##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# 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 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. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Triaqua(2,2'-bipyridine)copper(II) 7-oxadibenzofluorene-3,11-disulfonate
dihydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C10 H14 Cu N2 O3 2+, C20 H10 O7 S2 2-, 2H2 O'
_chemical_formula_sum     'C30 H28 Cu N2 O12 S2'
_chemical_formula_iupac     '[Cu (C10 H8 N2) (H2 O)3] (C20 H10 O7 S2), 2H2 O'
_chemical_formula_weight     736.20
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     9.1978(11)
_cell_length_b     22.423(3)
_cell_length_c     14.8597(18)
_cell_angle_alpha     90.00
_cell_angle_beta     103.287(2)
_cell_angle_gamma     90.00
_cell_volume     2982.7(6)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     943
_cell_measurement_theta_min     2.91
_cell_measurement_theta_max     25.84
_cell_measurement_temperature     293(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     green
_exptl_crystal_size_max     0.50
_exptl_crystal_size_mid     0.39
_exptl_crystal_size_min     0.16
_exptl_crystal_density_diffrn     1.639
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1516
_exptl_absorpt_coefficient_mu     0.944
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.6498
_exptl_absorpt_correction_T_max     0.8637
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(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     'Bruker SMART 1000 CCD'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     10925
_diffrn_reflns_av_R_equivalents     0.0239
_diffrn_reflns_av_sigmaI/netI     0.0419
_diffrn_reflns_theta_min     2.28
_diffrn_reflns_theta_max     26.00
_diffrn_reflns_theta_full     26.00
_diffrn_measured_fraction_theta_max     0.975
_diffrn_measured_fraction_theta_full     0.975
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -23
_diffrn_reflns_limit_k_max     27
_diffrn_reflns_limit_l_min     -8
_diffrn_reflns_limit_l_max     18
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_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 > 2sigma(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     5731
_reflns_number_gt     3856
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0802
_refine_ls_R_factor_gt     0.0474
_refine_ls_wR_factor_gt     0.1167
_refine_ls_wR_factor_ref     0.1381
_refine_ls_goodness_of_fit_ref     1.021
_refine_ls_restrained_S_all     1.039
_refine_ls_number_reflns     5731
_refine_ls_number_parameters     452
_refine_ls_number_restraints     12
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
      'calc w = 1/[σ²(Fo²)+(0.0714P)²+1.825P] 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     0.001
_refine_ls_shift/su_mean     0.001
_refine_diff_density_max     0.589
_refine_diff_density_min     -0.255
_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'
    'S' 'S' 0.1246 0.1234
                         '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     'SMART (Bruker, 1999)'
_computing_cell_refinement     'SAINT-Plus (Bruker, 1999)'
_computing_data_reduction     'SAINT-Plus (Bruker, 1999)'
_computing_structure_solution     'SHELXTL (Bruker, 1999)'
_computing_structure_refinement     'SHELXTL'
_computing_molecular_graphics     'SHELXTL'
_computing_publication_material     'SHELXTL'
loop_
    _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
    _atom_site_type_symbol
    Cu1 0.33247(5) 0.65619(2) 0.44944(3) 0.04285(16) Uani d . 1 . . Cu
    N1 0.1891(3) 0.71445(13) 0.37805(19) 0.0396(7) Uani d . 1 . . N
    N2 0.3658(3) 0.63987(15) 0.3234(2) 0.0470(8) Uani d . 1 . . N
    C26 0.3006(4) 0.67969(17) 0.2587(3) 0.0429(9) Uani d . 1 . . C
    C25 0.1943(4) 0.72005(16) 0.2883(2) 0.0389(8) Uani d . 1 . . C
    C23 0.0010(5) 0.79219(19) 0.2639(3) 0.0566(11) Uani d . 1 . . C
    H23 -0.0631 0.8184 0.2254 0.068 Uiso calc R 1 . . H
    C24 0.1024(5) 0.75915(18) 0.2301(3) 0.0511(10) Uani d . 1 . . C
    H24 0.1088 0.7631 0.1689 0.061 Uiso calc R 1 . . H
    C22 -0.0052(5) 0.78641(18) 0.3538(3) 0.0536(10) Uani d . 1 . . C
    H22 -0.0737 0.8083 0.3774 0.064 Uiso calc R 1 . . H
    C29 0.4825(5) 0.5953(2) 0.2127(4) 0.0678(13) Uani d . 1 . . C
    H29 0.5421 0.5651 0.1976 0.081 Uiso calc R 1 . . H
    C30 0.4548(4) 0.5978(2) 0.3002(3) 0.0576(11) Uani d . 1 . . C
    H30 0.4988 0.5697 0.3440 0.069 Uiso calc R 1 . . H
    C27 0.3299(5) 0.6800(2) 0.1718(3) 0.0567(11) Uani d . 1 . . C
    H27 0.2875 0.7089 0.1288 0.068 Uiso calc R 1 . . H
    C21 0.0912(4) 0.74772(17) 0.4093(3) 0.0478(9) Uani d . 1 . . C
    H21 0.0880 0.7446 0.4713 0.057 Uiso calc R 1 . . H
    C28 0.4227(5) 0.6370(3) 0.1491(3) 0.0664(13) Uani d . 1 . . C
    H28 0.4439 0.6368 0.0908 0.080 Uiso calc R 1 . . H
    S2 -0.13675(10) 0.61895(5) 0.53151(6) 0.0471(3) Uani d . 1 . . S
    C18 -0.0942(4) 0.61036(16) 0.4216(2) 0.0361(8) Uani d . 1 . . C
    C15 -0.1377(4) 0.63511(15) 0.2597(2) 0.0367(8) Uani d . 1 . . C
    O4 -0.0118(3) 0.62237(12) 0.01417(16) 0.0481(7) Uani d . 1 . . O
    C19 0.0172(4) 0.56984(16) 0.4127(2) 0.0397(8) Uani d . 1 . . C
    H19 0.0690 0.5488 0.4640 0.048 Uiso calc R 1 . . H
    C16 -0.0279(3) 0.59158(15) 0.2493(2) 0.0331(7) Uani d . 1 . . C
    C20 0.0495(4) 0.56133(15) 0.3294(2) 0.0360(8) Uani d . 1 . . C
    H20 0.1250 0.5348 0.3246 0.043 Uiso calc R 1 . . H
    O5 -0.2430(3) 0.57204(15) 0.53705(19) 0.0639(8) Uani d . 1 . . O
    C4 0.1869(4) 0.49652(15) 0.1354(2) 0.0364(8) Uani d . 1 A . C
    C11 0.0023(4) 0.58592(15) 0.1594(2) 0.0345(8) Uani d . 1 . . C
    C9 0.0881(4) 0.57583(17) 0.0293(2) 0.0421(9) Uani d . 1 . . C
    C10 0.0980(4) 0.54914(15) 0.1154(2) 0.0352(8) Uani d . 1 . . C
    C17 -0.1689(4) 0.64228(16) 0.3476(2) 0.0388(8) Uani d . 1 . . C
    H17 -0.2418 0.6693 0.3551 0.047 Uiso calc R 1 . . H
    C3 0.2746(4) 0.48026(17) 0.0706(2) 0.0405(8) Uani d . 1 . . C
    C14 -0.2085(4) 0.67216(17) 0.1849(3) 0.0445(9) Uani d . 1 . . C
    H14 -0.2819 0.6988 0.1930 0.053 Uiso calc R 1 . . H
    C1 0.3729(4) 0.39481(17) 0.1651(3) 0.0425(9) Uani d . 1 . . C
    C13 -0.1707(4) 0.66937(17) 0.1015(3) 0.0472(9) Uani d . 1 . . C
    H13 -0.2139 0.6945 0.0528 0.057 Uiso calc R 1 . . H
    C12 -0.0636(4) 0.62676(16) 0.0928(2) 0.0401(8) Uani d . 1 . . C
    O6 0.0044(3) 0.60993(16) 0.59806(18) 0.0656(9) Uani d . 1 . . O
    C8 0.1690(5) 0.55978(19) -0.0343(3) 0.0499(10) Uani d . 1 . . C
    H8 0.1589 0.5801 -0.0900 0.060 Uiso calc R 1 . . H
    C5 0.1909(4) 0.45771(16) 0.2103(2) 0.0396(8) Uani d . 1 . . C
    H5 0.1293 0.4655 0.2506 0.048 Uiso calc R 1 A . H
    O7 -0.1957(4) 0.67785(15) 0.5357(2) 0.0703(9) Uani d . 1 . . O
    C6 0.2823(4) 0.40884(17) 0.2259(3) 0.0453(9) Uani d . 1 A . C
    H6 0.2842 0.3848 0.2772 0.054 Uiso calc R 1 . . H
    C2 0.3671(4) 0.42940(18) 0.0894(3) 0.0467(9) Uani d . 1 A . C
    H2 0.4259 0.4193 0.0485 0.056 Uiso calc R 1 . . H
    C7 0.2638(4) 0.51305(19) -0.0120(3) 0.0498(10) Uani d . 1 . . C
    H7 0.3235 0.5022 -0.0521 0.060 Uiso calc R 1 . . H
    O8 0.5079(3) 0.72212(14) 0.5012(2) 0.0654(8) Uani d . 1 . . O
    H8A 0.5966 0.7079 0.5105 0.098 Uiso d R 1 . . H
    H8B 0.4891 0.7411 0.4499 0.098 Uiso d R 1 . . H
    O9 0.2552(3) 0.66691(12) 0.56337(17) 0.0500(7) Uani d . 1 . . O
    H9A 0.3210 0.6702 0.6142 0.075 Uiso d R 1 . . H
    H9B 0.1821 0.6462 0.5730 0.075 Uiso d R 1 . . H
    O10 0.4520(3) 0.58769(13) 0.5054(2) 0.0646(8) Uani d . 1 . . O
    H10A 0.4261 0.5739 0.5534 0.097 Uiso d R 1 . . H
    H10B 0.5482 0.5885 0.5176 0.097 Uiso d R 1 . . H
    O11 0.2163(5) 0.5557(2) 0.7443(3) 0.1074(14) Uani d . 1 . . O
    H11A 0.2721 0.5865 0.7640 0.161 Uiso d R 1 . . H
    H11B 0.1346 0.5700 0.7092 0.161 Uiso d R 1 . . H
    O12 0.3383(4) 0.51652(15) 0.6062(3) 0.0890(11) Uani d . 1 . . O
    H12B 0.3112 0.5240 0.6566 0.133 Uiso d R 1 . . H
    H12A 0.2809 0.4899 0.5755 0.133 Uiso d R 1 . . H
    S1 0.48876(12) 0.33112(5) 0.18654(8) 0.0581(3) Uani d PD 0.384(13) A 1 S
    O3 0.5431(11) 0.3231(4) 0.0999(5) 0.052(3) Uani d PD 0.384(13) A 1 O
    O2 0.6050(10) 0.3477(4) 0.2620(6) 0.060(3) Uani d PD 0.384(13) A 1 O
    O1 0.3960(11) 0.2818(4) 0.1994(9) 0.074(4) Uani d PD 0.384(13) A 1 O
    S1' 0.48876(12) 0.33112(5) 0.18654(8) 0.0581(3) Uani d PD 0.616(13) A 2 S
    O2' 0.5236(10) 0.3225(4) 0.2871(4) 0.086(3) Uani d PD 0.616(13) A 2 O
    O1' 0.4052(8) 0.2825(3) 0.1424(6) 0.090(3) Uani d PD 0.616(13) A 2 O
    O3' 0.6188(8) 0.3455(4) 0.1559(7) 0.105(4) Uani d PD 0.616(13) A 2 O
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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 N1 . 1.982(3) yes
    Cu1 N2 . 2.000(3) yes
    Cu1 O8 . 2.194(3) yes
    Cu1 O9 . 1.996(3) yes
    Cu1 O10 . 1.959(3) yes
    N1 C21 . 1.333(5) ?
    N1 C25 . 1.351(4) ?
    N2 C30 . 1.345(5) ?
    N2 C26 . 1.348(5) ?
    C26 C27 . 1.379(5) ?
    C26 C25 . 1.472(5) ?
    C25 C24 . 1.377(5) ?
    C23 C22 . 1.356(6) ?
    C23 C24 . 1.373(6) ?
    C23 H23 . 0.9300 ?
    C24 H24 . 0.9300 ?
    C22 C21 . 1.372(5) ?
    C22 H22 . 0.9300 ?
    C29 C28 . 1.354(7) ?
    C29 C30 . 1.382(6) ?
    C29 H29 . 0.9300 ?
    C30 H30 . 0.9300 ?
    C27 C28 . 1.379(6) ?
    C27 H27 . 0.9300 ?
    C21 H21 . 0.9300 ?
    C28 H28 . 0.9300 ?
    S2 O7 . 1.434(3) ?
    S2 O5 . 1.451(3) ?
    S2 O6 . 1.454(3) ?
    S2 C18 . 1.775(3) ?
    C18 C17 . 1.359(5) ?
    C18 C19 . 1.399(5) ?
    C15 C17 . 1.410(5) ?
    C15 C14 . 1.419(5) ?
    C15 C16 . 1.438(5) ?
    O4 C12 . 1.363(4) ?
    O4 C9 . 1.374(4) ?
    C19 C20 . 1.352(5) ?
    C19 H19 . 0.9300 ?
    C16 C20 . 1.412(4) ?
    C16 C11 . 1.432(4) ?
    C20 H20 . 0.9300 ?
    C4 C5 . 1.407(5) ?
    C4 C10 . 1.427(5) ?
    C4 C3 . 1.437(5) ?
    C11 C12 . 1.381(5) ?
    C11 C10 . 1.465(5) ?
    C9 C8 . 1.379(5) ?
    C9 C10 . 1.395(5) ?
    C17 H17 . 0.9300 ?
    C3 C2 . 1.412(5) ?
    C3 C7 . 1.415(5) ?
    C14 C13 . 1.364(5) ?
    C14 H14 . 0.9300 ?
    C1 C2 . 1.358(5) ?
    C1 C6 . 1.399(5) ?
    C1 S1 . 1.766(4) ?
    C13 C12 . 1.400(5) ?
    C13 H13 . 0.9300 ?
    C8 C7 . 1.355(6) ?
    C8 H8 . 0.9300 ?
    C5 C6 . 1.368(5) ?
    C5 H5 . 0.9300 ?
    C6 H6 . 0.9300 ?
    C2 H2 . 0.9300 ?
    C7 H7 . 0.9300 ?
    O8 H8A . 0.8565 ?
    O8 H8B . 0.8546 ?
    O9 H9A . 0.8556 ?
    O9 H9B . 0.8556 ?
    O10 H10A . 0.8588 ?
    O10 H10B . 0.8614 ?
    O11 H11A . 0.8697 ?
    O11 H11B . 0.8715 ?
    O12 H12B . 0.8590 ?
    O12 H12A . 0.8555 ?
    S1 O2 . 1.409(7) ?
    S1 O1 . 1.437(7) ?
    S1 O3 . 1.495(6) ?
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
    O9 Cu1 N2 . . 167.89(12) yes
    O9 Cu1 O8 . . 89.89(11) yes
    O10 Cu1 N1 . . 169.52(13) yes
    O10 Cu1 N2 . . 93.58(13) yes
    O10 Cu1 O8 . . 94.79(12) yes
    O10 Cu1 O9 . . 90.49(12) yes
    N1 Cu1 O8 . . 95.10(12) yes
    N1 Cu1 O9 . . 92.97(11) yes
    N1 Cu1 N2 . . 81.13(13) yes
    N2 Cu1 O8 . . 101.11(12) yes
    C21 N1 C25 . . 118.2(3) ?
    C21 N1 Cu1 . . 127.0(2) ?
    C25 N1 Cu1 . . 114.8(2) ?
    C30 N2 C26 . . 118.6(4) ?
    C30 N2 Cu1 . . 127.0(3) ?
    C26 N2 Cu1 . . 114.1(3) ?
    N2 C26 C27 . . 121.4(4) ?
    N2 C26 C25 . . 114.3(3) ?
    C27 C26 C25 . . 124.3(4) ?
    N1 C25 C24 . . 121.5(4) ?
    N1 C25 C26 . . 114.5(3) ?
    C24 C25 C26 . . 123.9(3) ?
    C22 C23 C24 . . 119.6(4) ?
    C22 C23 H23 . . 120.2 ?
    C24 C23 H23 . . 120.2 ?
    C23 C24 C25 . . 119.0(4) ?
    C23 C24 H24 . . 120.5 ?
    C25 C24 H24 . . 120.5 ?
    C23 C22 C21 . . 119.1(4) ?
    C23 C22 H22 . . 120.5 ?
    C21 C22 H22 . . 120.5 ?
    C28 C29 C30 . . 119.7(5) ?
    C28 C29 H29 . . 120.1 ?
    C30 C29 H29 . . 120.1 ?
    N2 C30 C29 . . 121.6(5) ?
    N2 C30 H30 . . 119.2 ?
    C29 C30 H30 . . 119.2 ?
    C28 C27 C26 . . 119.4(5) ?
    C28 C27 H27 . . 120.3 ?
    C26 C27 H27 . . 120.3 ?
    N1 C21 C22 . . 122.6(4) ?
    N1 C21 H21 . . 118.7 ?
    C22 C21 H21 . . 118.7 ?
    C29 C28 C27 . . 119.1(4) ?
    C29 C28 H28 . . 120.4 ?
    C27 C28 H28 . . 120.4 ?
    O7 S2 O5 . . 113.5(2) ?
    O7 S2 O6 . . 112.7(2) ?
    O5 S2 O6 . . 111.6(2) ?
    O7 S2 C18 . . 107.74(18) ?
    O5 S2 C18 . . 105.50(16) ?
    O6 S2 C18 . . 105.06(16) ?
    C17 C18 C19 . . 120.7(3) ?
    C17 C18 S2 . . 120.7(3) ?
    C19 C18 S2 . . 118.6(3) ?
    C17 C15 C14 . . 120.3(3) ?
    C17 C15 C16 . . 118.3(3) ?
    C14 C15 C16 . . 121.4(3) ?
    C12 O4 C9 . . 105.4(3) ?
    C20 C19 C18 . . 119.9(3) ?
    C20 C19 H19 . . 120.0 ?
    C18 C19 H19 . . 120.0 ?
    C20 C16 C11 . . 125.1(3) ?
    C20 C16 C15 . . 117.8(3) ?
    C11 C16 C15 . . 116.9(3) ?
    C19 C20 C16 . . 122.0(3) ?
    C19 C20 H20 . . 119.0 ?
    C16 C20 H20 . . 119.0 ?
    C5 C4 C10 . . 125.9(3) ?
    C5 C4 C3 . . 117.1(3) ?
    C10 C4 C3 . . 116.9(3) ?
    C12 C11 C16 . . 117.5(3) ?
    C12 C11 C10 . . 105.3(3) ?
    C16 C11 C10 . . 137.0(3) ?
    O4 C9 C8 . . 122.1(3) ?
    O4 C9 C10 . . 112.1(3) ?
    C8 C9 C10 . . 125.8(4) ?
    C9 C10 C4 . . 117.3(3) ?
    C9 C10 C11 . . 104.4(3) ?
    C4 C10 C11 . . 138.3(3) ?
    C18 C17 C15 . . 121.2(3) ?
    C18 C17 H17 . . 119.4 ?
    C15 C17 H17 . . 119.4 ?
    C2 C3 C7 . . 120.6(3) ?
    C2 C3 C4 . . 118.6(3) ?
    C7 C3 C4 . . 120.7(3) ?
    C13 C14 C15 . . 121.2(3) ?
    C13 C14 H14 . . 119.4 ?
    C15 C14 H14 . . 119.4 ?
    C2 C1 C6 . . 119.4(3) ?
    C2 C1 S1 . . 121.3(3) ?
    C6 C1 S1 . . 119.3(3) ?
    C14 C13 C12 . . 116.5(3) ?
    C14 C13 H13 . . 121.7 ?
    C12 C13 H13 . . 121.7 ?
    O4 C12 C11 . . 112.6(3) ?
    O4 C12 C13 . . 121.3(3) ?
    C11 C12 C13 . . 126.1(3) ?
    C7 C8 C9 . . 116.9(3) ?
    C7 C8 H8 . . 121.6 ?
    C9 C8 H8 . . 121.6 ?
    C6 C5 C4 . . 122.2(3) ?
    C6 C5 H5 . . 118.9 ?
    C4 C5 H5 . . 118.9 ?
    C5 C6 C1 . . 120.3(4) ?
    C5 C6 H6 . . 119.8 ?
    C1 C6 H6 . . 119.8 ?
    C1 C2 C3 . . 122.2(3) ?
    C1 C2 H2 . . 118.9 ?
    C3 C2 H2 . . 118.9 ?
    C8 C7 C3 . . 121.8(3) ?
    C8 C7 H7 . . 119.1 ?
    C3 C7 H7 . . 119.1 ?
    Cu1 O8 H8A . . 113.7 ?
    Cu1 O8 H8B . . 92.3 ?
    H8A O8 H8B . . 108.7 ?
    Cu1 O9 H9A . . 116.2 ?
    Cu1 O9 H9B . . 121.6 ?
    H9A O9 H9B . . 108.8 ?
    Cu1 O10 H10A . . 113.5 ?
    Cu1 O10 H10B . . 121.4 ?
    H10A O10 H10B . . 107.5 ?
    H11A O11 H11B . . 105.7 ?
    H12B O12 H12A . . 109.5 ?
    O2 S1 O1 . . 117.5(5) ?
    O2 S1 O3 . . 111.9(4) ?
    O1 S1 O3 . . 110.4(4) ?
    O2 S1 C1 . . 104.3(4) ?
    O1 S1 C1 . . 107.2(5) ?
    O3 S1 C1 . . 104.4(3) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O10 Cu1 N1 C21 . . . . 113.0(7) ?
    O9 Cu1 N1 C21 . . . . 3.9(3) ?
    N2 Cu1 N1 C21 . . . . 173.2(3) ?
    O8 Cu1 N1 C21 . . . . -86.3(3) ?
    O10 Cu1 N1 C25 . . . . -67.2(7) ?
    O9 Cu1 N1 C25 . . . . -176.3(2) ?
    N2 Cu1 N1 C25 . . . . -6.9(2) ?
    O8 Cu1 N1 C25 . . . . 93.5(2) ?
    O10 Cu1 N2 C30 . . . . -5.3(3) ?
    N1 Cu1 N2 C30 . . . . -176.2(3) ?
    O9 Cu1 N2 C30 . . . . -114.7(6) ?
    O8 Cu1 N2 C30 . . . . 90.3(3) ?
    O10 Cu1 N2 C26 . . . . -178.9(3) ?
    N1 Cu1 N2 C26 . . . . 10.2(2) ?
    O9 Cu1 N2 C26 . . . . 71.6(7) ?
    O8 Cu1 N2 C26 . . . . -83.3(3) ?
    C30 N2 C26 C27 . . . . -3.6(5) ?
    Cu1 N2 C26 C27 . . . . 170.6(3) ?
    C30 N2 C26 C25 . . . . 174.4(3) ?
    Cu1 N2 C26 C25 . . . . -11.4(4) ?
    C21 N1 C25 C24 . . . . 0.4(5) ?
    Cu1 N1 C25 C24 . . . . -179.4(3) ?
    C21 N1 C25 C26 . . . . -177.3(3) ?
    Cu1 N1 C25 C26 . . . . 2.8(4) ?
    N2 C26 C25 N1 . . . . 5.7(4) ?
    C27 C26 C25 N1 . . . . -176.4(3) ?
    N2 C26 C25 C24 . . . . -171.9(3) ?
    C27 C26 C25 C24 . . . . 6.0(6) ?
    C22 C23 C24 C25 . . . . 1.0(6) ?
    N1 C25 C24 C23 . . . . -1.4(6) ?
    C26 C25 C24 C23 . . . . 176.1(4) ?
    C24 C23 C22 C21 . . . . 0.4(6) ?
    C26 N2 C30 C29 . . . . 1.2(6) ?
    Cu1 N2 C30 C29 . . . . -172.2(3) ?
    C28 C29 C30 N2 . . . . 1.9(7) ?
    N2 C26 C27 C28 . . . . 2.9(6) ?
    C25 C26 C27 C28 . . . . -174.9(4) ?
    C25 N1 C21 C22 . . . . 1.0(5) ?
    Cu1 N1 C21 C22 . . . . -179.1(3) ?
    C23 C22 C21 N1 . . . . -1.4(6) ?
    C30 C29 C28 C27 . . . . -2.6(7) ?
    C26 C27 C28 C29 . . . . 0.3(6) ?
    O7 S2 C18 C17 . . . . -26.7(3) ?
    O5 S2 C18 C17 . . . . 94.8(3) ?
    O6 S2 C18 C17 . . . . -147.1(3) ?
    O7 S2 C18 C19 . . . . 153.6(3) ?
    O5 S2 C18 C19 . . . . -84.9(3) ?
    O6 S2 C18 C19 . . . . 33.2(3) ?
    C17 C18 C19 C20 . . . . -1.3(5) ?
    S2 C18 C19 C20 . . . . 178.4(3) ?
    C17 C15 C16 C20 . . . . -4.2(5) ?
    C14 C15 C16 C20 . . . . 172.9(3) ?
    C17 C15 C16 C11 . . . . -179.3(3) ?
    C14 C15 C16 C11 . . . . -2.2(5) ?
    C18 C19 C20 C16 . . . . -1.1(5) ?
    C11 C16 C20 C19 . . . . 178.5(3) ?
    C15 C16 C20 C19 . . . . 3.8(5) ?
    C20 C16 C11 C12 . . . . -167.9(3) ?
    C15 C16 C11 C12 . . . . 6.8(4) ?
    C20 C16 C11 C10 . . . . 6.5(6) ?
    C15 C16 C11 C10 . . . . -178.8(4) ?
    C12 O4 C9 C8 . . . . -177.0(3) ?
    C12 O4 C9 C10 . . . . 1.8(4) ?
    O4 C9 C10 C4 . . . . 173.9(3) ?
    C8 C9 C10 C4 . . . . -7.4(6) ?
    O4 C9 C10 C11 . . . . -4.3(4) ?
    C8 C9 C10 C11 . . . . 174.4(4) ?
    C5 C4 C10 C9 . . . . -168.5(3) ?
    C3 C4 C10 C9 . . . . 8.2(5) ?
    C5 C4 C10 C11 . . . . 8.9(6) ?
    C3 C4 C10 C11 . . . . -174.4(4) ?
    C12 C11 C10 C9 . . . . 5.1(4) ?
    C16 C11 C10 C9 . . . . -169.8(4) ?
    C12 C11 C10 C4 . . . . -172.6(4) ?
    C16 C11 C10 C4 . . . . 12.6(7) ?
    C19 C18 C17 C15 . . . . 0.7(5) ?
    S2 C18 C17 C15 . . . . -179.0(3) ?
    C14 C15 C17 C18 . . . . -175.1(3) ?
    C16 C15 C17 C18 . . . . 2.0(5) ?
    C5 C4 C3 C2 . . . . -4.6(5) ?
    C10 C4 C3 C2 . . . . 178.3(3) ?
    C5 C4 C3 C7 . . . . 172.8(3) ?
    C10 C4 C3 C7 . . . . -4.3(5) ?
    C17 C15 C14 C13 . . . . 174.5(3) ?
    C16 C15 C14 C13 . . . . -2.5(5) ?
    C15 C14 C13 C12 . . . . 2.4(5) ?
    C9 O4 C12 C11 . . . . 1.8(4) ?
    C9 O4 C12 C13 . . . . -178.9(3) ?
    C16 C11 C12 O4 . . . . 171.7(3) ?
    C10 C11 C12 O4 . . . . -4.4(4) ?
    C16 C11 C12 C13 . . . . -7.6(5) ?
    C10 C11 C12 C13 . . . . 176.3(3) ?
    C14 C13 C12 O4 . . . . -176.4(3) ?
    C14 C13 C12 C11 . . . . 2.9(6) ?
    O4 C9 C8 C7 . . . . -179.8(4) ?
    C10 C9 C8 C7 . . . . 1.6(6) ?
    C10 C4 C5 C6 . . . . -178.3(3) ?
    C3 C4 C5 C6 . . . . 4.9(5) ?
    C4 C5 C6 C1 . . . . -1.9(5) ?
    C2 C1 C6 C5 . . . . -1.4(5) ?
    S1 C1 C6 C5 . . . . -179.5(3) ?
    C6 C1 C2 C3 . . . . 1.5(6) ?
    S1 C1 C2 C3 . . . . 179.6(3) ?
    C7 C3 C2 C1 . . . . -175.8(4) ?
    C4 C3 C2 C1 . . . . 1.6(5) ?
    C9 C8 C7 C3 . . . . 3.0(6) ?
    C2 C3 C7 C8 . . . . 175.9(4) ?
    C4 C3 C7 C8 . . . . -1.5(6) ?
    C2 C1 S1 O2 . . . . 108.2(6) ?
    C6 C1 S1 O2 . . . . -73.6(6) ?
    C2 C1 S1 O1 . . . . -126.5(6) ?
    C6 C1 S1 O1 . . . . 51.7(6) ?
    C2 C1 S1 O3 . . . . -9.4(5) ?
    C6 C1 S1 O3 . . . . 168.8(5) ?
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
    _geom_hbond_publ_flag
    O8 H8A O7 1_655 0.86 1.98 2.835(4) 177 yes
    O8 H8B O3 2_655 0.85 1.99 2.710(9) 141 yes
    O9 H9A O2 3_666 0.86 1.85 2.640(7) 152 yes
    O9 H9B O6 . 0.86 1.94 2.787(4) 172 yes
    O10 H10A O12 . 0.86 1.79 2.569(4) 149 yes
    O10 H10B O5 1_655 0.86 1.91 2.758(4) 167 yes
    O11 H11A O2 3_666 0.87 1.96 2.745(11) 149 yes
    O11 H11B O6 . 0.87 2.01 2.838(5) 157 yes
    O12 H12A O5 3_566 0.86 2.14 2.896(5) 147 yes
    O12 H12B O11 . 0.86 1.87 2.702(5) 163 yes
data_global
_journal_data_validation_number     ?
_journal_date_recd_electronic     2005-08-11
_journal_date_accepted     2005-10-05
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue     11
_journal_page_first     m2259
_journal_page_last     m2261
_journal_paper_category     EM
_journal_coeditor_code     BD6010
_publ_contact_author_name     'Prof. Tan, Min-Yu'
_publ_contact_author_address
;
      Department of Chemistry and Chemical Engineering
      Lanzhou University
      Lanzhou Gansu 730000
      P. R. China
;
_publ_contact_author_email     cestmy@yahoo.com.cn
_publ_contact_author_fax     '0086-20-84112921'
_publ_contact_author_phone     '0086-20-84112921'
_publ_section_title
;
Triaqua(2,2'-bipyridine)copper(II) 7-oxadibenzofluorene-3,11-disulfonate
dihydrate
;
loop_
    _publ_author_name
    _publ_author_address
    'Guo, Li-Rong'
;
Department of Chemistry and Chemical Engineering
Lanzhou University
Lanzhou Gansu 730000
People's Republic of China
;
    'Jiang, Long'
;
Department of Chemistry and Chemical Engineering
Lanzhou University
Lanzhou Gansu 730000
People's Republic of China
;
    'Tan, Min-Yu'
;
Department of Chemistry and Chemical Engineering
Lanzhou University
Lanzhou Gansu 730000
People's Republic of China
;
