#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:58:52 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180366 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/35/7203558.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_7203558
loop_
_publ_author_name
'Jones, Leigh F.'
'Camm, Kenneth D.'
'Kilner, Colin A.'
'Halcrow, Malcolm A.'
_publ_section_title
;
 Novel hydrogen bond network topologies in complexes of the ditopic
 ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              719
_journal_paper_doi               10.1039/b609424d
_journal_volume                  8
_journal_year                    2006
_chemical_formula_moiety         'C16 H16 Cl2 Fe N8, Cl, 4[C H4 O]'
_chemical_formula_sum            'C20 H32 Cl3 Fe N8 O4'
_chemical_formula_weight         610.74
_chemical_name_systematic
;
Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]iron(III) chloride
tetrakis-methanol solvate (2.4CH₃OH)
;
_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                95.9291(6)
_cell_angle_beta                 96.0695(6)
_cell_angle_gamma                110.0749(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7275(2)
_cell_length_b                   11.6620(2)
_cell_length_c                   11.9305(2)
_cell_measurement_reflns_used    31506
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.30
_cell_measurement_theta_min      2.36
_cell_volume                     1378.36(4)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEX (McArdle, 1995)'
_computing_publication_material  'local program'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type
'Nonius KappaCCD area detector diffractometer'
_diffrn_measurement_method       'ω and φ 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  0.0881
_diffrn_reflns_av_sigmaI/netI    0.0547
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            31506
_diffrn_reflns_theta_full        27.30
_diffrn_reflns_theta_max         27.30
_diffrn_reflns_theta_min         2.36
_exptl_absorpt_coefficient_mu    0.879
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.719
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Using multiple and symmetry-related data measurements via the program SORTAV
See R.H. Blessing, Acta Cryst (1995), A51, 33-38
;
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             634
_exptl_crystal_size_max          0.66
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.395
_refine_diff_density_min         -0.582
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         6159
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0487P)²+0.3402P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0895
_refine_ls_wR_factor_ref         0.0974
_reflns_number_gt                4977
_reflns_number_total             6159
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b609424d.txt
_cod_data_source_block           c:\datasets\leeds\lfj1a\lfj1a
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1378.35(4)
_cod_database_code               7203558
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.14195(3) 0.01023(2) 0.30323(2) 0.01978(9) Uani 1 1 d . . .
Cl2 Cl 0.23913(4) 0.18422(4) 0.44061(4) 0.02390(12) Uani 1 1 d . . .
Cl3 Cl -0.07848(4) -0.01174(4) 0.30596(4) 0.02541(12) Uani 1 1 d . . .
N4 N 0.33842(15) -0.01822(14) 0.31115(14) 0.0224(3) Uani 1 1 d . . .
C5 C 0.44501(19) 0.04438(18) 0.26381(18) 0.0261(4) Uani 1 1 d . . .
H5 H 0.4367 0.1029 0.2166 0.031 Uiso 1 1 calc R . .
C6 C 0.5664(2) 0.02668(19) 0.28133(19) 0.0294(5) Uani 1 1 d . . .
H6 H 0.6400 0.0722 0.2466 0.035 Uiso 1 1 calc R . .
C7 C 0.5789(2) -0.05855(19) 0.35038(19) 0.0294(5) Uani 1 1 d . . .
H7 H 0.6617 -0.0711 0.3649 0.035 Uiso 1 1 calc R . .
C8 C 0.4689(2) -0.12520(18) 0.39790(19) 0.0271(4) Uani 1 1 d . . .
H8 H 0.4746 -0.1853 0.4442 0.032 Uiso 1 1 calc R . .
C9 C 0.35057(19) -0.10277(17) 0.37676(17) 0.0231(4) Uani 1 1 d . . .
C10 C 0.22987(18) -0.16392(17) 0.42597(17) 0.0220(4) Uani 1 1 d . . .
N11 N 0.12722(15) -0.12404(14) 0.40239(14) 0.0219(3) Uani 1 1 d . . .
N12 N 0.02764(16) -0.19183(15) 0.45764(15) 0.0233(4) Uani 1 1 d D . .
H12 H -0.044(2) -0.174(2) 0.467(2) 0.046(2) Uiso 1 1 d D . .
C13 C 0.0682(2) -0.26857(18) 0.51670(18) 0.0266(4) Uani 1 1 d . . .
C14 C 0.1986(2) -0.25384(18) 0.49583(18) 0.0275(4) Uani 1 1 d . . .
H14 H 0.2536 -0.2966 0.5238 0.033 Uiso 1 1 calc R . .
N15 N -0.0100(2) -0.34338(19) 0.57995(19) 0.0382(5) Uani 1 1 d D . .
H15A H -0.081(2) -0.333(2) 0.596(2) 0.046(2) Uiso 1 1 d D . .
H15B H 0.027(2) -0.384(2) 0.622(2) 0.046(2) Uiso 1 1 d D . .
N16 N 0.08675(15) -0.12304(14) 0.14600(14) 0.0223(3) Uani 1 1 d . . .
C17 C 0.02508(19) -0.24573(18) 0.13803(19) 0.0263(4) Uani 1 1 d . . .
H17 H 0.0008 -0.2800 0.2049 0.032 Uiso 1 1 calc R . .
C18 C -0.0044(2) -0.32424(19) 0.03533(19) 0.0294(5) Uani 1 1 d . . .
H18 H -0.0482 -0.4107 0.0322 0.035 Uiso 1 1 calc R . .
C19 C 0.0308(2) -0.27503(19) -0.0624(2) 0.0312(5) Uani 1 1 d . . .
H19 H 0.0128 -0.3274 -0.1332 0.037 Uiso 1 1 calc R . .
C20 C 0.09286(19) -0.14773(18) -0.05551(18) 0.0263(4) Uani 1 1 d . . .
H20 H 0.1169 -0.1117 -0.1216 0.032 Uiso 1 1 calc R . .
C21 C 0.11894(18) -0.07472(17) 0.04948(17) 0.0220(4) Uani 1 1 d . . .
C22 C 0.18227(18) 0.06026(17) 0.06860(17) 0.0218(4) Uani 1 1 d . . .
N23 N 0.19407(16) 0.11504(14) 0.17591(14) 0.0219(3) Uani 1 1 d . . .
N24 N 0.26064(16) 0.23810(15) 0.17524(14) 0.0222(3) Uani 1 1 d D . .
H24 H 0.267(3) 0.296(2) 0.234(2) 0.046(2) Uiso 1 1 d D . .
C25 C 0.28806(19) 0.25987(18) 0.06978(17) 0.0231(4) Uani 1 1 d . . .
C26 C 0.23811(19) 0.14622(18) -0.00164(17) 0.0244(4) Uani 1 1 d . . .
H26 H 0.2416 0.1310 -0.0808 0.029 Uiso 1 1 calc R . .
N27 N 0.34972(19) 0.37685(16) 0.04883(16) 0.0298(4) Uani 1 1 d D . .
H27A H 0.415(2) 0.425(2) 0.1024(18) 0.046(2) Uiso 1 1 d D . .
H27B H 0.364(2) 0.388(2) -0.0206(16) 0.046(2) Uiso 1 1 d D . .
Cl28 Cl 0.15434(6) -0.48100(5) 0.74131(5) 0.03739(14) Uani 1 1 d . . .
C29 C 0.2349(2) 0.5407(2) 0.2548(2) 0.0392(5) Uani 1 1 d . . .
H29A H 0.1509 0.5454 0.2765 0.059 Uiso 1 1 calc R . .
H29B H 0.2234 0.5172 0.1721 0.059 Uiso 1 1 calc R . .
H29C H 0.3069 0.6215 0.2775 0.059 Uiso 1 1 calc R . .
O30 O 0.26890(17) 0.45071(15) 0.31077(15) 0.0378(4) Uani 1 1 d D . .
H30 H 0.289(3) 0.471(2) 0.3784(18) 0.046(2) Uiso 1 1 d D . .
C31 C 0.4469(2) 0.6041(2) 0.5954(2) 0.0382(5) Uani 1 1 d . . .
H31A H 0.5087 0.6252 0.5396 0.057 Uiso 1 1 calc R . .
H31B H 0.4819 0.5642 0.6530 0.057 Uiso 1 1 calc R . .
H31C H 0.4382 0.6794 0.6325 0.057 Uiso 1 1 calc R . .
O32 O 0.31953(15) 0.52240(14) 0.53953(14) 0.0346(4) Uani 1 1 d D . .
H32 H 0.261(2) 0.513(2) 0.582(2) 0.046(2) Uiso 1 1 d D . .
C33 C 0.6273(3) 0.6702(2) 0.2584(2) 0.0420(6) Uani 1 1 d . . .
H33A H 0.6139 0.6456 0.3336 0.063 Uiso 1 1 calc R . .
H33B H 0.5633 0.7094 0.2348 0.063 Uiso 1 1 calc R . .
H33C H 0.7191 0.7288 0.2623 0.063 Uiso 1 1 calc R . .
O34 O 0.60649(15) 0.56446(14) 0.17817(13) 0.0317(3) Uani 1 1 d D . .
H34 H 0.665(2) 0.539(2) 0.192(2) 0.046(2) Uiso 1 1 d D . .
C35 C 0.6134(3) 0.2492(3) -0.0011(3) 0.0650(8) Uani 1 1 d . . .
H35A H 0.6075 0.3294 -0.0124 0.097 Uiso 1 1 calc R . .
H35B H 0.5339 0.1829 -0.0440 0.097 Uiso 1 1 calc R . .
H35C H 0.6943 0.2429 -0.0282 0.097 Uiso 1 1 calc R . .
O36 O 0.6200(2) 0.2386(2) 0.1146(2) 0.0702(6) Uani 1 1 d D . .
H36 H 0.681(2) 0.300(2) 0.147(2) 0.046(2) Uiso 1 1 d 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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
N11 Fe1 N23 160.24(6) . . ?
N11 Fe1 N16 92.12(6) . . ?
N23 Fe1 N16 74.88(6) . . ?
N11 Fe1 N4 74.60(6) . . ?
N23 Fe1 N4 89.03(6) . . ?
N16 Fe1 N4 83.89(6) . . ?
N11 Fe1 Cl3 91.71(5) . . ?
N23 Fe1 Cl3 103.14(5) . . ?
N16 Fe1 Cl3 90.99(4) . . ?
N4 Fe1 Cl3 165.13(4) . . ?
N11 Fe1 Cl2 99.99(5) . . ?
N23 Fe1 Cl2 90.86(5) . . ?
N16 Fe1 Cl2 164.57(5) . . ?
N4 Fe1 Cl2 90.11(4) . . ?
Cl3 Fe1 Cl2 98.103(19) . . ?
C5 N4 C9 118.30(16) . . ?
C5 N4 Fe1 126.85(13) . . ?
C9 N4 Fe1 114.71(12) . . ?
N4 C5 C6 122.47(19) . . ?
N4 C5 H5 118.8 . . ?
C6 C5 H5 118.8 . . ?
C5 C6 C7 118.88(19) . . ?
C5 C6 H6 120.6 . . ?
C7 C6 H6 120.6 . . ?
C8 C7 C6 119.12(18) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
C9 C8 C7 118.91(19) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
N4 C9 C8 122.30(18) . . ?
N4 C9 C10 113.98(16) . . ?
C8 C9 C10 123.69(18) . . ?
N11 C10 C14 111.36(17) . . ?
N11 C10 C9 115.38(17) . . ?
C14 C10 C9 133.23(17) . . ?
C10 N11 N12 105.21(15) . . ?
C10 N11 Fe1 121.27(13) . . ?
N12 N11 Fe1 133.53(12) . . ?
C13 N12 N11 111.08(15) . . ?
C13 N12 H12 124.5(18) . . ?
N11 N12 H12 122.7(18) . . ?
N15 C13 N12 122.80(19) . . ?
N15 C13 C14 130.12(19) . . ?
N12 C13 C14 107.07(17) . . ?
C10 C14 C13 105.23(17) . . ?
C10 C14 H14 127.4 . . ?
C13 C14 H14 127.4 . . ?
C13 N15 H15A 120.0(17) . . ?
C13 N15 H15B 117.2(16) . . ?
H15A N15 H15B 120(2) . . ?
C17 N16 C21 118.45(17) . . ?
C17 N16 Fe1 125.73(14) . . ?
C21 N16 Fe1 115.82(12) . . ?
N16 C17 C18 122.22(19) . . ?
N16 C17 H17 118.9 . . ?
C18 C17 H17 118.9 . . ?
C19 C18 C17 119.19(19) . . ?
C19 C18 H18 120.4 . . ?
C17 C18 H18 120.4 . . ?
C18 C19 C20 119.1(2) . . ?
C18 C19 H19 120.4 . . ?
C20 C19 H19 120.4 . . ?
C21 C20 C19 118.7(2) . . ?
C21 C20 H20 120.6 . . ?
C19 C20 H20 120.6 . . ?
N16 C21 C20 122.28(18) . . ?
N16 C21 C22 113.33(17) . . ?
C20 C21 C22 124.39(18) . . ?
N23 C22 C26 111.31(17) . . ?
N23 C22 C21 115.50(17) . . ?
C26 C22 C21 133.16(19) . . ?
C22 N23 N24 105.54(16) . . ?
C22 N23 Fe1 120.19(13) . . ?
N24 N23 Fe1 133.53(13) . . ?
C25 N24 N23 110.90(16) . . ?
C25 N24 H24 125.4(17) . . ?
N23 N24 H24 122.3(17) . . ?
N24 C25 N27 120.76(18) . . ?
N24 C25 C26 107.37(17) . . ?
N27 C25 C26 131.83(19) . . ?
C22 C26 C25 104.87(17) . . ?
C22 C26 H26 127.6 . . ?
C25 C26 H26 127.6 . . ?
C25 N27 H27A 115.4(17) . . ?
C25 N27 H27B 118.3(17) . . ?
H27A N27 H27B 115(2) . . ?
O30 C29 H29A 109.5 . . ?
O30 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O30 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C29 O30 H30 113(2) . . ?
O32 C31 H31A 109.5 . . ?
O32 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O32 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C31 O32 H32 112.1(19) . . ?
O34 C33 H33A 109.5 . . ?
O34 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
O34 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C33 O34 H34 109(2) . . ?
O36 C35 H35A 109.5 . . ?
O36 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
O36 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C35 O36 H36 106(2) . . ?
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
Fe1 N11 2.0319(16) . ?
Fe1 N23 2.0513(16) . ?
Fe1 N16 2.1946(16) . ?
Fe1 N4 2.2373(15) . ?
Fe1 Cl3 2.2935(5) . ?
Fe1 Cl2 2.3216(5) . ?
N4 C5 1.345(3) . ?
N4 C9 1.352(2) . ?
C5 C6 1.385(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.386(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.386(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.385(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.464(3) . ?
C10 N11 1.350(2) . ?
C10 C14 1.380(3) . ?
N11 N12 1.370(2) . ?
N12 C13 1.349(3) . ?
N12 H12 0.876(18) . ?
C13 N15 1.342(3) . ?
C13 C14 1.402(3) . ?
C14 H14 0.9500 . ?
N15 H15A 0.853(18) . ?
N15 H15B 0.878(18) . ?
N16 C17 1.343(2) . ?
N16 C21 1.359(3) . ?
C17 C18 1.388(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.383(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.392(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.466(3) . ?
C22 N23 1.343(3) . ?
C22 C26 1.390(3) . ?
N23 N24 1.367(2) . ?
N24 C25 1.352(3) . ?
N24 H24 0.899(19) . ?
C25 N27 1.359(3) . ?
C25 C26 1.397(3) . ?
C26 H26 0.9500 . ?
N27 H27A 0.880(18) . ?
N27 H27B 0.872(18) . ?
C29 O30 1.427(3) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
O30 H30 0.80(2) . ?
C31 O32 1.415(3) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
O32 H32 0.83(2) . ?
C33 O34 1.417(3) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
O34 H34 0.79(2) . ?
C35 O36 1.395(4) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
O36 H36 0.81(2) . ?
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
N12 H12 Cl2 0.876(18) 2.45(2) 3.2493(17) 153(2) 2_556
N15 H15A Cl2 0.853(18) 2.84(2) 3.556(2) 142(2) 2_556
N15 H15A O30 0.853(18) 2.46(2) 3.114(3) 134(2) 2_556
N15 H15B Cl28 0.878(18) 2.480(18) 3.355(2) 174(2) .
N24 H24 O30 0.899(19) 1.93(2) 2.786(2) 158(2) .
N27 H27A O34 0.880(18) 2.17(2) 3.004(2) 159(2) .
N27 H27B O34 0.872(18) 2.042(19) 2.908(2) 172(2) 2_665
O30 H30 O32 0.80(2) 1.91(2) 2.710(2) 173(3) .
O32 H32 Cl28 0.83(2) 2.33(2) 3.1322(17) 162(3) 1_565
O34 H34 Cl28 0.79(2) 2.35(2) 3.1368(16) 172(3) 2_656
O36 H36 Cl28 0.81(2) 2.39(2) 3.197(2) 173(3) 2_656
