#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/00/2230074.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2230074
loop_
_publ_author_name
'Sun, Shaojun'
'Yang, Jie'
_publ_section_title
;
 Bis(μ-2-{[oxido(phenyl)methylidene]hydrazinylidene}propanoato)bis[dibenzyl(ethanol)tin(IV)]
;
_journal_coeditor_code           LR2004
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m544
_journal_paper_doi               10.1107/S1600536811011937
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn2 (C7 H7)4 (C10 H8 N2 O3)2 (C2 H6 O)2]'
_chemical_formula_moiety         'C52 H56 N4 O8 Sn2'
_chemical_formula_sum            'C52 H56 N4 O8 Sn2'
_chemical_formula_weight         1102.42
_chemical_name_systematic
;
Bis(μ-2-{[oxido(phenyl)methylidene]hydrazinylidene}propanoato)
bis[dibenzyl(ethanol)tin(IV)]
;
_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                96.170(3)
_cell_angle_beta                 93.728(2)
_cell_angle_gamma                105.861(3)
_cell_formula_units_Z            1
_cell_length_a                   8.7187(18)
_cell_length_b                   11.385(2)
_cell_length_c                   13.198(3)
_cell_measurement_reflns_used    3583
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.297
_cell_measurement_theta_min      2.592
_cell_volume                     1246.8(4)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Siemens SMART 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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0357
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6566
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    1.058
_exptl_absorpt_correction_T_max  0.7929
_exptl_absorpt_correction_T_min  0.6474
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.038
_refine_diff_density_min         -0.578
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4356
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0421
_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)+(0.0509P)²+2.1936P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1162
_reflns_number_gt                3598
_reflns_number_total             4356
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            lr2004.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P -1   '
_cod_database_code               2230074
_cod_database_fobs_code          2230074
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.93329(4) 0.91659(3) 0.13554(2) 0.04906(15) Uani d . 1 . .
N N1 0.7188(5) 0.9747(4) 0.1792(3) 0.0470(9) Uani d . 1 . .
N N2 0.6493(5) 0.9324(4) 0.2637(3) 0.0512(10) Uani d . 1 . .
O O1 0.8691(4) 1.0434(3) 0.0211(2) 0.0504(8) Uani d . 1 . .
O O2 0.7086(5) 1.1605(4) -0.0098(3) 0.0724(12) Uani d . 1 . .
O O3 0.8542(4) 0.8390(3) 0.2709(2) 0.0538(9) Uani d . 1 . .
O O4 1.1210(5) 0.8036(4) 0.1661(3) 0.0688(11) Uani d . 1 . .
H H4 1.1866 0.8112 0.1237 0.103 Uiso d R 1 C .
C C1 0.7536(6) 1.0884(5) 0.0400(4) 0.0509(12) Uani d . 1 . .
C C2 0.6661(6) 1.0494(5) 0.1312(4) 0.0506(12) Uani d . 1 . .
C C3 0.5333(7) 1.0990(6) 0.1618(4) 0.0679(16) Uani d . 1 . .
H H3A 0.4925 1.0645 0.2212 0.102 Uiso calc R 1 . .
H H3B 0.4492 1.0778 0.1066 0.102 Uiso calc R 1 . .
H H3C 0.5720 1.1870 0.1774 0.102 Uiso calc R 1 . .
C C4 0.7284(6) 0.8633(5) 0.3039(4) 0.0537(12) Uani d . 1 . .
C C5 0.6677(6) 0.8078(5) 0.3953(4) 0.0569(13) Uani d . 1 . .
C C6 0.5814(8) 0.8628(6) 0.4586(4) 0.0730(17) Uani d . 1 . .
H H6 0.5608 0.9355 0.4441 0.088 Uiso calc R 1 . .
C C7 0.5253(9) 0.8109(7) 0.5433(5) 0.0824(19) Uani d . 1 . .
H H7 0.4656 0.8484 0.5851 0.099 Uiso calc R 1 . .
C C8 0.5554(9) 0.7072(7) 0.5662(5) 0.086(2) Uani d . 1 . .
H H8 0.5173 0.6736 0.6240 0.104 Uiso calc R 1 . .
C C9 0.6420(8) 0.6504(7) 0.5052(5) 0.0817(19) Uani d . 1 . .
H H9 0.6628 0.5783 0.5210 0.098 Uiso calc R 1 . .
C C10 0.6986(8) 0.7022(6) 0.4190(4) 0.0717(16) Uani d . 1 . .
H H10 0.7580 0.6644 0.3772 0.086 Uiso calc R 1 . .
C C11 0.8119(8) 0.7607(5) 0.0268(4) 0.0695(16) Uani d . 1 . .
H H11A 0.7330 0.7837 -0.0161 0.083 Uiso calc R 1 A 1
H H11B 0.8892 0.7414 -0.0170 0.083 Uiso calc R 1 A 1
C C12 0.73(9) 0.65(8) 0.07(6) 0.08(4) Uani d P 0.57(5) B 1
C C13 0.804(3) 0.5516(19) 0.065(3) 0.084(6) Uani d P 0.57(5) B 1
H H13 0.8992 0.5572 0.0352 0.100 Uiso calc PR 0.57(5) B 1
C C14 0.723(3) 0.4437(19) 0.110(2) 0.087(6) Uani d P 0.57(5) B 1
H H14 0.7650 0.3766 0.1083 0.105 Uiso calc PR 0.57(5) B 1
C C15 0.582(4) 0.440(4) 0.156(2) 0.090(9) Uani d P 0.57(5) B 1
H H15 0.5369 0.3732 0.1897 0.108 Uiso calc PR 0.57(5) B 1
C C16 0.504(4) 0.533(3) 0.1544(19) 0.087(8) Uani d P 0.57(5) B 1
H H16 0.4062 0.5260 0.1805 0.105 Uiso calc PR 0.57(5) B 1
C C17 0.584(7) 0.638(5) 0.110(3) 0.080(8) Uani d P 0.57(5) B 1
H H17 0.5378 0.7020 0.1088 0.096 Uiso calc PR 0.57(5) B 1
C C12' 0.71(12) 0.66(11) 0.08(7) 0.08(5) Uani d P 0.43(5) B 2
C C13' 0.771(4) 0.562(3) 0.116(3) 0.085(8) Uani d P 0.43(5) B 2
H H13' 0.8775 0.5638 0.1114 0.101 Uiso calc PR 0.43(5) B 2
C C14' 0.668(5) 0.466(4) 0.159(4) 0.087(12) Uani d P 0.43(5) B 2
H H14' 0.7032 0.4010 0.1792 0.105 Uiso calc PR 0.43(5) B 2
C C15' 0.510(7) 0.472(3) 0.172(3) 0.085(10) Uani d P 0.43(5) B 2
H H15' 0.4456 0.4140 0.2079 0.102 Uiso calc PR 0.43(5) B 2
C C16' 0.447(5) 0.562(4) 0.133(3) 0.087(9) Uani d P 0.43(5) B 2
H H16' 0.3407 0.5608 0.1378 0.105 Uiso calc PR 0.43(5) B 2
C C17' 0.551(9) 0.654(6) 0.086(4) 0.080(10) Uani d P 0.43(5) B 2
H H17' 0.5130 0.7144 0.0590 0.096 Uiso calc PR 0.43(5) B 2
C C18 1.1115(7) 1.0740(5) 0.2175(4) 0.0601(14) Uani d . 1 . .
H H18A 1.1875 1.0456 0.2581 0.072 Uiso calc R 1 B .
H H18B 1.1696 1.1219 0.1684 0.072 Uiso calc R 1 . .
C C19 1.0435(7) 1.1550(6) 0.2859(4) 0.0598(14) Uani d . 1 B .
C C20 1.0187(8) 1.2612(6) 0.2555(5) 0.0770(17) Uani d . 1 . .
H H20 1.0463 1.2836 0.1919 0.092 Uiso calc R 1 B .
C C21 0.9518(9) 1.3352(7) 0.3206(6) 0.092(2) Uani d . 1 B .
H H21 0.9346 1.4069 0.3007 0.110 Uiso calc R 1 . .
C C22 0.9123(9) 1.3008(8) 0.4137(6) 0.094(2) Uani d . 1 . .
H H22 0.8676 1.3497 0.4569 0.113 Uiso calc R 1 B .
C C23 0.9365(9) 1.1978(8) 0.4443(5) 0.088(2) Uani d . 1 B .
H H23 0.9088 1.1763 0.5081 0.105 Uiso calc R 1 . .
C C24 1.0019(8) 1.1246(6) 0.3818(4) 0.0721(16) Uani d . 1 . .
H H24 1.0187 1.0537 0.4036 0.086 Uiso calc R 1 B .
C C25 1.2109(15) 0.7949(13) 0.2607(7) 0.075(3) Uani d P 0.79(2) C 1
H H25A 1.1945 0.8530 0.3153 0.090 Uiso calc PR 0.79(2) C 1
H H25B 1.3244 0.8163 0.2518 0.090 Uiso calc PR 0.79(2) C 1
C C26 1.1585(19) 0.6675(12) 0.2895(11) 0.110(5) Uani d P 0.79(2) C 1
H H26A 1.0507 0.6509 0.3080 0.165 Uiso calc PR 0.79(2) C 1
H H26B 1.2283 0.6609 0.3466 0.165 Uiso calc PR 0.79(2) C 1
H H26C 1.1629 0.6091 0.2324 0.165 Uiso calc PR 0.79(2) C 1
C C25' 1.120(7) 0.719(5) 0.238(3) 0.082(12) Uani d P 0.21(2) C 2
H H25C 1.0292 0.6468 0.2190 0.099 Uiso calc PR 0.21(2) C 2
H H25D 1.1083 0.7569 0.3053 0.099 Uiso calc PR 0.21(2) C 2
C C26' 1.274(7) 0.681(4) 0.241(4) 0.110(18) Uani d P 0.21(2) C 2
H H26D 1.2485 0.5930 0.2267 0.165 Uiso calc PR 0.21(2) C 2
H H26E 1.3307 0.7075 0.3082 0.165 Uiso calc PR 0.21(2) C 2
H H26F 1.3391 0.7184 0.1911 0.165 Uiso calc PR 0.21(2) C 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'
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'
Sn Sn -0.6537 1.4246 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C11 Sn1 O3 . . 97.42(19) y
C11 Sn1 C18 . . 163.3(2) y
O3 Sn1 C18 . . 94.77(18) y
C11 Sn1 N1 . . 97.9(2) y
O3 Sn1 N1 . . 70.83(13) y
C18 Sn1 N1 . . 96.85(18) y
C11 Sn1 O1 . . 88.59(19) y
O3 Sn1 O1 . . 140.42(12) y
C18 Sn1 O1 . . 89.30(18) y
N1 Sn1 O1 . . 69.60(12) y
C11 Sn1 O4 . . 84.9(2) y
O3 Sn1 O4 . . 78.79(13) y
C18 Sn1 O4 . . 86.28(19) y
N1 Sn1 O4 . . 149.60(14) y
O1 Sn1 O4 . . 140.79(12) y
C11 Sn1 O1 . 2_775 80.32(18) y
O3 Sn1 O1 . 2_775 154.13(12) y
C18 Sn1 O1 . 2_775 83.72(16) y
N1 Sn1 O1 . 2_775 135.04(12) y
O1 Sn1 O1 . 2_775 65.45(12) y
O4 Sn1 O1 . 2_775 75.34(11) y
C2 N1 N2 . . 120.3(4) ?
C2 N1 Sn1 . . 121.9(3) ?
N2 N1 Sn1 . . 117.7(3) ?
C4 N2 N1 . . 109.7(4) ?
C1 O1 Sn1 . . 117.0(3) ?
C4 O3 Sn1 . . 115.9(3) ?
C25' O4 C25 . . 41(2) ?
C25' O4 Sn1 . . 128.5(18) ?
C25 O4 Sn1 . . 130.5(5) ?
C25' O4 H4 . . 119.4 ?
C25 O4 H4 . . 104.5 ?
Sn1 O4 H4 . . 111.7 ?
O2 C1 O1 . . 125.3(5) ?
O2 C1 C2 . . 118.0(4) ?
O1 C1 C2 . . 116.7(4) ?
N1 C2 C3 . . 124.2(5) ?
N1 C2 C1 . . 114.7(4) ?
C3 C2 C1 . . 121.1(5) ?
C2 C3 H3A . . 109.5 ?
C2 C3 H3B . . 109.5 ?
H3A C3 H3B . . 109.5 ?
C2 C3 H3C . . 109.5 ?
H3A C3 H3C . . 109.5 ?
H3B C3 H3C . . 109.5 ?
O3 C4 N2 . . 125.9(4) ?
O3 C4 C5 . . 117.2(5) ?
N2 C4 C5 . . 116.9(5) ?
C10 C5 C6 . . 118.8(5) ?
C10 C5 C4 . . 120.7(5) ?
C6 C5 C4 . . 120.5(5) ?
C5 C6 C7 . . 120.3(7) ?
C5 C6 H6 . . 119.8 ?
C7 C6 H6 . . 119.8 ?
C8 C7 C6 . . 120.8(7) ?
C8 C7 H7 . . 119.6 ?
C6 C7 H7 . . 119.6 ?
C7 C8 C9 . . 120.4(6) ?
C7 C8 H8 . . 119.8 ?
C9 C8 H8 . . 119.8 ?
C8 C9 C10 . . 119.1(7) ?
C8 C9 H9 . . 120.5 ?
C10 C9 H9 . . 120.5 ?
C5 C10 C9 . . 120.6(6) ?
C5 C10 H10 . . 119.7 ?
C9 C10 H10 . . 119.7 ?
C12 C11 C12' . . 8(10) ?
C12 C11 Sn1 . . 116(10) ?
C12' C11 Sn1 . . 112(10) ?
C12 C11 H11A . . 108.3 ?
C12' C11 H11A . . 104.2 ?
Sn1 C11 H11A . . 108.2 ?
C12 C11 H11B . . 108.2 ?
C12' C11 H11B . . 119.0 ?
Sn1 C11 H11B . . 108.2 ?
H11A C11 H11B . . 107.4 ?
C17 C12 C13 . . 122(10) ?
C17 C12 C11 . . 121(10) ?
C13 C12 C11 . . 117(10) ?
C12 C13 C14 . . 116(10) ?
C12 C13 H13 . . 122.0 ?
C14 C13 H13 . . 122.0 ?
C15 C14 C13 . . 120(2) ?
C15 C14 H14 . . 120.0 ?
C13 C14 H14 . . 120.0 ?
C16 C15 C14 . . 123(3) ?
C16 C15 H15 . . 118.3 ?
C14 C15 H15 . . 118.3 ?
C15 C16 C17 . . 116(3) ?
C15 C16 H16 . . 122.0 ?
C17 C16 H16 . . 122.0 ?
C12 C17 C16 . . 122(10) ?
C12 C17 H17 . . 118.8 ?
C16 C17 H17 . . 118.8 ?
C13' C12' C17' . . 120(10) ?
C13' C12' C11 . . 122.0 ?
C17' C12' C11 . . 119.0 ?
C12' C13' C14' . . 121(10) ?
C12' C13' H13' . . 119.7 ?
C14' C13' H13' . . 119.7 ?
C13' C14' C15' . . 118(3) ?
C13' C14' H14' . . 120.9 ?
C15' C14' H14' . . 120.9 ?
C14' C15' C16' . . 122(4) ?
C14' C15' H15' . . 118.9 ?
C16' C15' H15' . . 118.9 ?
C17' C16' C15' . . 118(4) ?
C17' C16' H16' . . 121.1 ?
C15' C16' H16' . . 121.1 ?
C16' C17' C12' . . 121(10) ?
C16' C17' H17' . . 119.7 ?
C12' C17' H17' . . 119.7 ?
C19 C18 Sn1 . . 113.5(4) ?
C19 C18 H18A . . 108.9 ?
Sn1 C18 H18A . . 108.9 ?
C19 C18 H18B . . 108.9 ?
Sn1 C18 H18B . . 108.9 ?
H18A C18 H18B . . 107.7 ?
C20 C19 C24 . . 118.6(6) ?
C20 C19 C18 . . 120.8(5) ?
C24 C19 C18 . . 120.6(6) ?
C19 C20 C21 . . 119.8(7) ?
C19 C20 H20 . . 120.1 ?
C21 C20 H20 . . 120.1 ?
C22 C21 C20 . . 119.2(8) ?
C22 C21 H21 . . 120.4 ?
C20 C21 H21 . . 120.4 ?
C23 C22 C21 . . 121.5(7) ?
C23 C22 H22 . . 119.3 ?
C21 C22 H22 . . 119.3 ?
C22 C23 C24 . . 120.1(7) ?
C22 C23 H23 . . 119.9 ?
C24 C23 H23 . . 119.9 ?
C23 C24 C19 . . 120.8(7) ?
C23 C24 H24 . . 119.6 ?
C19 C24 H24 . . 119.6 ?
O4 C25 C26 . . 110.9(11) ?
O4 C25 H25A . . 109.5 ?
C26 C25 H25A . . 109.5 ?
O4 C25 H25B . . 109.5 ?
C26 C25 H25B . . 109.5 ?
H25A C25 H25B . . 108.1 ?
O4 C25' C26' . . 111(4) ?
O4 C25' H25C . . 109.5 ?
C26' C25' H25C . . 109.5 ?
O4 C25' H25D . . 109.5 ?
C26' C25' H25D . . 109.5 ?
H25C C25' H25D . . 108.1 ?
C25' C26' H26D . . 109.5 ?
C25' C26' H26E . . 109.5 ?
H26D C26' H26E . . 109.5 ?
C25' C26' H26F . . 109.5 ?
H26D C26' H26F . . 109.5 ?
H26E C26' H26F . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 C11 . 2.135(6) y
Sn1 O3 . 2.148(3) y
Sn1 C18 . 2.154(6) y
Sn1 N1 . 2.237(4) y
Sn1 O1 . 2.341(3) y
Sn1 O4 . 2.382(4) y
Sn1 O1 2_775 2.772(3) y
N1 C2 . 1.276(6) ?
N1 N2 . 1.373(5) ?
N2 C4 . 1.310(7) ?
O1 C1 . 1.276(6) ?
O2 C1 . 1.233(6) ?
O3 C4 . 1.293(6) ?
O4 C25' . 1.42(4) ?
O4 C25 . 1.458(10) ?
O4 H4 . 0.8200 ?
C1 C2 . 1.508(7) ?
C2 C3 . 1.481(7) ?
C3 H3A . 0.9600 ?
C3 H3B . 0.9600 ?
C3 H3C . 0.9600 ?
C4 C5 . 1.483(7) ?
C5 C10 . 1.364(8) ?
C5 C6 . 1.372(8) ?
C6 C7 . 1.376(8) ?
C6 H6 . 0.9300 ?
C7 C8 . 1.338(10) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.368(10) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.394(8) ?
C9 H9 . 0.9300 ?
C10 H10 . 0.9300 ?
C11 C12 . 1.5(9) ?
C11 C12' . 1.5(12) ?
C11 H11A . 0.9700 ?
C11 H11B . 0.9700 ?
C12 C17 . 1.4(6) ?
C12 C13 . 1.4(7) ?
C13 C14 . 1.45(3) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.41(3) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.40(4) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.41(6) ?
C16 H16 . 0.9300 ?
C17 H17 . 0.9300 ?
C12' C13' . 1.4(12) ?
C12' C17' . 1.4(9) ?
C13' C14' . 1.41(4) ?
C13' H13' . 0.9300 ?
C14' C15' . 1.41(6) ?
C14' H14' . 0.9300 ?
C15' C16' . 1.42(4) ?
C15' H15' . 0.9300 ?
C16' C17' . 1.42(9) ?
C16' H16' . 0.9300 ?
C17' H17' . 0.9300 ?
C18 C19 . 1.485(8) ?
C18 H18A . 0.9700 ?
C18 H18B . 0.9700 ?
C19 C20 . 1.380(9) ?
C19 C24 . 1.392(8) ?
C20 C21 . 1.403(9) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.366(10) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.345(11) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.369(9) ?
C23 H23 . 0.9300 ?
C24 H24 . 0.9300 ?
C25 C26 . 1.49(2) ?
C25 H25A . 0.9700 ?
C25 H25B . 0.9700 ?
C26 H26A . 0.9600 ?
C26 H26B . 0.9600 ?
C26 H26C . 0.9600 ?
C25' C26' . 1.52(7) ?
C25' H25C . 0.9700 ?
C25' H25D . 0.9700 ?
C26' H26D . 0.9600 ?
C26' H26E . 0.9600 ?
C26' H26F . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O4 H4 O2 2_775 0.82 1.82 2.624(6) 165
