 -4.6(18) . . . .
C16 C17 C18 C19 -2(2) . . . .
Cl3 C17 C18 C19 179.5(11) . . . .
C17 C18 C19 C20 8(2) . . . .
C17 C18 C19 F3 -179.2(11) . . . .
C18 C19 C20 C21 -8(3) . . . .
F3 C19 C20 C21 178.4(12) . . . .
C19 C20 C21 C16 3(2) . . . .
C17 C16 C21 C20 1.0(19) . . . .
C15 C16 C21 C20 -177.8(12) . . . .
C26 N1 C22 C23 2.7(13) . . . .
Ho1 N1 C22 C23 -165.9(7) . . . .
N1 C22 C23 C24 0.1(15) . . . .
C22 C23 C24 C25 -2.4(16) . . . .
C23 C24 C25 C26 1.8(16) . . . .
C22 N1 C26 C25 -3.1(13) . . . .
Ho1 N1 C26 C25 165.7(7) . . . .
C22 N1 C26 C27 -179.6(8) . . . .
Ho1 N1 C26 C27 -10.7(10) . . . .
C24 C25 C26 N1 1.0(15) . . . .
C24 C25 C26 C27 177.3(9) . . . .
C31 N2 C27 C28 -3.1(12) . . . .
Ho1 N2 C27 C28 177.1(6) . . . .
C31 N2 C27 C26 177.3(7) . . . .
Ho1 N2 C27 C26 -2.5(10) . . . .
N1 C26 C27 N2 8.7(12) . . . .
C25 C26 C27 N2 -167.7(9) . . . .
N1 C26 C27 C28 -170.8(8) . . . .
C25 C26 C27 C28 12.8(14) . . . .
N2 C27 C28 C29 3.5(14) . . . .
C26 C27 C28 C29 -176.9(9) . . . .
C27 C28 C29 C30 -1.4(15) . . . .
C28 C29 C30 C31 -1.0(15) . . . .
C27 N2 C31 C30 0.6(12) . . . .
Ho1 N2 C31 C30 -179.6(6) . . . .
C27 N2 C31 C32 179.6(7) . . . .
Ho1 N2 C31 C32 -0.6(10) . . . .
C29 C30 C31 N2 1.5(14) . . . .
C29 C30 C31 C32 -177.4(9) . . . .
C36 N3 C32 C33 1.4(12) . . . .
Ho1 N3 C32 C33 178.1(6) . . . .
C36 N3 C32 C31 179.8(7) . . . .
Ho1 N3 C32 C31 -3.5(10) . . . .
N2 C31 C32 N3 2.6(11) . . . .
C30 C31 C32 N3 -178.4(8) . . . .
N2 C31 C32 C33 -178.9(8) . . . .
C30 C31 C32 C33 0.0(13) . . . .
N3 C32 C33 C34 -0.6(14) . . . .
C31 C32 C33 C34 -178.8(8) . . . .
C32 C33 C34 C35 0.7(14) . . . .
C33 C34 C35 C36 -1.6(15) . . . .
C32 N3 C36 C35 -2.3(13) . . . .
Ho1 N3 C36 C35 -179.2(7) . . . .
C34 C35 C36 N3 2.5(15) . . . .
