#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/31/8103120.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_8103120
loop_
_publ_author_name
'Qin Huang'
'Zhanqian Song'
'Xiaoping Rao'
'Shibin Shang'
_publ_section_title
;
 Crystal structure of
 trikis(4,4'-bipyridine)-bis(N-dimethylformamide)copper(II)
 bis(perchlorate) --- pyridine (1:2), [Cu(C10H8N2)3(C3H7O)2][ClO4]2
 · 2C10H8N2
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              153
_journal_volume                  226
_journal_year                    2011
_chemical_formula_sum            'C56 H54 Cl2 Cu N12 O10'
_chemical_formula_weight         1189.55
_chemical_name_systematic
; 
pentakis(4,4'-dipyridine)bis(N-Dimethylform amide)copper(II) bis(perchlorate),
C₅₆H₅₄Cl₂CuN₁₂O₁₀   
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 120.94(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.303(13)
_cell_length_b                   11.041(5)
_cell_length_c                   20.924(8)
_cell_measurement_reflns_used    1232
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.33
_cell_measurement_theta_min      2.32
_cell_volume                     5806(5)
_computing_cell_refinement       'SMART '
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL '
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'φ and ω 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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13291
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    0.536
_exptl_absorpt_correction_T_max  0.8347
_exptl_absorpt_correction_T_min  0.8347
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2468
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.985
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         5117
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0772
_refine_ls_R_factor_gt           0.0638
_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)+(0.1089P)²+13.2604P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1800
_refine_ls_wR_factor_ref         0.1947
_reflns_number_gt                4176
_reflns_number_total             5117
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-3332.cff
_cod_data_source_block           New_Global_Publ_Block
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        5806(4)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               8103120
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Cu1 Cu 0.5000 0.66787(5) 0.7500 0.0367(2) Uani 1 2 d S . .
N1 N 0.8697(3) -0.0182(7) 0.7913(4) 0.113(2) Uani 1 1 d . . .
N2 N 0.6073(3) 0.0600(7) 0.7120(8) 0.170(5) Uani 1 1 d . . .
N3 N 0.86457(18) 0.6775(6) 0.9999(3) 0.1012(18) Uani 1 1 d . . .
N4 N 0.58155(11) 0.6685(2) 0.80499(16) 0.0390(7) Uani 1 1 d . . .
N5 N 0.5000 0.4863(3) 0.7500 0.0364(9) Uani 1 2 d S . .
N6 N 0.5000 0.8503(3) 0.7500 0.0383(9) Uani 1 2 d S . .
N7 N 0.5163(2) 0.7020(5) 0.9794(3) 0.0939(15) Uani 1 1 d . . .
O1 O 0.3609(7) 0.2122(10) 0.4588(9) 0.156(7) Uani 0.59(2) 1 d P A 1
O2 O 0.3208(6) 0.3656(17) 0.4836(6) 0.178(8) Uani 0.59(2) 1 d P A 1
O3 O 0.3778(15) 0.242(3) 0.5817(16) 0.191(14) Uani 0.59(2) 1 d P A 1
O4 O 0.4109(8) 0.376(2) 0.5310(16) 0.222(11) Uani 0.59(2) 1 d P A 1
Cl1 Cl 0.36910(7) 0.29320(17) 0.51510(10) 0.0989(5) Uani 0.59(2) 1 d P A 1
Cl1' Cl 0.36910(7) 0.29320(17) 0.51510(10) 0.0989(5) Uani 0.41(2) 1 d P A 2
O3' O 0.4057(10) 0.2009(18) 0.5203(14) 0.165(9) Uani 0.41(2) 1 d P A 2
O1' O 0.3183(7) 0.2536(19) 0.4559(10) 0.151(9) Uani 0.41(2) 1 d P A 2
O2' O 0.3809(8) 0.4111(15) 0.5046(9) 0.111(6) Uani 0.41(2) 1 d P A 2
O4' O 0.3694(19) 0.290(4) 0.584(3) 0.172(13) Uani 0.41(2) 1 d P A 2
O5 O 0.49904(12) 0.6777(3) 0.86344(16) 0.0584(7) Uani 1 1 d . . .
C1 C 0.8581(3) 0.0615(7) 0.8264(4) 0.105(2) Uani 1 1 d . . .
H1 H 0.8854 0.1085 0.8630 0.126 Uiso 1 1 calc R . .
C2 C 0.8064(2) 0.0797(6) 0.8116(3) 0.0829(16) Uani 1 1 d . . .
H2 H 0.7996 0.1392 0.8371 0.100 Uiso 1 1 calc R . .
C3 C 0.7658(2) 0.0095(5) 0.7593(3) 0.0691(13) Uani 1 1 d . . .
C4 C 0.7769(3) -0.0777(6) 0.7207(4) 0.0973(19) Uani 1 1 d . . .
H4 H 0.7504 -0.1272 0.6848 0.117 Uiso 1 1 calc R . .
C5 C 0.8305(4) -0.0866(7) 0.7391(5) 0.112(2) Uani 1 1 d . . .
H5 H 0.8389 -0.1429 0.7137 0.134 Uiso 1 1 calc R . .
C6 C 0.7101(2) 0.0260(5) 0.7426(3) 0.0760(15) Uani 1 1 d . . .
C7 C 0.7013(3) 0.0701(5) 0.7984(5) 0.096(2) Uani 1 1 d . . .
H7 H 0.7295 0.0882 0.8458 0.115 Uiso 1 1 calc R . .
C8 C 0.6485(4) 0.0858(7) 0.7801(7) 0.133(3) Uani 1 1 d . . .
H8 H 0.6418 0.1149 0.8162 0.160 Uiso 1 1 calc R . .
C9 C 0.6162(4) 0.0190(10) 0.6599(7) 0.152(4) Uani 1 1 d . . .
H9 H 0.5872 0.0026 0.6128 0.183 Uiso 1 1 calc R . .
C10 C 0.6675(2) -0.0006(7) 0.6730(4) 0.109(2) Uani 1 1 d . . .
H10 H 0.6727 -0.0307 0.6356 0.130 Uiso 1 1 calc R . .
C11 C 0.8381(2) 0.5863(7) 1.0055(4) 0.098(2) Uani 1 1 d . . .
H11 H 0.8575 0.5221 1.0362 0.118 Uiso 1 1 calc R . .
C12 C 0.78248(19) 0.5796(5) 0.9679(3) 0.0820(16) Uani 1 1 d . . .
H12 H 0.7659 0.5126 0.9742 0.098 Uiso 1 1 calc R . .
C13 C 0.75250(16) 0.6730(4) 0.9217(2) 0.0567(11) Uani 1 1 d . . .
C14 C 0.78018(19) 0.7710(6) 0.9150(3) 0.0813(15) Uani 1 1 d . . .
H14 H 0.7619 0.8363 0.8843 0.098 Uiso 1 1 calc R . .
C15 C 0.8359(2) 0.7688(7) 0.9555(4) 0.099(2) Uani 1 1 d . . .
H15 H 0.8539 0.8346 0.9511 0.119 Uiso 1 1 calc R . .
C16 C 0.69324(15) 0.6705(3) 0.8807(2) 0.0472(9) Uani 1 1 d . . .
C17 C 0.66575(15) 0.5939(4) 0.9011(2) 0.0529(10) Uani 1 1 d . . .
H17 H 0.6843 0.5412 0.9410 0.063 Uiso 1 1 calc R . .
C18 C 0.61083(15) 0.5948(3) 0.8627(2) 0.0473(9) Uani 1 1 d . . .
H18 H 0.5934 0.5418 0.8777 0.057 Uiso 1 1 calc R . .
C19 C 0.60774(14) 0.7431(3) 0.7842(2) 0.0472(9) Uani 1 1 d . . .
H19 H 0.5882 0.7944 0.7438 0.057 Uiso 1 1 calc R . .
C20 C 0.66269(15) 0.7467(4) 0.8203(2) 0.0523(10) Uani 1 1 d . . .
H20 H 0.6793 0.8001 0.8042 0.063 Uiso 1 1 calc R . .
C21 C 0.47464(14) 0.4247(3) 0.7778(2) 0.0405(8) Uani 1 1 d . . .
H21 H 0.4570 0.4674 0.7969 0.049 Uiso 1 1 calc R . .
C22 C 0.47394(15) 0.2993(3) 0.7789(2) 0.0420(8) Uani 1 1 d . . .
H22 H 0.4562 0.2586 0.7987 0.050 Uiso 1 1 calc R . .
C23 C 0.5000 0.2355(4) 0.7500 0.0343(10) Uani 1 2 d S . .
C24 C 0.5000 0.1012(4) 0.7500 0.0342(10) Uani 1 2 d S . .
C25 C 0.47349(14) 0.0372(3) 0.6838(2) 0.0423(8) Uani 1 1 d . . .
H25 H 0.4559 0.0778 0.6384 0.051 Uiso 1 1 calc R . .
C26 C 0.47351(14) -0.0880(3) 0.68611(19) 0.0414(8) Uani 1 1 d . . .
H26 H 0.4544 -0.1308 0.6417 0.050 Uiso 1 1 calc R . .
C27 C 0.51866(17) 0.6438(4) 0.9272(3) 0.0601(11) Uani 1 1 d . . .
H27 H 0.5369 0.5705 0.9398 0.072 Uiso 1 1 calc R . .
C28 C 0.4921(3) 0.8213(6) 0.9648(3) 0.098(2) Uani 1 1 d . . .
H28A H 0.5166 0.8803 0.9660 0.147 Uiso 1 1 calc R . .
H28B H 0.4835 0.8406 1.0022 0.147 Uiso 1 1 calc R . .
H28C H 0.4602 0.8219 0.9166 0.147 Uiso 1 1 calc R . .
C29 C 0.5414(3) 0.6564(6) 1.0556(3) 0.0973(19) Uani 1 1 d . . .
H29A H 0.5545 0.5759 1.0576 0.146 Uiso 1 1 calc R . .
H29B H 0.5158 0.6549 1.0712 0.146 Uiso 1 1 calc R . .
H29C H 0.5705 0.7084 1.0881 0.146 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
N5 Cu1 N6 180.000(2) . .
N5 Cu1 N4 90.20(7) . .
N6 Cu1 N4 89.80(8) . .
N5 Cu1 N4 90.20(8) . 2_656
N6 Cu1 N4 89.80(7) . 2_656
N4 Cu1 N4 179.60(15) . 2_656
N5 Cu1 O5 92.60(7) . 2_656
N6 Cu1 O5 87.40(7) . 2_656
N4 Cu1 O5 87.24(12) . 2_656
N4 Cu1 O5 92.75(12) 2_656 2_656
N5 Cu1 O5 92.60(7) . .
N6 Cu1 O5 87.40(7) . .
N4 Cu1 O5 92.75(12) . .
N4 Cu1 O5 87.24(12) 2_656 .
O5 Cu1 O5 174.80(14) 2_656 .
C1 N1 C5 118.6(6) . .
C9 N2 C8 119.7(8) . .
C11 N3 C15 116.8(5) . .
C18 N4 C19 117.3(3) . .
C18 N4 Cu1 121.7(2) . .
C19 N4 Cu1 121.0(2) . .
C21 N5 C21 119.0(4) 2_656 .
C21 N5 Cu1 120.5(2) 2_656 .
C21 N5 Cu1 120.5(2) . .
C26 N6 C26 118.8(4) 1_565 2_666
C26 N6 Cu1 120.6(2) 1_565 .
C26 N6 Cu1 120.6(2) 2_666 .
C27 N7 C28 120.1(5) . .
C27 N7 C29 122.2(5) . .
C28 N7 C29 117.5(5) . .
O1 Cl1 O3 116.2(16) . .
O1 Cl1 O4 111.2(11) . .
O3 Cl1 O4 109(2) . .
O1 Cl1 O2 105.3(9) . .
O3 Cl1 O2 108.2(15) . .
O4 Cl1 O2 105.8(12) . .
C27 O5 Cu1 147.1(3) . .
N1 C1 C2 122.8(8) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C3 C2 C1 119.6(6) . .
C3 C2 H2 120.2 . .
C1 C2 H2 120.2 . .
C2 C3 C4 119.1(5) . .
C2 C3 C6 121.0(5) . .
C4 C3 C6 119.9(6) . .
C3 C4 C5 116.4(7) . .
C3 C4 H4 121.8 . .
C5 C4 H4 121.8 . .
N1 C5 C4 123.4(7) . .
N1 C5 H5 118.3 . .
C4 C5 H5 118.3 . .
C10 C6 C7 119.9(6) . .
C10 C6 C3 120.6(6) . .
C7 C6 C3 119.6(6) . .
C8 C7 C6 117.7(8) . .
C8 C7 H7 121.1 . .
C6 C7 H7 121.1 . .
N2 C8 C7 122.0(10) . .
N2 C8 H8 119.0 . .
C7 C8 H8 119.0 . .
N2 C9 C10 122.6(11) . .
N2 C9 H9 118.7 . .
C10 C9 H9 118.7 . .
C6 C10 C9 118.2(9) . .
C6 C10 H10 120.9 . .
C9 C10 H10 120.9 . .
N3 C11 C12 124.2(6) . .
N3 C11 H11 117.9 . .
C12 C11 H11 117.9 . .
C13 C12 C11 119.5(6) . .
C13 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
C12 C13 C14 117.1(4) . .
C12 C13 C16 121.6(4) . .
C14 C13 C16 121.4(4) . .
C15 C14 C13 118.7(6) . .
C15 C14 H14 120.6 . .
C13 C14 H14 120.6 . .
N3 C15 C14 123.7(6) . .
N3 C15 H15 118.1 . .
C14 C15 H15 118.1 . .
C17 C16 C20 116.5(3) . .
C17 C16 C13 121.8(4) . .
C20 C16 C13 121.7(4) . .
C16 C17 C18 120.5(4) . .
C16 C17 H17 119.7 . .
C18 C17 H17 119.7 . .
N4 C18 C17 122.9(4) . .
N4 C18 H18 118.5 . .
C17 C18 H18 118.5 . .
N4 C19 C20 122.7(3) . .
N4 C19 H19 118.7 . .
C20 C19 H19 118.7 . .
C19 C20 C16 120.1(4) . .
C19 C20 H20 119.9 . .
C16 C20 H20 119.9 . .
N5 C21 C22 122.0(3) . .
N5 C21 H21 119.0 . .
C22 C21 H21 119.0 . .
C21 C22 C23 119.1(3) . .
C21 C22 H22 120.5 . .
C23 C22 H22 120.5 . .
C22 C23 C22 118.8(4) 2_656 .
C22 C23 C24 120.6(2) 2_656 .
C22 C23 C24 120.6(2) . .
C25 C24 C25 118.6(4) . 2_656
C25 C24 C23 120.7(2) . .
C25 C24 C23 120.7(2) 2_656 .
C26 C25 C24 119.0(3) . .
C26 C25 H25 120.5 . .
C24 C25 H25 120.5 . .
N6 C26 C25 122.3(3) 1_545 .
N6 C26 H26 118.9 1_545 .
C25 C26 H26 118.9 . .
O5 C27 N7 125.1(5) . .
O5 C27 H27 117.5 . .
N7 C27 H27 117.5 . .
N7 C28 H28A 109.5 . .
N7 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
N7 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N7 C29 H29A 109.5 . .
N7 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N7 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N5 2.004(4) .
Cu1 N6 2.014(4) .
Cu1 N4 2.051(3) .
Cu1 N4 2.051(3) 2_656
Cu1 O5 2.391(3) 2_656
Cu1 O5 2.391(3) .
N1 C1 1.299(9) .
N1 C5 1.339(10) .
N2 C9 1.324(15) .
N2 C8 1.342(14) .
N3 C11 1.312(9) .
N3 C15 1.335(9) .
N4 C18 1.339(5) .
N4 C19 1.342(5) .
N5 C21 1.341(4) 2_656
N5 C21 1.341(4) .
N6 C26 1.336(4) 1_565
N6 C26 1.336(4) 2_666
N7 C27 1.301(7) .
N7 C28 1.451(8) .
N7 C29 1.459(7) .
O1 Cl1 1.398(10) .
O2 Cl1 1.455(11) .
O3 Cl1 1.40(3) .
O4 Cl1 1.424(17) .
O5 C27 1.208(5) .
C1 C2 1.394(8) .
C1 H1 0.9300 .
C2 C3 1.369(8) .
C2 H2 0.9300 .
C3 C4 1.399(8) .
C3 C6 1.494(7) .
C4 C5 1.415(10) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C10 1.378(9) .
C6 C7 1.406(8) .
C7 C8 1.399(9) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C10 1.400(11) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.401(7) .
C11 H11 0.9300 .
C12 C13 1.378(7) .
C12 H12 0.9300 .
C13 C14 1.401(7) .
C13 C16 1.490(5) .
C14 C15 1.400(7) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.378(6) .
C16 C20 1.395(5) .
C17 C18 1.380(5) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.384(5) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.384(5) .
C21 H21 0.9300 .
C22 C23 1.385(4) .
C22 H22 0.9300 .
C23 C22 1.385(4) 2_656
C23 C24 1.483(6) .
C24 C25 1.384(4) .
C24 C25 1.384(4) 2_656
C25 C26 1.384(5) .
C25 H25 0.9300 .
C26 N6 1.336(4) 1_545
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
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
C17 H17 O2 0.93 2.55 3.370(15) 146.8 2_656
C21 H21 N1 0.93 2.50 3.291(6) 142.5 3_455
C26 H26 O5 0.93 2.55 3.045(5) 113.8 2_646
C27 H27 O4 0.93 2.52 3.451(19) 176.1 2_656
