##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2012-05-16
_journal_date_accepted     2012-06-05
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2012
_journal_volume     68
_journal_issue      7
_journal_page_first     m906
_journal_page_last     m906
_journal_paper_category     QM
_journal_paper_doi     10.1107/S1600536812025676
_journal_coeditor_code     RK2363
_publ_contact_author_name     'Wei Xu'
_publ_contact_author_address
;
      Center of Applied Solid State Chemistry Research
      Ningbo University
      Ningbo 315211
      People's Republic of China
;
_publ_contact_author_email     'xuwei@nbu.edu.cn'
_publ_contact_author_fax     '86 574 87600792'
_publ_contact_author_phone     '86 574 87600792'
_publ_section_title
;\
Di-μ-adipato-κ⁴O¹:O⁶-bis{aqua[5,6-diphenyl-3-(pyridin-2-\
yl)-1,2,4-triazine-κ²N²,N³]copper(II)}
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Wei Xu' ?
;
      Center of Applied Solid State Chemistry Research
      Ningbo University
      Ningbo 315211
      People's Republic of China
;
    'Jin--Li Qi' ?
;
      Center of Applied Solid State Chemistry Research
      Ningbo University
      Ningbo 315211
      People's Republic of China
;
data_I
_audit_creation_method     'SHELXL97'
_chemical_name_systematic
;
Di-μ-adipato-κ⁴O¹:O⁶-bis{aqua[5,6-diphenyl-3-(pyridin-2-
yl)-1,2,4-triazine-κ²N²,N³]copper(II)}
;
_chemical_name_common     ?
_chemical_formula_moiety     'C52 H48 Cu2 N8 O10'
_chemical_formula_sum     'C52 H48 Cu2 N8 O10'
_chemical_formula_iupac     '[Cu2 (C6 H8 O4)2 (C20 H14 N4)2 (H2 O)2]'
_chemical_formula_weight     1072.08
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.4825(19)
_cell_length_b     10.616(2)
_cell_length_c     13.080(3)
_cell_angle_alpha     78.96(3)
_cell_angle_beta     68.76(3)
_cell_angle_gamma     76.85(3)
_cell_volume     1186.4(5)
_cell_formula_units_Z     1
_cell_measurement_reflns_used     8025
_cell_measurement_theta_min     3.3
_cell_measurement_theta_max     27.5
_cell_measurement_temperature     295(2)
_exptl_crystal_description     'plate'
_exptl_crystal_colour     'brown'
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.19
_exptl_crystal_size_min     0.11
_exptl_crystal_density_diffrn     1.501
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     554
_exptl_absorpt_coefficient_mu     0.967
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(ABSCOR; Higashi, 1995)'
_exptl_absorpt_correction_T_min     0.756
_exptl_absorpt_correction_T_max     0.863
_exptl_special_details     ?
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     'graphite'
_diffrn_measurement_device_type     'Rigaku R-AXIS RAPID CCD'
_diffrn_measurement_method     'ω--scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     11646
_diffrn_reflns_av_R_equivalents     0.0613
_diffrn_reflns_av_sigmaI/netI     0.0817
_diffrn_reflns_theta_min     3.31
_diffrn_reflns_theta_max     27.48
_diffrn_reflns_theta_full     27.48
_diffrn_measured_fraction_theta_max     0.974
_diffrn_measured_fraction_theta_full     0.974
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     ?
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F² against ALL reflections. The weighted
 R--factor wR and goodness of fit S are based on
 F², conventional R--factors R are based on F,
 with F set to zero for negative F². The threshold expression
 of F² > 2σ(F²) is used only for calculating
 R--factors(gt) etc. and is not relevant to the choice of reflections
 for refinement. R--factors based on F² are statistically about
 twice as large as those based on F, and R--factors based on ALL
 data will be even larger.
;
_reflns_number_total     5295
_reflns_number_gt     3207
_reflns_threshold_expression     >2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1120
_refine_ls_R_factor_gt     0.0568
_refine_ls_wR_factor_gt     0.1124
_refine_ls_wR_factor_ref     0.1349
_refine_ls_goodness_of_fit_ref     1.018
_refine_ls_restrained_S_all     1.017
_refine_ls_number_reflns     5295
_refine_ls_number_parameters     333
_refine_ls_number_restraints     3
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0516P)²+0.8435P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.611
_refine_diff_density_min     -0.513
_refine_ls_extinction_method     'none'
_refine_ls_extinction_coef     ?
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'
_computing_data_collection     'RAPID-AUTO (Rigaku, 1998)'
_computing_cell_refinement     'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction     'CrystalStructure (Rigaku/MSC, 2004)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL  (Sheldrick, 2008)'
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
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_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Cu Cu1 0.24237(6) 0.28612(5) 0.46540(4) 0.03879(17) Uani d . 1 1 . .
    N N1 0.4452(4) 0.2512(3) 0.4938(3) 0.0374(8) Uani d . 1 1 . .
    N N2 0.3453(3) 0.4301(3) 0.3587(3) 0.0333(7) Uani d . 1 1 . .
    N N3 0.5595(3) 0.5336(3) 0.3071(3) 0.0343(7) Uani d . 1 1 . .
    N N4 0.3041(3) 0.4987(3) 0.2743(3) 0.0355(7) Uani d . 1 1 . .
    O O1 0.0833(3) 0.3122(3) 0.3970(2) 0.0390(6) Uani d . 1 1 . .
    O O2 0.2814(3) 0.1907(3) 0.2883(3) 0.0488(7) Uani d . 1 1 . .
    O O3 0.0418(3) -0.2164(3) 0.3245(3) 0.0570(8) Uani d . 1 1 . .
    O O4 -0.1845(3) -0.1321(3) 0.4379(3) 0.0488(8) Uani d . 1 1 . .
    O O5 0.0969(3) 0.4299(3) 0.5999(3) 0.0495(8) Uani d D 1 1 . .
    H H5A 0.042(4) 0.375(3) 0.634(4) 0.074 Uiso d D 1 1 . .
    H H5B 0.040(4) 0.501(2) 0.593(4) 0.074 Uiso d D 1 1 . .
    C C1 0.4946(5) 0.1514(4) 0.5589(3) 0.0436(10) Uani d . 1 1 . .
    H H1A 0.4325 0.0892 0.5955 0.052 Uiso calc R 1 1 . .
    C C2 0.6347(5) 0.1373(4) 0.5739(3) 0.0460(11) Uani d . 1 1 . .
    H H2A 0.6684 0.0647 0.6170 0.055 Uiso calc R 1 1 . .
    C C3 0.7228(5) 0.2320(4) 0.5244(4) 0.0471(11) Uani d . 1 1 . .
    H H3A 0.8152 0.2262 0.5362 0.057 Uiso calc R 1 1 . .
    C C4 0.6740(4) 0.3366(4) 0.4566(3) 0.0404(9) Uani d . 1 1 . .
    H H4A 0.7322 0.4020 0.4221 0.048 Uiso calc R 1 1 . .
    C C5 0.5364(4) 0.3401(4) 0.4422(3) 0.0333(8) Uani d . 1 1 . .
    C C6 0.7323(4) 0.7259(4) 0.1838(4) 0.0414(10) Uani d . 1 1 . .
    H H6A 0.7876 0.6483 0.2068 0.050 Uiso calc R 1 1 . .
    C C7 0.7968(5) 0.8365(4) 0.1501(4) 0.0495(11) Uani d . 1 1 . .
    H H7A 0.8964 0.8330 0.1486 0.059 Uiso calc R 1 1 . .
    C C8 0.7152(5) 0.9530(4) 0.1183(4) 0.0520(12) Uani d . 1 1 . .
    H H8A 0.7591 1.0279 0.0959 0.062 Uiso calc R 1 1 . .
    C C9 0.5676(5) 0.9572(4) 0.1200(4) 0.0497(11) Uani d . 1 1 . .
    H H9A 0.5117 1.0358 0.0996 0.060 Uiso calc R 1 1 . .
    C C10 0.5033(5) 0.8481(4) 0.1509(4) 0.0419(10) Uani d . 1 1 . .
    H H10A 0.4046 0.8525 0.1502 0.050 Uiso calc R 1 1 . .
    C C11 0.5839(4) 0.7290(3) 0.1840(3) 0.0331(8) Uani d . 1 1 . .
    C C12 0.2046(4) 0.6241(4) 0.1017(4) 0.0423(10) Uani d . 1 1 . .
    H H12A 0.1287 0.6023 0.1676 0.051 Uiso calc R 1 1 . .
    C C13 0.1724(5) 0.6510(4) 0.0040(4) 0.0492(11) Uani d . 1 1 . .
    H H13A 0.0761 0.6445 0.0043 0.059 Uiso calc R 1 1 . .
    C C14 0.2816(5) 0.6872(4) -0.0934(4) 0.0510(11) Uani d . 1 1 . .
    H H14A 0.2587 0.7071 -0.1586 0.061 Uiso calc R 1 1 . .
    C C15 0.4258(5) 0.6942(4) -0.0942(3) 0.0444(10) Uani d . 1 1 . .
    H H15A 0.4999 0.7191 -0.1601 0.053 Uiso calc R 1 1 . .
    C C16 0.4600(5) 0.6642(4) 0.0026(3) 0.0379(9) Uani d . 1 1 . .
    H H16A 0.5579 0.6675 0.0011 0.045 Uiso calc R 1 1 . .
    C C17 0.3498(4) 0.6293(3) 0.1022(3) 0.0323(8) Uani d . 1 1 . .
    C C18 0.4794(4) 0.4412(3) 0.3645(3) 0.0308(8) Uani d . 1 1 . .
    C C19 0.5105(4) 0.6140(3) 0.2307(3) 0.0320(8) Uani d . 1 1 . .
    C C20 0.3880(4) 0.5838(3) 0.2046(3) 0.0322(8) Uani d . 1 1 . .
    C C21 0.1506(4) 0.2554(4) 0.3093(3) 0.0363(9) Uani d . 1 1 . .
    C C22 0.0629(5) 0.2733(4) 0.2294(4) 0.0424(10) Uani d . 1 1 . .
    H H22A -0.0456 0.2783 0.2717 0.051 Uiso calc R 1 1 . .
    H H22B 0.0762 0.3559 0.1834 0.051 Uiso calc R 1 1 . .
    C C23 0.1097(5) 0.1676(4) 0.1553(3) 0.0441(10) Uani d . 1 1 . .
    H H23A 0.2148 0.1694 0.1071 0.053 Uiso calc R 1 1 . .
    H H23B 0.0456 0.1878 0.1090 0.053 Uiso calc R 1 1 . .
    C C24 0.0991(5) 0.0304(4) 0.2136(4) 0.0525(11) Uani d . 1 1 . .
    H H24A 0.1160 -0.0266 0.1590 0.063 Uiso calc R 1 1 . .
    H H24B 0.1818 0.0018 0.2443 0.063 Uiso calc R 1 1 . .
    C C25 -0.0463(5) 0.0133(4) 0.3027(4) 0.0595(13) Uani d . 1 1 . .
    H H25A -0.1292 0.0445 0.2724 0.071 Uiso calc R 1 1 . .
    H H25B -0.0616 0.0685 0.3583 0.071 Uiso calc R 1 1 . .
    C C26 -0.0602(5) -0.1238(4) 0.3594(3) 0.0393(9) Uani d . 1 1 . .
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix. The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry. An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;
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
    Cu1 O1 . 1.961(3) ?
    Cu1 O4 2_556 1.921(3) ?
    Cu1 O5 . 2.375(3) ?
    Cu1 N1 . 2.029(3) ?
    Cu1 N2 . 2.028(3) ?
    N1 C1 . 1.336(5) ?
    N1 C5 . 1.341(5) ?
    N2 C18 . 1.333(4) ?
    N2 N4 . 1.334(4) ?
    N3 C18 . 1.321(5) ?
    N3 C19 . 1.332(4) ?
    N4 C20 . 1.329(5) ?
    O1 C21 . 1.283(5) ?
    O2 C21 . 1.235(4) ?
    O3 C26 . 1.236(5) ?
    O4 C26 . 1.260(5) ?
    O4 Cu1 2_556 1.921(3) ?
    O5 H5A . 0.829(18) ?
    O5 H5B . 0.830(18) ?
    C1 C2 . 1.383(5) ?
    C1 H1A . 0.9300 ?
    C2 C3 . 1.367(6) ?
    C2 H2A . 0.9300 ?
    C3 C4 . 1.385(6) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.376(5) ?
    C4 H4A . 0.9300 ?
    C5 C18 . 1.481(5) ?
    C6 C7 . 1.372(6) ?
    C6 C11 . 1.399(5) ?
    C6 H6A . 0.9300 ?
    C7 C8 . 1.378(6) ?
    C7 H7A . 0.9300 ?
    C8 C9 . 1.382(6) ?
    C8 H8A . 0.9300 ?
    C9 C10 . 1.356(6) ?
    C9 H9A . 0.9300 ?
    C10 C11 . 1.401(5) ?
    C10 H10A . 0.9300 ?
    C11 C19 . 1.463(5) ?
    C12 C13 . 1.382(6) ?
    C12 C17 . 1.394(5) ?
    C12 H12A . 0.9300 ?
    C13 C14 . 1.371(6) ?
    C13 H13A . 0.9300 ?
    C14 C15 . 1.382(6) ?
    C14 H14A . 0.9300 ?
    C15 C16 . 1.380(6) ?
    C15 H15A . 0.9300 ?
    C16 C17 . 1.390(5) ?
    C16 H16A . 0.9300 ?
    C17 C20 . 1.477(5) ?
    C19 C20 . 1.438(5) ?
    C21 C22 . 1.516(5) ?
    C22 C23 . 1.508(6) ?
    C22 H22A . 0.9700 ?
    C22 H22B . 0.9700 ?
    C23 C24 . 1.516(6) ?
    C23 H23A . 0.9700 ?
    C23 H23B . 0.9700 ?
    C24 C25 . 1.470(6) ?
    C24 H24A . 0.9700 ?
    C24 H24B . 0.9700 ?
    C25 C26 . 1.513(6) ?
    C25 H25A . 0.9700 ?
    C25 H25B . 0.9700 ?
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
    O1 Cu1 O5 . . 94.47(11) ?
    O1 Cu1 N1 . . 164.40(13) ?
    O1 Cu1 N2 . . 92.22(11) ?
    O4 Cu1 O1 2_556 . 96.02(12) ?
    O4 Cu1 O5 2_556 . 94.45(12) ?
    O4 Cu1 N1 2_556 . 90.71(12) ?
    O4 Cu1 N2 2_556 . 168.98(12) ?
    N1 Cu1 O5 . . 99.04(12) ?
    N2 Cu1 O5 . . 92.19(12) ?
    N2 Cu1 N1 . . 79.55(12) ?
    C1 N1 C5 . . 117.8(3) ?
    C1 N1 Cu1 . . 126.9(3) ?
    C5 N1 Cu1 . . 115.3(2) ?
    C18 N2 N4 . . 117.7(3) ?
    C18 N2 Cu1 . . 115.4(2) ?
    N4 N2 Cu1 . . 126.0(2) ?
    C18 N3 C19 . . 117.8(3) ?
    C20 N4 N2 . . 120.5(3) ?
    C21 O1 Cu1 . . 104.0(2) ?
    C26 O4 Cu1 . 2_556 126.9(3) ?
    Cu1 O5 H5A . . 90(4) ?
    Cu1 O5 H5B . . 129(4) ?
    H5A O5 H5B . . 108(3) ?
    N1 C1 C2 . . 122.4(4) ?
    N1 C1 H1A . . 118.8 ?
    C2 C1 H1A . . 118.8 ?
    C3 C2 C1 . . 118.8(4) ?
    C3 C2 H2A . . 120.6 ?
    C1 C2 H2A . . 120.6 ?
    C2 C3 C4 . . 119.8(4) ?
    C2 C3 H3A . . 120.1 ?
    C4 C3 H3A . . 120.1 ?
    C5 C4 C3 . . 117.6(4) ?
    C5 C4 H4A . . 121.2 ?
    C3 C4 H4A . . 121.2 ?
    N1 C5 C4 . . 123.4(3) ?
    N1 C5 C18 . . 114.3(3) ?
    C4 C5 C18 . . 122.2(4) ?
    C7 C6 C11 . . 120.4(4) ?
    C7 C6 H6A . . 119.8 ?
    C11 C6 H6A . . 119.8 ?
    C6 C7 C8 . . 120.6(4) ?
    C6 C7 H7A . . 119.7 ?
    C8 C7 H7A . . 119.7 ?
    C7 C8 C9 . . 119.3(4) ?
    C7 C8 H8A . . 120.3 ?
    C9 C8 H8A . . 120.3 ?
    C10 C9 C8 . . 120.9(4) ?
    C10 C9 H9A . . 119.6 ?
    C8 C9 H9A . . 119.6 ?
    C9 C10 C11 . . 120.7(4) ?
    C9 C10 H10A . . 119.6 ?
    C11 C10 H10A . . 119.6 ?
    C6 C11 C10 . . 118.1(3) ?
    C6 C11 C19 . . 119.8(3) ?
    C10 C11 C19 . . 121.6(3) ?
    C13 C12 C17 . . 120.5(4) ?
    C13 C12 H12A . . 119.7 ?
    C17 C12 H12A . . 119.7 ?
    C14 C13 C12 . . 120.4(4) ?
    C14 C13 H13A . . 119.8 ?
    C12 C13 H13A . . 119.8 ?
    C13 C14 C15 . . 119.8(4) ?
    C13 C14 H14A . . 120.1 ?
    C15 C14 H14A . . 120.1 ?
    C16 C15 C14 . . 120.1(4) ?
    C16 C15 H15A . . 120.0 ?
    C14 C15 H15A . . 120.0 ?
    C15 C16 C17 . . 120.8(4) ?
    C15 C16 H16A . . 119.6 ?
    C17 C16 H16A . . 119.6 ?
    C16 C17 C12 . . 118.3(3) ?
    C16 C17 C20 . . 121.7(3) ?
    C12 C17 C20 . . 119.6(3) ?
    N3 C18 N2 . . 124.6(3) ?
    N3 C18 C5 . . 120.5(3) ?
    N2 C18 C5 . . 114.9(3) ?
    N3 C19 C20 . . 118.0(3) ?
    N3 C19 C11 . . 115.9(3) ?
    C20 C19 C11 . . 126.0(3) ?
    N4 C20 C19 . . 118.7(3) ?
    N4 C20 C17 . . 114.1(3) ?
    C19 C20 C17 . . 127.0(3) ?
    O2 C21 O1 . . 122.7(4) ?
    O2 C21 C22 . . 120.5(4) ?
    O1 C21 C22 . . 116.8(3) ?
    C23 C22 C21 . . 115.3(3) ?
    C23 C22 H22A . . 108.5 ?
    C21 C22 H22A . . 108.5 ?
    C23 C22 H22B . . 108.5 ?
    C21 C22 H22B . . 108.5 ?
    H22A C22 H22B . . 107.5 ?
    C22 C23 C24 . . 115.8(4) ?
    C22 C23 H23A . . 108.3 ?
    C24 C23 H23A . . 108.3 ?
    C22 C23 H23B . . 108.3 ?
    C24 C23 H23B . . 108.3 ?
    H23A C23 H23B . . 107.4 ?
    C25 C24 C23 . . 116.0(4) ?
    C25 C24 H24A . . 108.3 ?
    C23 C24 H24A . . 108.3 ?
    C25 C24 H24B . . 108.3 ?
    C23 C24 H24B . . 108.3 ?
    H24A C24 H24B . . 107.4 ?
    C24 C25 C26 . . 116.6(4) ?
    C24 C25 H25A . . 108.2 ?
    C26 C25 H25A . . 108.2 ?
    C24 C25 H25B . . 108.2 ?
    C26 C25 H25B . . 108.2 ?
    H25A C25 H25B . . 107.3 ?
    O3 C26 O4 . . 125.7(4) ?
    O3 C26 C25 . . 120.3(4) ?
    O4 C26 C25 . . 113.9(4) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_D
    _geom_hbond_site_symmetry_H
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    O5 H5A O3 . . 2_556 0.83 1.92 2.721(3) 161 y
    O5 H5B O1 . . 2_566 0.83 2.06 2.878(4) 167 y
