#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/24/06/2240670.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_2240670
loop_
_publ_author_name
'Wang, Weilun'
'Ran, Jingwen'
_publ_section_title
;
 Crystal structure of
 tetrakis(μ₃-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II)
 ethanol monosolvate 2.5-hydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m116
_journal_page_last               m117
_journal_paper_doi               10.1107/S2056989015007513
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Cu4 (C11 H13 N1 O4)4], C2 H6 O, 2.5H2 O'
_chemical_formula_moiety         'C44 H52 Cu4 N4 O16, C2 H6 O, 2.5(H2 O)'
_chemical_formula_sum            'C46 H63 Cu4 N4 O19.5'
_chemical_formula_weight         1238.16
_chemical_name_systematic
'Tetrakis(μ₃-2-{[1,1-bis(hydroxymethyl)-2-oxoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate'
_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   mixed
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 129.584(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.651(8)
_cell_length_b                   16.395(5)
_cell_length_c                   18.423(6)
_cell_measurement_reflns_used    4536
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.54
_cell_measurement_theta_min      2.234
_cell_volume                     5738(3)
_computing_cell_refinement
;
SMART (Siemens, 1994)
;
_computing_data_collection
;
SMART (Siemens, 1994)
;
_computing_data_reduction
;
SAINT (Siemens, 1994)
;
_computing_molecular_graphics
;
SHELXTL (Siemens, 1994)
;
_computing_publication_material
;
SHELXTL (Siemens, 1994)
;
_computing_structure_refinement
;
SHELXL2013 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_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  0.0707
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16163
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.641
_exptl_absorpt_coefficient_mu    1.534
_exptl_absorpt_correction_T_max  0.8141
_exptl_absorpt_correction_T_min  0.5936
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Siemens, 1994)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_description       block
_exptl_crystal_F_000             2552
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.394
_refine_diff_density_min         -0.516
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.255
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         5872
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.247
_refine_ls_R_factor_all          0.1035
_refine_ls_R_factor_gt           0.0578
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0727P)²+11.6375P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1590
_refine_ls_wR_factor_ref         0.1878
_reflns_number_gt                3880
_reflns_number_total             5872
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bg2551sup1.cf
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2240670
_cod_database_fobs_code          2240670
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2014/6
#END Tags that were not found in dictionaries
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_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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu1 0.08791(3) 0.48191(4) 0.34803(5) 0.0293(2) Uani d 1 . .
Cu Cu2 -0.01820(3) 0.35451(4) 0.32582(4) 0.0285(2) Uani d 1 . .
N N1 0.0942(2) 0.5886(3) 0.3980(3) 0.0283(10) Uani d 1 . .
N N2 -0.0725(2) 0.2569(3) 0.2943(3) 0.0311(10) Uani d 1 . .
O O1 0.1630(2) 0.4990(2) 0.3454(3) 0.0421(10) Uani d 1 . .
O O2 0.00633(18) 0.4701(2) 0.3401(2) 0.0274(8) Uani d 1 . .
O O3 0.1445(2) 0.5896(3) 0.5842(3) 0.0431(10) Uani d 1 . .
H H3 0.1475 0.5826 0.6307 0.065 Uiso d 1 . .
O O4 0.0068(3) 0.7335(3) 0.3315(4) 0.0668(14) Uani d 1 . .
H H4 0.0380 0.7263 0.3279 0.100 Uiso d 1 . .
O O5 0.05125(19) 0.3281(2) 0.4566(3) 0.0352(9) Uani d 1 . .
O O6 0.07677(18) 0.3689(2) 0.3098(2) 0.0288(8) Uani d 1 . .
O O7 -0.2014(2) 0.1378(3) 0.1896(3) 0.0559(13) Uani d 1 . .
H H7 -0.2343 0.1085 0.1490 0.084 Uiso d 1 . .
O O8 -0.1622(2) 0.3852(3) 0.2567(3) 0.0437(10) Uani d 1 . .
H H8 -0.1685 0.4202 0.2203 0.066 Uiso d 1 . .
O O9 0.1703(2) 0.4295(3) 0.5413(3) 0.0517(12) Uani d 1 . .
H H25 0.1637 0.4672 0.5641 0.077 Uiso d 1 . .
H H26 0.1480 0.3891 0.5354 0.077 Uiso d 1 . .
C C1 0.1359(3) 0.6463(3) 0.4117(4) 0.0338(13) Uani d 1 . .
H H1 0.1373 0.6938 0.4404 0.041 Uiso calc 1 . .
C C2 0.1799(3) 0.6426(4) 0.3860(4) 0.0351(13) Uani d 1 . .
C C3 0.1902(3) 0.5706(4) 0.3526(4) 0.0374(14) Uani d 1 . .
C C4 0.2337(4) 0.5775(4) 0.3272(5) 0.0548(18) Uani d 1 . .
H H4A 0.2417 0.5317 0.3054 0.066 Uiso calc 1 . .
C C5 0.2641(4) 0.6503(5) 0.3342(5) 0.063(2) Uani d 1 . .
H H5 0.2927 0.6527 0.3176 0.076 Uiso calc 1 . .
C C6 0.2532(4) 0.7202(5) 0.3653(5) 0.0540(18) Uani d 1 . .
H H6 0.2735 0.7694 0.3687 0.065 Uiso calc 1 . .
C C7 0.2118(3) 0.7157(4) 0.3912(4) 0.0434(15) Uani d 1 . .
H H7A 0.2047 0.7625 0.4127 0.052 Uiso calc 1 . .
C C8 0.0459(3) 0.6023(3) 0.4181(4) 0.0295(12) Uani d 1 . .
C C9 0.0123(3) 0.5188(3) 0.4082(4) 0.0302(12) Uani d 1 . .
H H9A 0.0412 0.4909 0.4684 0.036 Uiso calc 1 . .
H H9B -0.0339 0.5273 0.3897 0.036 Uiso calc 1 . .
C C10 0.0834(3) 0.6367(3) 0.5163(4) 0.0345(13) Uani d 1 . .
H H10A 0.0967 0.6929 0.5187 0.041 Uiso calc 1 . .
H H10B 0.0518 0.6358 0.5309 0.041 Uiso calc 1 . .
C C11 -0.0139(3) 0.6587(4) 0.3433(4) 0.0394(14) Uani d 1 . .
H H11A -0.0422 0.6301 0.2835 0.047 Uiso calc 1 . .
H H11B -0.0438 0.6693 0.3595 0.047 Uiso calc 1 . .
C C12 -0.0555(3) 0.1969(4) 0.3501(4) 0.0424(15) Uani d 1 . .
H H12 -0.0872 0.1538 0.3270 0.051 Uiso calc 1 . .
C C13 0.0094(3) 0.1915(4) 0.4464(4) 0.0431(15) Uani d 1 . .
C C14 0.0587(3) 0.2560(3) 0.4948(4) 0.0321(12) Uani d 1 . .
C C15 0.1180(3) 0.2426(4) 0.5885(4) 0.0451(15) Uani d 1 . .
H H15 0.1515 0.2836 0.6217 0.054 Uiso calc 1 . .
C C16 0.1276(4) 0.1699(5) 0.6327(5) 0.061(2) Uani d 1 . .
H H16 0.1673 0.1629 0.6954 0.073 Uiso calc 1 . .
C C17 0.0800(5) 0.1079(5) 0.5863(6) 0.086(3) Uani d 1 . .
H H17 0.0874 0.0588 0.6166 0.103 Uiso calc 1 . .
C C18 0.0216(5) 0.1191(5) 0.4954(5) 0.075(3) Uani d 1 . .
H H18 -0.0114 0.0773 0.4644 0.090 Uiso calc 1 . .
C C19 -0.1419(3) 0.2622(3) 0.1992(4) 0.0309(12) Uani d 1 . .
C C20 0.1297(3) 0.3087(4) 0.3618(4) 0.0345(13) Uani d 1 . .
H H20A 0.1161 0.2703 0.3878 0.041 Uiso calc 1 . .
H H20B 0.1733 0.3344 0.4140 0.041 Uiso calc 1 . .
C C21 -0.1754(3) 0.1801(4) 0.1510(4) 0.0435(15) Uani d 1 . .
H H21A -0.2136 0.1894 0.0845 0.052 Uiso calc 1 . .
H H21B -0.1405 0.1465 0.1565 0.052 Uiso calc 1 . .
C C22 -0.1909(3) 0.3110(4) 0.2085(4) 0.0407(14) Uani d 1 . .
H H22A -0.2348 0.3220 0.1460 0.049 Uiso calc 1 . .
H H22B -0.2018 0.2777 0.2413 0.049 Uiso calc 1 . .
O O11 0.0841(13) 0.8666(13) 0.4287(16) 0.092(4) Uani d 0.25 A 1
H H11 0.0491 0.8580 0.3740 0.137 Uiso d 0.25 A 1
C C23 0.1211(18) 0.938(2) 0.4354(19) 0.092(4) Uani d 0.25 A 1
H H23A 0.1688 0.9237 0.4627 0.110 Uiso calc 0.25 A 1
H H23B 0.1236 0.9779 0.4767 0.110 Uiso calc 0.25 A 1
C C24 0.0846(18) 0.977(2) 0.340(2) 0.091(4) Uani d 0.25 A 1
H H24A 0.1103 1.0241 0.3464 0.136 Uiso calc 0.25 A 1
H H24B 0.0828 0.9380 0.2991 0.136 Uiso calc 0.25 A 1
H H24C 0.0377 0.9921 0.3130 0.136 Uiso calc 0.25 A 1
O O11' 0.1340(13) 1.0138(14) 0.4583(16) 0.091(4) Uani d 0.25 B 2
H H11' 0.1744 1.0316 0.4929 0.137 Uiso d 0.25 B 2
C C23' 0.1296(19) 0.9486(19) 0.403(3) 0.092(4) Uani d 0.25 B 2
H H23C 0.1450 0.8989 0.4396 0.110 Uiso calc 0.25 B 2
H H23D 0.0804 0.9413 0.3481 0.110 Uiso calc 0.25 B 2
C C24' 0.1686(18) 0.957(2) 0.370(2) 0.091(4) Uani d 0.25 B 2
H H24D 0.1612 0.9095 0.3337 0.137 Uiso calc 0.25 B 2
H H24E 0.1530 1.0045 0.3308 0.137 Uiso calc 0.25 B 2
H H24F 0.2179 0.9619 0.4226 0.137 Uiso calc 0.25 B 2
O O1W 0.0000 1.0641(15) 0.2500 0.139(8) Uiso d 0.5 C 3
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Cu1 O2 . . 174.79(17)
O1 Cu1 N1 . . 95.44(17)
O2 Cu1 N1 . . 83.71(16)
O1 Cu1 O6 . . 92.64(16)
O2 Cu1 O6 . . 88.70(14)
N1 Cu1 O6 . . 170.43(17)
O5 Cu2 N2 . . 94.79(17)
O5 Cu2 O6 . 2 168.55(16)
N2 Cu2 O6 . 2 84.78(16)
O5 Cu2 O2 . . 95.65(15)
N2 Cu2 O2 . . 160.56(17)
O6 Cu2 O2 2 . 88.17(14)
C1 N1 C8 . . 120.5(5)
C1 N1 Cu1 . . 124.4(4)
C8 N1 Cu1 . . 115.2(3)
C12 N2 C19 . . 122.3(5)
C12 N2 Cu2 . . 125.9(4)
C19 N2 Cu2 . . 111.5(3)
C3 O1 Cu1 . . 124.8(4)
C9 O2 Cu1 . . 111.2(3)
C9 O2 Cu2 . . 121.0(3)
Cu1 O2 Cu2 . . 108.99(17)
C10 O3 H3 . . 109.5
C11 O4 H4 . . 109.9
C14 O5 Cu2 . . 125.4(3)
C20 O6 Cu1 . . 124.4(3)
C20 O6 Cu2 . 2 113.3(3)
Cu1 O6 Cu2 . 2 113.58(17)
C21 O7 H7 . . 109.3
C22 O8 H8 . . 109.5
H25 O9 H26 . . 110.0
N1 C1 C2 . . 125.2(5)
N1 C1 H1 . . 117.4
C2 C1 H1 . . 117.4
C7 C2 C3 . . 119.4(5)
C7 C2 C1 . . 116.8(5)
C3 C2 C1 . . 123.8(5)
O1 C3 C4 . . 118.8(5)
O1 C3 C2 . . 124.1(5)
C4 C3 C2 . . 117.1(5)
C5 C4 C3 . . 121.3(6)
C5 C4 H4A . . 119.4
C3 C4 H4A . . 119.4
C4 C5 C6 . . 121.4(6)
C4 C5 H5 . . 119.3
C6 C5 H5 . . 119.3
C7 C6 C5 . . 118.9(6)
C7 C6 H6 . . 120.6
C5 C6 H6 . . 120.6
C6 C7 C2 . . 122.0(6)
C6 C7 H7A . . 119.0
C2 C7 H7A . . 119.0
N1 C8 C10 . . 112.3(4)
N1 C8 C11 . . 109.6(4)
C10 C8 C11 . . 110.8(4)
N1 C8 C9 . . 107.0(4)
C10 C8 C9 . . 110.0(4)
C11 C8 C9 . . 107.0(4)
O2 C9 C8 . . 110.5(4)
O2 C9 H9A . . 109.6
C8 C9 H9A . . 109.6
O2 C9 H9B . . 109.6
C8 C9 H9B . . 109.6
H9A C9 H9B . . 108.1
O3 C10 C8 . . 110.1(4)
O3 C10 H10A . . 109.6
C8 C10 H10A . . 109.6
O3 C10 H10B . . 109.6
C8 C10 H10B . . 109.6
H10A C10 H10B . . 108.2
O4 C11 C8 . . 115.6(5)
O4 C11 H11A . . 108.4
C8 C11 H11A . . 108.4
O4 C11 H11B . . 108.4
C8 C11 H11B . . 108.4
H11A C11 H11B . . 107.4
N2 C12 C13 . . 124.7(5)
N2 C12 H12 . . 117.7
C13 C12 H12 . . 117.7
C18 C13 C14 . . 118.7(6)
C18 C13 C12 . . 117.1(6)
C14 C13 C12 . . 124.1(5)
O5 C14 C15 . . 118.5(5)
O5 C14 C13 . . 123.9(5)
C15 C14 C13 . . 117.6(5)
C16 C15 C14 . . 121.2(6)
C16 C15 H15 . . 119.4
C14 C15 H15 . . 119.4
C17 C16 C15 . . 121.3(7)
C17 C16 H16 . . 119.3
C15 C16 H16 . . 119.3
C18 C17 C16 . . 119.0(7)
C18 C17 H17 . . 120.5
C16 C17 H17 . . 120.5
C17 C18 C13 . . 122.2(7)
C17 C18 H18 . . 118.9
C13 C18 H18 . . 118.9
N2 C19 C21 . . 115.1(5)
N2 C19 C20 . 2 106.1(4)
C21 C19 C20 . 2 107.1(4)
N2 C19 C22 . . 107.2(4)
C21 C19 C22 . . 110.5(5)
C20 C19 C22 2 . 110.8(5)
O6 C20 C19 . 2 112.0(4)
O6 C20 H20A . . 109.2
C19 C20 H20A 2 . 109.2
O6 C20 H20B . . 109.2
C19 C20 H20B 2 . 109.2
H20A C20 H20B . . 107.9
O7 C21 C19 . . 113.0(5)
O7 C21 H21A . . 109.0
C19 C21 H21A . . 109.0
O7 C21 H21B . . 109.0
C19 C21 H21B . . 109.0
H21A C21 H21B . . 107.8
O8 C22 C19 . . 113.8(4)
O8 C22 H22A . . 108.8
C19 C22 H22A . . 108.8
O8 C22 H22B . . 108.8
C19 C22 H22B . . 108.8
H22A C22 H22B . . 107.7
C23 O11 H11 . . 110.8
O11 C23 C24 . . 111.4(18)
O11 C23 H23A . . 109.4
C24 C23 H23A . . 109.4
O11 C23 H23B . . 109.4
C24 C23 H23B . . 109.4
H23A C23 H23B . . 108.0
C23 C24 H24A . . 109.5
C23 C24 H24B . . 109.5
H24A C24 H24B . . 109.5
C23 C24 H24C . . 109.5
H24A C24 H24C . . 109.5
H24B C24 H24C . . 109.5
C23' O11' H11' . . 108.8
C24' C23' O11' . . 118(2)
C24' C23' H23C . . 107.9
O11' C23' H23C . . 107.9
C24' C23' H23D . . 107.9
O11' C23' H23D . . 107.9
H23C C23' H23D . . 107.2
C23' C24' H24D . . 109.5
C23' C24' H24E . . 109.5
H24D C24' H24E . . 109.5
C23' C24' H24F . . 109.5
H24D C24' H24F . . 109.5
H24E C24' H24F . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cu1 O1 . 1.902(4)
Cu1 O2 . 1.931(4)
Cu1 N1 . 1.936(4)
Cu1 O6 . 1.939(3)
Cu2 O5 . 1.915(4)
Cu2 N2 . 1.924(4)
Cu2 O6 2 1.945(4)
Cu2 O2 . 1.955(4)
N1 C1 . 1.298(7)
N1 C8 . 1.473(6)
N2 C12 . 1.285(7)
N2 C19 . 1.478(7)
O1 C3 . 1.317(7)
O2 C9 . 1.413(6)
O3 C10 . 1.425(7)
O3 H3 . 0.8200
O4 C11 . 1.398(7)
O4 H4 . 0.8200
O5 C14 . 1.328(6)
O6 C20 . 1.414(6)
O6 Cu2 2 1.945(4)
O7 C21 . 1.408(7)
O7 H7 . 0.8200
O8 C22 . 1.403(7)
O8 H8 . 0.8200
O9 H25 . 0.8200
O9 H26 . 0.8215
C1 C2 . 1.436(8)
C1 H1 . 0.9300
C2 C7 . 1.402(8)
C2 C3 . 1.427(8)
C3 C4 . 1.422(8)
C4 C5 . 1.371(10)
C4 H4A . 0.9300
C5 C6 . 1.383(10)
C5 H5 . 0.9300
C6 C7 . 1.376(9)
C6 H6 . 0.9300
C7 H7A . 0.9300
C8 C10 . 1.522(7)
C8 C11 . 1.528(8)
C8 C9 . 1.549(7)
C9 H9A . 0.9700
C9 H9B . 0.9700
C10 H10A . 0.9700
C10 H10B . 0.9700
C11 H11A . 0.9700
C11 H11B . 0.9700
C12 C13 . 1.448(8)
C12 H12 . 0.9300
C13 C18 . 1.402(9)
C13 C14 . 1.417(8)
C14 C15 . 1.395(8)
C15 C16 . 1.376(9)
C15 H15 . 0.9300
C16 C17 . 1.365(10)
C16 H16 . 0.9300
C17 C18 . 1.356(10)
C17 H17 . 0.9300
C18 H18 . 0.9300
C19 C21 . 1.532(8)
C19 C20 2 1.540(7)
C19 C22 . 1.546(8)
C20 C19 2 1.540(7)
C20 H20A . 0.9700
C20 H20B . 0.9700
C21 H21A . 0.9700
C21 H21B . 0.9700
C22 H22A . 0.9700
C22 H22B . 0.9700
O11 C23 . 1.446(19)
O11 H11 . 0.8200
C23 C24 . 1.512(18)
C23 H23A . 0.9700
C23 H23B . 0.9700
C24 H24A . 0.9600
C24 H24B . 0.9600
C24 H24C . 0.9600
O11' C23' . 1.437(19)
O11' H11' . 0.8200
C23' C24' . 1.433(19)
C23' H23C . 0.9700
C23' H23D . 0.9700
C24' H24D . 0.9600
C24' H24E . 0.9600
C24' H24F . 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
O3 H3 O8 5_566 0.82 1.94 2.706(6) 155.7
O7 H7 O9 8_455 0.82 1.98 2.769(6) 161.9
O8 H8 O1 2 0.82 1.83 2.641(6) 168.3
O9 H25 O3 . 0.82 2.15 2.925(6) 158.6
O9 H26 O5 . 0.82 2.09 2.824(6) 147.9
C12 H12 O7 . 0.93 2.31 3.011(7) 132.1
