#------------------------------------------------------------------------------
#$Date: 2016-08-07 12:08:09 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185445 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/79/7037992.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_7037992
loop_
_publ_author_name
'Bengiat, R.'
'Gil, M.'
'Klein, A.'
'Bogoslavsky, B.'
'Cohen, S.'
'Dubnikova, F.'
'Yardeni, G.'
'Zilbermann, I.'
'Almog, J.'
_publ_section_title
;
 Selective recognition of fluoride salts by vasarenes: a key role of a
 self-assembled in situ dimeric entity via an exceptionally short
 [O-H-O](-) H-bond.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8734
_journal_page_last               8739
_journal_paper_doi               10.1039/c5dt04171f
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C24 H14 Cs F O8, C2 H6 O'
_chemical_formula_sum            'C26 H20 Cs F O9'
_chemical_formula_weight         628.33
_chemical_name_common            'Cesium Fluoride complex of Vasarene [4]'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-01-14 deposited with the CCDC.
2016-01-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.2617(9)
_cell_length_b                   15.379(1)
_cell_length_c                   25.646(2)
_cell_measurement_reflns_used    9892
_cell_measurement_temperature    173(1)
_cell_measurement_theta_max      27.98
_cell_measurement_theta_min      2.72
_cell_volume                     4836.1(6)
_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      173(1)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0230
_diffrn_reflns_av_unetI/netI     0.0120
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            52953
_diffrn_reflns_theta_full        28.02
_diffrn_reflns_theta_max         28.02
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    1.594
_exptl_absorpt_correction_T_max  0.7206
_exptl_absorpt_correction_T_min  0.5901
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS V2.05'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       shapeless
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         5816
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0254
_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)+(0.0310P)²+5.0655P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0635
_refine_ls_wR_factor_ref         0.0644
_reflns_number_gt                5508
_reflns_number_total             5816
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04171f1.cif
_cod_data_source_block           maayan23
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7037990--7037995.cif.
;
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7037992
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.37568(14) 0.48902(11) 0.34766(7) 0.0170(3) Uani 1 1 d . . .
C2 C 0.26298(14) 0.48167(11) 0.34869(7) 0.0179(3) Uani 1 1 d . . .
H2 H 0.2260 0.4275 0.3466 0.022 Uiso 1 1 calc R . .
C3 C 0.20918(14) 0.56078(11) 0.35312(7) 0.0160(3) Uani 1 1 d . . .
C4 C 0.26272(14) 0.64047(11) 0.35813(7) 0.0152(3) Uani 1 1 d . . .
C5 C 0.37570(14) 0.64548(11) 0.35530(6) 0.0157(3) Uani 1 1 d . . .
H5 H 0.4128 0.6996 0.3576 0.019 Uiso 1 1 calc R . .
C6 C 0.43185(13) 0.56784(11) 0.34892(7) 0.0154(3) Uani 1 1 d . . .
C7 C 0.55725(14) 0.44938(11) 0.34953(7) 0.0178(3) Uani 1 1 d . . .
C8 C 0.59450(14) 0.43948(11) 0.40528(7) 0.0202(3) Uani 1 1 d . . .
C9 C 0.59915(17) 0.36359(13) 0.43469(9) 0.0298(4) Uani 1 1 d . . .
H9 H 0.5790 0.3091 0.4201 0.036 Uiso 1 1 calc R . .
C10 C 0.63408(19) 0.37012(15) 0.48587(10) 0.0369(5) Uani 1 1 d . . .
H10 H 0.6374 0.3191 0.5067 0.044 Uiso 1 1 calc R . .
C11 C 0.66444(19) 0.44917(16) 0.50759(9) 0.0363(5) Uani 1 1 d . . .
H11 H 0.6870 0.4515 0.5430 0.044 Uiso 1 1 calc R . .
C12 C 0.66220(17) 0.52500(14) 0.47816(8) 0.0279(4) Uani 1 1 d . . .
H12 H 0.6841 0.5792 0.4926 0.033 Uiso 1 1 calc R . .
C13 C 0.62666(14) 0.51858(12) 0.42676(7) 0.0203(3) Uani 1 1 d . . .
C14 C 0.61762(14) 0.58755(11) 0.38698(7) 0.0173(3) Uani 1 1 d . . .
C15 C 0.55204(13) 0.55051(11) 0.34124(7) 0.0157(3) Uani 1 1 d . . .
C16 C 0.07077(14) 0.65592(11) 0.36964(7) 0.0173(3) Uani 1 1 d . . .
C17 C 0.04406(15) 0.65471(11) 0.42717(7) 0.0202(3) Uani 1 1 d . . .
C18 C -0.03776(17) 0.60730(14) 0.45172(9) 0.0291(4) Uani 1 1 d . . .
H18 H -0.0842 0.5696 0.4325 0.035 Uiso 1 1 calc R . .
C19 C -0.0490(2) 0.61695(15) 0.50518(9) 0.0368(5) Uani 1 1 d . . .
H19 H -0.1043 0.5854 0.5230 0.044 Uiso 1 1 calc R . .
C20 C 0.0193(2) 0.67215(15) 0.53325(8) 0.0376(5) Uani 1 1 d . . .
H20 H 0.0090 0.6781 0.5698 0.045 Uiso 1 1 calc R . .
C21 C 0.1017(2) 0.71850(14) 0.50919(8) 0.0304(4) Uani 1 1 d . . .
H21 H 0.1489 0.7554 0.5285 0.037 Uiso 1 1 calc R . .
C22 C 0.11282(16) 0.70892(12) 0.45523(7) 0.0217(4) Uani 1 1 d . . .
C23 C 0.19029(15) 0.75269(12) 0.42015(7) 0.0194(3) Uani 1 1 d . . .
C24 C 0.17893(14) 0.71044(11) 0.36577(7) 0.0157(3) Uani 1 1 d . . .
Cs1 Cs 0.268898(9) 0.723940(8) 0.216390(5) 0.02347(5) Uani 1 1 d . . .
F1 F 0.50924(10) 0.71222(8) 0.25549(4) 0.0284(3) Uani 1 1 d . . .
O1 O 0.44340(10) 0.41835(8) 0.34427(5) 0.0195(3) Uani 1 1 d . . .
O2 O 0.62058(11) 0.40335(8) 0.31570(5) 0.0230(3) Uani 1 1 d . . .
H2O H 0.5957 0.4126 0.2834 0.034 Uiso 1 1 d R A .
O3 O 0.65592(12) 0.66030(8) 0.38809(5) 0.0241(3) Uani 1 1 d . . .
O4 O 0.59313(11) 0.57490(8) 0.29247(5) 0.0194(3) Uani 1 1 d . . .
H4O H 0.5548 0.6185 0.2813 0.029 Uiso 1 1 d R . .
O5 O 0.09843(10) 0.56708(8) 0.35369(5) 0.0195(3) Uani 1 1 d . . .
O6 O -0.01465(10) 0.68583(9) 0.34072(5) 0.0216(3) Uani 1 1 d . . .
H6O H 0.0072 0.6946 0.3083 0.032 Uiso 1 1 d R . .
O7 O 0.25207(13) 0.81185(10) 0.43021(6) 0.0288(3) Uani 1 1 d . . .
O8 O 0.18233(11) 0.77088(7) 0.32460(5) 0.0187(3) Uani 1 1 d . . .
H8O H 0.1335 0.8107 0.3286 0.028 Uiso 1 1 d R . .
O9 O 0.53623(16) 0.37349(12) 0.22142(7) 0.0436(4) Uani 1 1 d . . .
H9O H 0.5179 0.3189 0.2293 0.065 Uiso 1 1 d R A .
C25 C 0.4376(4) 0.4286(3) 0.21226(17) 0.0320(12) Uani 0.561(8) 1 d P A 1
H25A H 0.4553 0.4904 0.2188 0.038 Uiso 0.561(8) 1 calc PR A 1
H25B H 0.3785 0.4112 0.2364 0.038 Uiso 0.561(8) 1 calc PR A 1
C26 C 0.4009(4) 0.4170(3) 0.15687(17) 0.0425(14) Uani 0.561(8) 1 d P A 1
H26A H 0.4581 0.4376 0.1332 0.064 Uiso 0.561(8) 1 calc PR A 1
H26B H 0.3341 0.4506 0.1510 0.064 Uiso 0.561(8) 1 calc PR A 1
H26C H 0.3866 0.3553 0.1502 0.064 Uiso 0.561(8) 1 calc PR A 1
C25A C 0.4628(5) 0.3975(4) 0.1807(2) 0.0362(17) Uani 0.439(8) 1 d P A 2
H25C H 0.4209 0.3463 0.1685 0.043 Uiso 0.439(8) 1 calc PR A 2
H25D H 0.5030 0.4225 0.1508 0.043 Uiso 0.439(8) 1 calc PR A 2
C26A C 0.3880(6) 0.4639(6) 0.2043(3) 0.054(2) Uani 0.439(8) 1 d P A 2
H26D H 0.3412 0.4359 0.2304 0.080 Uiso 0.439(8) 1 calc PR A 2
H26E H 0.3426 0.4897 0.1770 0.080 Uiso 0.439(8) 1 calc PR A 2
H26F H 0.4314 0.5095 0.2211 0.080 Uiso 0.439(8) 1 calc PR A 2
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'
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'
Cs Cs -0.3680 2.1192 '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 122.70(15) . .
O1 C1 C6 113.06(14) . .
C2 C1 C6 124.23(16) . .
C1 C2 C3 113.79(16) . .
C1 C2 H2 123.1 . .
C3 C2 H2 123.1 . .
O5 C3 C2 122.49(15) . .
O5 C3 C4 113.91(15) . .
C2 C3 C4 123.59(15) . .
C5 C4 C3 120.84(15) . .
C5 C4 C24 130.52(16) . .
C3 C4 C24 108.64(14) . .
C6 C5 C4 116.94(15) . .
C6 C5 H5 121.5 . .
C4 C5 H5 121.5 . .
C5 C6 C1 120.37(15) . .
C5 C6 C15 130.63(15) . .
C1 C6 C15 108.99(14) . .
O2 C7 O1 108.15(14) . .
O2 C7 C8 112.24(14) . .
O1 C7 C8 109.82(14) . .
O2 C7 C15 116.82(15) . .
O1 C7 C15 105.56(13) . .
C8 C7 C15 103.92(14) . .
C9 C8 C13 120.46(18) . .
C9 C8 C7 127.67(17) . .
C13 C8 C7 111.87(15) . .
C10 C9 C8 117.8(2) . .
C10 C9 H9 121.1 . .
C8 C9 H9 121.1 . .
C9 C10 C11 121.81(19) . .
C9 C10 H10 119.1 . .
C11 C10 H10 119.1 . .
C10 C11 C12 120.8(2) . .
C10 C11 H11 119.6 . .
C12 C11 H11 119.6 . .
C11 C12 C13 117.5(2) . .
C11 C12 H12 121.3 . .
C13 C12 H12 121.3 . .
C12 C13 C8 121.70(17) . .
C12 C13 C14 128.84(17) . .
C8 C13 C14 109.46(16) . .
O3 C14 C13 128.12(17) . .
O3 C14 C15 124.32(16) . .
C13 C14 C15 107.54(14) . .
O3 C14 Cs1 47.82(9) . 6_656
C13 C14 Cs1 146.11(11) . 6_656
C15 C14 Cs1 85.89(9) . 6_656
O4 C15 C6 114.87(14) . .
O4 C15 C14 113.30(14) . .
C6 C15 C14 110.28(14) . .
O4 C15 C7 111.82(14) . .
C6 C15 C7 101.35(13) . .
C14 C15 C7 104.07(14) . .
O6 C16 O5 109.90(14) . .
O6 C16 C17 111.64(14) . .
O5 C16 C17 108.12(14) . .
O6 C16 C24 115.70(14) . .
O5 C16 C24 106.51(13) . .
C17 C16 C24 104.54(14) . .
C22 C17 C18 121.26(18) . .
C22 C17 C16 111.55(16) . .
C18 C17 C16 127.20(18) . .
C19 C18 C17 117.6(2) . .
C19 C18 H18 121.2 . .
C17 C18 H18 121.2 . .
C18 C19 C20 121.1(2) . .
C18 C19 H19 119.5 . .
C20 C19 H19 119.5 . .
C21 C20 C19 121.5(2) . .
C21 C20 H20 119.2 . .
C19 C20 H20 119.2 . .
C20 C21 C22 117.3(2) . .
C20 C21 H21 121.3 . .
C22 C21 H21 121.3 . .
C17 C22 C21 121.16(19) . .
C17 C22 C23 110.50(16) . .
C21 C22 C23 128.31(19) . .
O7 C23 C22 128.10(17) . .
O7 C23 C24 124.36(17) . .
C22 C23 C24 107.54(15) . .
O8 C24 C4 110.82(14) . .
O8 C24 C23 113.39(14) . .
C4 C24 C23 110.96(14) . .
O8 C24 C16 115.13(14) . .
C4 C24 C16 101.73(13) . .
C23 C24 C16 104.08(14) . .
O8 Cs1 O6 140.69(4) . 6_656
O8 Cs1 F1 92.86(3) . .
O6 Cs1 F1 47.86(3) 6_656 .
O8 Cs1 O4 89.99(3) . 6_556
O6 Cs1 O4 114.53(3) 6_656 6_556
F1 Cs1 O4 128.82(3) . 6_556
O8 Cs1 O3 133.48(4) . 6_556
O6 Cs1 O3 85.19(4) 6_656 6_556
F1 Cs1 O3 131.81(3) . 6_556
O4 Cs1 O3 54.30(3) 6_556 6_556
O8 Cs1 O2 100.24(3) . 3_655
O6 Cs1 O2 71.09(3) 6_656 3_655
F1 Cs1 O2 74.38(3) . 3_655
O4 Cs1 O2 154.47(3) 6_556 3_655
O3 Cs1 O2 103.60(3) 6_556 3_655
O8 Cs1 F1 58.31(3) . 6_556
O6 Cs1 F1 158.64(3) 6_656 6_556
F1 Cs1 F1 147.805(10) . 6_556
O4 Cs1 F1 46.41(3) 6_556 6_556
O3 Cs1 F1 75.17(3) 6_556 6_556
O2 Cs1 F1 121.30(3) 3_655 6_556
O8 Cs1 O9 71.61(4) . 3_655
O6 Cs1 O9 76.47(4) 6_656 3_655
F1 Cs1 O9 44.20(4) . 3_655
O4 Cs1 O9 158.27(4) 6_556 3_655
O3 Cs1 O9 147.43(4) 6_556 3_655
O2 Cs1 O9 45.06(4) 3_655 3_655
F1 Cs1 O9 124.83(4) 6_556 3_655
O8 Cs1 C14 125.83(4) . 6_556
O6 Cs1 C14 89.09(4) 6_656 6_556
F1 Cs1 C14 130.11(3) . 6_556
O4 Cs1 C14 39.33(3) 6_556 6_556
O3 Cs1 C14 16.48(3) 6_556 6_556
O2 Cs1 C14 119.92(4) 3_655 6_556
F1 Cs1 C14 69.71(3) 6_556 6_556
O9 Cs1 C14 161.86(4) 3_655 6_556
H4O F1 Cs1 119.3 . .
H4O F1 Cs1 68.7 . 6_656
Cs1 F1 Cs1 171.16(4) . 6_656
C1 O1 C7 108.04(12) . .
C7 O2 Cs1 149.06(11) . 3_645
C7 O2 H2O 108.2 . .
Cs1 O2 H2O 92.6 3_645 .
C14 O3 Cs1 115.71(11) . 6_656
C15 O4 Cs1 120.34(10) . 6_656
C15 O4 H4O 107.9 . .
Cs1 O4 H4O 77.6 6_656 .
C3 O5 C16 107.47(13) . .
C16 O6 Cs1 169.27(11) . 6_556
C16 O6 H6O 109.3 . .
Cs1 O6 H6O 77.6 6_556 .
C24 O8 Cs1 122.36(9) . .
C24 O8 H8O 111.1 . .
Cs1 O8 H8O 121.0 . .
C25A O9 H2O 142.5 . .
C25 O9 H2O 105.6 . .
C25A O9 Cs1 152.7(3) . 3_645
C25 O9 Cs1 161.32(19) . 3_645
H2O O9 Cs1 64.8 . 3_645
C25A O9 H9O 104.5 . .
C25 O9 H9O 111.4 . .
H2O O9 H9O 102.1 . .
Cs1 O9 H9O 58.5 3_645 .
O9 C25 C26 108.9(4) . .
O9 C25 H25A 109.9 . .
C26 C25 H25A 109.9 . .
O9 C25 H25B 109.9 . .
C26 C25 H25B 109.9 . .
H25A C25 H25B 108.3 . .
O9 C25A C26A 105.4(5) . .
O9 C25A H25C 110.7 . .
C26A C25A H25C 110.7 . .
O9 C25A H25D 110.7 . .
C26A C25A H25D 110.7 . .
H25C C25A H25D 108.8 . .
C25A C26A H26D 109.5 . .
C25A C26A H26E 109.5 . .
H26D C26A H26E 109.5 . .
C25A C26A H26F 109.5 . .
H26D C26A H26F 109.5 . .
H26E C26A H26F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.371(2) .
C1 C2 1.387(2) .
C1 C6 1.394(2) .
C2 C3 1.389(2) .
C2 H2 0.9500 .
C3 O5 1.362(2) .
C3 C4 1.396(2) .
C4 C5 1.389(2) .
C4 C24 1.501(2) .
C5 C6 1.388(2) .
C5 H5 0.9500 .
C6 C15 1.511(2) .
C7 O2 1.363(2) .
C7 O1 1.482(2) .
C7 C8 1.509(3) .
C7 C15 1.571(2) .
C8 C9 1.391(3) .
C8 C13 1.392(3) .
C9 C10 1.384(3) .
C9 H9 0.9500 .
C10 C11 1.388(3) .
C10 H10 0.9500 .
C11 C12 1.389(3) .
C11 H11 0.9500 .
C12 C13 1.392(3) .
C12 H12 0.9500 .
C13 C14 1.476(2) .
C14 O3 1.214(2) .
C14 C15 1.532(2) .
C15 O4 1.400(2) .
C16 O6 1.363(2) .
C16 O5 1.466(2) .
C16 C17 1.511(2) .
C16 C24 1.572(2) .
C17 C22 1.387(3) .
C17 C18 1.391(3) .
C18 C19 1.386(3) .
C18 H18 0.9500 .
C19 C20 1.393(4) .
C19 H19 0.9500 .
C20 C21 1.382(3) .
C20 H20 0.9500 .
C21 C22 1.398(3) .
C21 H21 0.9500 .
C22 C23 1.471(3) .
C23 O7 1.212(2) .
C23 C24 1.545(2) .
C24 O8 1.407(2) .
Cs1 O8 3.0575(13) .
Cs1 O6 3.0875(12) 6_656
Cs1 F1 3.1181(13) .
Cs1 O4 3.1544(13) 6_556
Cs1 O3 3.1711(14) 6_556
Cs1 O2 3.1823(12) 3_655
Cs1 F1 3.2695(13) 6_556
F1 H4O 1.6812 .
F1 Cs1 3.2695(13) 6_656
O2 Cs1 3.1823(12) 3_645
O2 H2O 0.8935 .
O4 H4O 0.8680 .
O6 H6O 0.8848 .
O8 H8O 0.8625 .
O9 C25A 1.427(6) .
O9 C25 1.495(6) .
O9 H9O 0.8925 .
C25 C26 1.501(6) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C25A C26A 1.501(11) .
C25A H25C 0.9900 .
C25A H25D 0.9900 .
C26A H26D 0.9800 .
C26A H26E 0.9800 .
C26A H26F 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O9 H9O F1 0.89 1.72 2.610(2) 176.6 3_645
O8 H8O O1 0.86 1.95 2.7884(17) 164.7 8_665
O6 H6O F1 0.88 1.66 2.5174(18) 163.3 6_556
O4 H4O F1 0.87 1.68 2.5334(17) 166.5 .
O2 H2O O9 0.89 1.85 2.670(2) 151.5 .
