##############################################################################
###                                                                        ###
###        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/  #
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#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
1,10-Phenanthrolin-1-ium
4-(3-carboxy-2-hydroxynaphthylmethyl)-3-hydroxy-2-naphthoate
N,N-dimethylformamide solvate
;
_chemical_name_common
;
1,10-Phenanthrolin-1-ium pamoate N,N-dimethylformamide solvate
;
_chemical_formula_moiety     'C12 H9 N2 + , C23 H15 O6 - , C3 H7 N O'
_chemical_formula_sum     'C38 H31 N3 O7'
_chemical_formula_iupac     'C12 H9 N2 + , C23 H15 O6 - , C3 H7 N O'
_chemical_formula_weight     641.66
_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     10.7047(12)
_cell_length_b     11.7544(14)
_cell_length_c     13.4577(15)
_cell_angle_alpha     82.238(3)
_cell_angle_beta     72.346(2)
_cell_angle_gamma     71.824(2)
_cell_volume     1531.6(3)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     1163
_cell_measurement_theta_min     2.24
_cell_measurement_theta_max     22.47
_cell_measurement_temperature     298(2)
_exptl_crystal_description     Block
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.35
_exptl_crystal_size_mid     0.31
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     1.391
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     672
_exptl_absorpt_coefficient_mu     0.097
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2002)'
_exptl_absorpt_correction_T_min     0.967
_exptl_absorpt_correction_T_max     0.978
_diffrn_ambient_temperature     298(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 CCD area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     8169
_diffrn_reflns_av_R_equivalents     0.0239
_diffrn_reflns_av_sigmaI/netI     0.0618
_diffrn_reflns_theta_min     2.08
_diffrn_reflns_theta_max     25.10
_diffrn_reflns_theta_full     25.10
_diffrn_measured_fraction_theta_max     0.985
_diffrn_measured_fraction_theta_full     0.985
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_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     5363
_reflns_number_gt     3703
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1271
_refine_ls_R_factor_gt     0.0887
_refine_ls_wR_factor_gt     0.1766
_refine_ls_wR_factor_ref     0.1979
_refine_ls_goodness_of_fit_ref     1.124
_refine_ls_restrained_S_all     1.124
_refine_ls_number_reflns     5363
_refine_ls_number_parameters     435
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0724P)²+0.3956P] 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     0.000
_refine_diff_density_max     0.226
_refine_diff_density_min     -0.304
_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'
_computing_data_collection     'SMART (Bruker, 2002)'
_computing_cell_refinement     'SAINT (Bruker, 2002)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Bruker, 2002)'
_computing_publication_material     'SHELXL97 (Sheldrick, 1997)'
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
    O O1 0.3385(2) 0.6305(2) 0.40643(19) 0.0478(7) Uani d . 1 . .
    H H1 0.3260 0.6346 0.3487 0.072 Uiso d R 1 . .
    O O2 0.3198(3) 0.7085(3) 0.2250(2) 0.0653(9) Uani d . 1 . .
    O O3 0.4025(3) 0.8585(3) 0.1483(2) 0.0583(8) Uani d . 1 . .
    H H3 0.3675 0.8571 0.1022 0.087 Uiso d R 1 . .
    O O4 0.5005(2) 0.6315(2) 0.76568(18) 0.0471(7) Uani d . 1 . .
    H H4 0.5148 0.6408 0.8201 0.071 Uiso d R 1 . .
    O O5 0.4809(3) 0.7152(3) 0.9351(2) 0.0623(8) Uani d . 1 . .
    O O6 0.3007(3) 0.8635(2) 1.0062(2) 0.0580(8) Uani d . 1 . .
    O O7 1.1274(3) 0.3979(3) 0.2835(3) 0.0835(11) Uani d . 1 . .
    N N1 0.8664(3) 0.4601(3) 0.1335(3) 0.0514(9) Uani d . 1 . .
    N N2 1.1160(3) 0.2988(3) 0.1192(2) 0.0465(8) Uani d . 1 . .
    H H2N 1.0834 0.3479 0.1689 0.056 Uiso d R 1 . .
    N N3 1.0023(3) 0.5664(3) 0.3690(3) 0.0579(10) Uani d . 1 . .
    C C1 0.4575(3) 0.7112(3) 0.4872(2) 0.0308(8) Uani d . 1 . .
    C C2 0.4141(3) 0.7066(3) 0.4022(3) 0.0335(8) Uani d . 1 . .
    C C3 0.4400(3) 0.7825(3) 0.3101(3) 0.0374(9) Uani d . 1 . .
    C C4 0.5159(3) 0.8586(3) 0.3066(3) 0.0403(9) Uani d . 1 . .
    H H4A 0.5307 0.9107 0.2487 0.048 Uiso calc R 1 . .
    C C5 0.5718(3) 0.8599(3) 0.3884(3) 0.0340(8) Uani d . 1 . .
    C C6 0.6537(4) 0.9372(3) 0.3825(3) 0.0462(10) Uani d . 1 . .
    H H6 0.6703 0.9876 0.3236 0.055 Uiso calc R 1 . .
    C C7 0.7077(4) 0.9386(4) 0.4609(3) 0.0480(10) Uani d . 1 . .
    H H7 0.7594 0.9906 0.4567 0.058 Uiso calc R 1 . .
    C C8 0.6846(4) 0.8607(4) 0.5484(3) 0.0459(10) Uani d . 1 . .
    H H8 0.7238 0.8599 0.6015 0.055 Uiso calc R 1 . .
    C C9 0.6068(3) 0.7866(3) 0.5576(3) 0.0386(9) Uani d . 1 . .
    H H9 0.5937 0.7361 0.6169 0.046 Uiso calc R 1 . .
    C C10 0.5446(3) 0.7843(3) 0.4788(2) 0.0306(8) Uani d . 1 . .
    C C11 0.4130(3) 0.6405(3) 0.5879(2) 0.0341(8) Uani d . 1 . .
    H H11A 0.4936 0.5863 0.6048 0.041 Uiso calc R 1 . .
    H H11B 0.3597 0.5924 0.5771 0.041 Uiso calc R 1 . .
    C C12 0.3280(3) 0.7195(3) 0.6801(2) 0.0328(8) Uani d . 1 . .
    C C13 0.3788(3) 0.7122(3) 0.7641(2) 0.0325(8) Uani d . 1 . .
    C C14 0.3072(4) 0.7913(3) 0.8486(3) 0.0385(9) Uani d . 1 . .
    C C15 0.1827(3) 0.8703(3) 0.8476(3) 0.0377(9) Uani d . 1 . .
    H H15 0.1364 0.9216 0.9024 0.045 Uiso calc R 1 . .
    C C16 0.1223(3) 0.8767(3) 0.7673(3) 0.0349(8) Uani d . 1 . .
    C C17 -0.0079(3) 0.9569(3) 0.7675(3) 0.0445(10) Uani d . 1 . .
    H H17 -0.0560 1.0072 0.8228 0.053 Uiso calc R 1 . .
    C C18 -0.0634(4) 0.9613(4) 0.6886(3) 0.0504(11) Uani d . 1 . .
    H H18 -0.1479 1.0157 0.6888 0.060 Uiso calc R 1 . .
    C C19 0.0071(4) 0.8836(3) 0.6067(3) 0.0448(10) Uani d . 1 . .
    H H19 -0.0323 0.8857 0.5534 0.054 Uiso calc R 1 . .
    C C20 0.1315(3) 0.8053(3) 0.6033(3) 0.0355(8) Uani d . 1 . .
    H H20 0.1756 0.7547 0.5479 0.043 Uiso calc R 1 . .
    C C21 0.1960(3) 0.7988(3) 0.6829(2) 0.0308(8) Uani d . 1 . .
    C C22 0.3831(4) 0.7811(4) 0.2230(3) 0.0427(9) Uani d . 1 . .
    C C23 0.3685(4) 0.7879(4) 0.9349(3) 0.0433(9) Uani d . 1 . .
    C C24 0.7437(4) 0.5349(4) 0.1388(4) 0.0616(12) Uani d . 1 . .
    H H24 0.7029 0.5853 0.1946 0.074 Uiso calc R 1 . .
    C C25 0.6711(5) 0.5437(4) 0.0669(4) 0.0722(14) Uani d . 1 . .
    H H25 0.5858 0.5996 0.0740 0.087 Uiso calc R 1 . .
    C C26 0.7271(5) 0.4693(5) -0.0138(4) 0.0682(13) Uani d . 1 . .
    H H26 0.6796 0.4729 -0.0623 0.082 Uiso calc R 1 . .
    C C27 0.8558(5) 0.3876(4) -0.0237(3) 0.0573(11) Uani d . 1 . .
    C C28 0.9216(6) 0.3031(4) -0.1043(4) 0.0681(13) Uani d . 1 . .
    H H28 0.8778 0.3029 -0.1543 0.082 Uiso calc R 1 . .
    C C29 1.0447(5) 0.2242(4) -0.1097(3) 0.0665(13) Uani d . 1 . .
    H H29 1.0848 0.1709 -0.1634 0.080 Uiso calc R 1 . .
    C C30 1.1151(4) 0.2210(4) -0.0340(3) 0.0553(11) Uani d . 1 . .
    C C31 1.2429(5) 0.1412(4) -0.0338(4) 0.0658(13) Uani d . 1 . .
    H H31 1.2871 0.0861 -0.0860 0.079 Uiso calc R 1 . .
    C C32 1.3039(4) 0.1424(4) 0.0410(4) 0.0701(14) Uani d . 1 . .
    H H32 1.3894 0.0893 0.0399 0.084 Uiso calc R 1 . .
    C C33 1.2370(4) 0.2236(4) 0.1190(4) 0.0619(12) Uani d . 1 . .
    H H33 1.2771 0.2253 0.1709 0.074 Uiso calc R 1 . .
    C C34 1.0518(4) 0.3012(3) 0.0463(3) 0.0443(9) Uani d . 1 . .
    C C35 0.9205(4) 0.3860(3) 0.0532(3) 0.0461(10) Uani d . 1 . .
    C C36 1.0009(5) 0.6714(5) 0.4148(4) 0.0898(17) Uani d . 1 . .
    H H36A 1.0886 0.6601 0.4257 0.135 Uiso calc R 1 . .
    H H36B 0.9317 0.6835 0.4805 0.135 Uiso calc R 1 . .
    H H36C 0.9814 0.7402 0.3687 0.135 Uiso calc R 1 . .
    C C37 0.8717(5) 0.5550(5) 0.3679(4) 0.0930(18) Uani d . 1 . .
    H H37A 0.8869 0.4908 0.3244 0.139 Uiso calc R 1 . .
    H H37B 0.8205 0.6285 0.3408 0.139 Uiso calc R 1 . .
    H H37C 0.8213 0.5380 0.4376 0.139 Uiso calc R 1 . .
    C C38 1.1172(4) 0.4862(4) 0.3257(3) 0.0616(12) Uani d . 1 . .
    H H38 1.1981 0.4985 0.3278 0.074 Uiso calc R 1 . .
_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
    O1 C2 . 1.367(4) yes
    O1 H1 . 0.82 ?
    O2 C22 . 1.238(4) yes
    O3 C22 . 1.275(4) yes
    O3 H3 . 0.82 ?
    O4 C13 . 1.356(4) yes
    O4 H4 . 0.82 ?
    O5 C23 . 1.240(4) yes
    O6 C23 . 1.281(4) yes
    O7 C38 . 1.210(5) yes
    N1 C24 . 1.321(5) y
    N1 C35 . 1.349(5) y
    N2 C33 . 1.320(5) y
    N2 C34 . 1.350(5) y
    N2 H2N . 0.86 ?
    N3 C38 . 1.316(5) ?
    N3 C36 . 1.445(5) ?
    N3 C37 . 1.451(5) ?
    C1 C2 . 1.372(4) ?
    C1 C10 . 1.425(4) ?
    C1 C11 . 1.518(5) ?
    C2 C3 . 1.433(5) ?
    C3 C4 . 1.371(5) ?
    C3 C22 . 1.481(5) ?
    C4 C5 . 1.407(5) ?
    C4 H4A . 0.93 ?
    C5 C10 . 1.417(5) ?
    C5 C6 . 1.427(5) ?
    C6 C7 . 1.352(5) ?
    C6 H6 . 0.93 ?
    C7 C8 . 1.400(5) ?
    C7 H7 . 0.93 ?
    C8 C9 . 1.353(5) ?
    C8 H8 . 0.93 ?
    C9 C10 . 1.419(4) ?
    C9 H9 . 0.93 ?
    C11 C12 . 1.526(4) ?
    C11 H11A . 0.97 ?
    C11 H11B . 0.97 ?
    C12 C13 . 1.378(4) ?
    C12 C21 . 1.423(4) ?
    C13 C14 . 1.433(5) ?
    C14 C15 . 1.369(5) ?
    C14 C23 . 1.490(5) ?
    C15 C16 . 1.402(5) ?
    C15 H15 . 0.93 ?
    C16 C17 . 1.417(5) ?
    C16 C21 . 1.428(4) ?
    C17 C18 . 1.354(5) ?
    C17 H17 . 0.93 ?
    C18 C19 . 1.398(5) ?
    C18 H18 . 0.93 ?
    C19 C20 . 1.353(5) ?
    C19 H19 . 0.93 ?
    C20 C21 . 1.422(4) ?
    C20 H20 . 0.93 ?
    C24 C25 . 1.389(6) ?
    C24 H24 . 0.93 ?
    C25 C26 . 1.356(6) ?
    C25 H25 . 0.93 ?
    C26 C27 . 1.392(6) ?
    C26 H26 . 0.93 ?
    C27 C35 . 1.406(5) ?
    C27 C28 . 1.431(6) ?
    C28 C29 . 1.342(6) ?
    C28 H28 . 0.93 ?
    C29 C30 . 1.429(6) ?
    C29 H29 . 0.93 ?
    C30 C31 . 1.397(6) ?
    C30 C34 . 1.397(5) ?
    C31 C32 . 1.361(6) ?
    C31 H31 . 0.93 ?
    C32 C33 . 1.383(6) ?
    C32 H32 . 0.93 ?
    C33 H33 . 0.93 ?
    C34 C35 . 1.431(5) ?
    C36 H36A . 0.96 ?
    C36 H36B . 0.96 ?
    C36 H36C . 0.96 ?
    C37 H37A . 0.96 ?
    C37 H37B . 0.96 ?
    C37 H37C . 0.96 ?
    C38 H38 . 0.93 ?
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
    C2 O1 H1 . . 107.0 ?
    C22 O3 H3 . . 114.0 ?
    C13 O4 H4 . . 106.0 ?
    C24 N1 C35 . . 116.0(4) yes
    C33 N2 C34 . . 123.4(4) yes
    C33 N2 H2N . . 113.4 ?
    C34 N2 H2N . . 123.2 ?
    C38 N3 C36 . . 121.9(4) ?
    C38 N3 C37 . . 120.5(4) ?
    C36 N3 C37 . . 117.5(4) ?
    C2 C1 C10 . . 118.4(3) ?
    C2 C1 C11 . . 120.7(3) ?
    C10 C1 C11 . . 120.9(3) ?
    O1 C2 C1 . . 119.1(3) ?
    O1 C2 C3 . . 118.3(3) ?
    C1 C2 C3 . . 122.5(3) ?
    C4 C3 C2 . . 117.9(3) ?
    C4 C3 C22 . . 121.1(3) ?
    C2 C3 C22 . . 120.9(3) ?
    C3 C4 C5 . . 121.7(3) ?
    C3 C4 H4A . . 119.1 ?
    C5 C4 H4A . . 119.1 ?
    C4 C5 C10 . . 119.4(3) ?
    C4 C5 C6 . . 121.2(3) ?
    C10 C5 C6 . . 119.5(3) ?
    C7 C6 C5 . . 121.3(4) ?
    C7 C6 H6 . . 119.3 ?
    C5 C6 H6 . . 119.3 ?
    C6 C7 C8 . . 119.0(4) ?
    C6 C7 H7 . . 120.5 ?
    C8 C7 H7 . . 120.5 ?
    C9 C8 C7 . . 121.6(4) ?
    C9 C8 H8 . . 119.2 ?
    C7 C8 H8 . . 119.2 ?
    C8 C9 C10 . . 121.5(4) ?
    C8 C9 H9 . . 119.3 ?
    C10 C9 H9 . . 119.3 ?
    C5 C10 C9 . . 117.0(3) ?
    C5 C10 C1 . . 119.7(3) ?
    C9 C10 C1 . . 123.3(3) ?
    C1 C11 C12 . . 113.4(3) ?
    C1 C11 H11A . . 108.9 ?
    C12 C11 H11A . . 108.9 ?
    C1 C11 H11B . . 108.9 ?
    C12 C11 H11B . . 108.9 ?
    H11A C11 H11B . . 107.7 ?
    C13 C12 C21 . . 118.8(3) ?
    C13 C12 C11 . . 119.4(3) ?
    C21 C12 C11 . . 121.7(3) ?
    O4 C13 C12 . . 119.6(3) ?
    O4 C13 C14 . . 119.3(3) ?
    C12 C13 C14 . . 121.1(3) ?
    C15 C14 C13 . . 118.8(3) ?
    C15 C14 C23 . . 120.9(3) ?
    C13 C14 C23 . . 120.3(3) ?
    C14 C15 C16 . . 122.5(3) ?
    C14 C15 H15 . . 118.8 ?
    C16 C15 H15 . . 118.8 ?
    C15 C16 C17 . . 122.4(3) ?
    C15 C16 C21 . . 118.0(3) ?
    C17 C16 C21 . . 119.7(3) ?
    C18 C17 C16 . . 121.0(3) ?
    C18 C17 H17 . . 119.5 ?
    C16 C17 H17 . . 119.5 ?
    C17 C18 C19 . . 119.6(3) ?
    C17 C18 H18 . . 120.2 ?
    C19 C18 H18 . . 120.2 ?
    C20 C19 C18 . . 121.5(3) ?
    C20 C19 H19 . . 119.3 ?
    C18 C19 H19 . . 119.3 ?
    C19 C20 C21 . . 121.3(3) ?
    C19 C20 H20 . . 119.3 ?
    C21 C20 H20 . . 119.3 ?
    C20 C21 C12 . . 122.6(3) ?
    C20 C21 C16 . . 116.9(3) ?
    C12 C21 C16 . . 120.5(3) ?
    O2 C22 O3 . . 123.2(3) yes
    O2 C22 C3 . . 120.6(4) ?
    O3 C22 C3 . . 116.2(4) yes
    O5 C23 O6 . . 123.0(3) yes
    O5 C23 C14 . . 120.1(4) ?
    O6 C23 C14 . . 116.9(3) yes
    N1 C24 C25 . . 124.6(4) ?
    N1 C24 H24 . . 117.7 ?
    C25 C24 H24 . . 117.7 ?
    C26 C25 C24 . . 118.8(4) ?
    C26 C25 H25 . . 120.6 ?
    C24 C25 H25 . . 120.6 ?
    C25 C26 C27 . . 119.7(4) ?
    C25 C26 H26 . . 120.2 ?
    C27 C26 H26 . . 120.2 ?
    C26 C27 C35 . . 117.0(4) ?
    C26 C27 C28 . . 123.8(4) ?
    C35 C27 C28 . . 119.1(4) ?
    C29 C28 C27 . . 121.8(4) ?
    C29 C28 H28 . . 119.1 ?
    C27 C28 H28 . . 119.1 ?
    C28 C29 C30 . . 120.9(4) ?
    C28 C29 H29 . . 119.6 ?
    C30 C29 H29 . . 119.6 ?
    C31 C30 C34 . . 117.4(4) ?
    C31 C30 C29 . . 124.3(4) ?
    C34 C30 C29 . . 118.3(4) ?
    C32 C31 C30 . . 121.3(4) ?
    C32 C31 H31 . . 119.3 ?
    C30 C31 H31 . . 119.3 ?
    C31 C32 C33 . . 119.1(4) ?
    C31 C32 H32 . . 120.5 ?
    C33 C32 H32 . . 120.5 ?
    N2 C33 C32 . . 119.6(4) ?
    N2 C33 H33 . . 120.2 ?
    C32 C33 H33 . . 120.2 ?
    N2 C34 C30 . . 119.2(4) ?
    N2 C34 C35 . . 119.2(3) ?
    C30 C34 C35 . . 121.6(4) ?
    N1 C35 C27 . . 123.9(4) ?
    N1 C35 C34 . . 117.8(4) ?
    C27 C35 C34 . . 118.3(4) ?
    N3 C36 H36A . . 109.5 ?
    N3 C36 H36B . . 109.5 ?
    H36A C36 H36B . . 109.5 ?
    N3 C36 H36C . . 109.5 ?
    H36A C36 H36C . . 109.5 ?
    H36B C36 H36C . . 109.5 ?
    N3 C37 H37A . . 109.5 ?
    N3 C37 H37B . . 109.5 ?
    H37A C37 H37B . . 109.5 ?
    N3 C37 H37C . . 109.5 ?
    H37A C37 H37C . . 109.5 ?
    H37B C37 H37C . . 109.5 ?
    O7 C38 N3 . . 126.0(4) ?
    O7 C38 H38 . . 117.0 ?
    N3 C38 H38 . . 117.0 ?
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
    C10 C1 C2 O1 . . . . 175.5(3) ?
    C11 C1 C2 O1 . . . . -4.9(5) ?
    C10 C1 C2 C3 . . . . -7.2(5) ?
    C11 C1 C2 C3 . . . . 172.4(3) ?
    O1 C2 C3 C4 . . . . 179.9(3) ?
    C1 C2 C3 C4 . . . . 2.6(5) ?
    O1 C2 C3 C22 . . . . 1.7(5) ?
    C1 C2 C3 C22 . . . . -175.6(3) ?
    C2 C3 C4 C5 . . . . 2.5(5) ?
    C22 C3 C4 C5 . . . . -179.3(3) ?
    C3 C4 C5 C10 . . . . -2.7(5) ?
    C3 C4 C5 C6 . . . . 178.3(3) ?
    C4 C5 C6 C7 . . . . -180.0(3) ?
    C10 C5 C6 C7 . . . . 1.0(5) ?
    C5 C6 C7 C8 . . . . 1.3(6) ?
    C6 C7 C8 C9 . . . . -1.8(6) ?
    C7 C8 C9 C10 . . . . 0.0(5) ?
    C4 C5 C10 C9 . . . . 178.2(3) ?
    C6 C5 C10 C9 . . . . -2.7(5) ?
    C4 C5 C10 C1 . . . . -2.0(5) ?
    C6 C5 C10 C1 . . . . 177.0(3) ?
    C8 C9 C10 C5 . . . . 2.3(5) ?
    C8 C9 C10 C1 . . . . -177.5(3) ?
    C2 C1 C10 C5 . . . . 6.8(4) ?
    C11 C1 C10 C5 . . . . -172.8(3) ?
    C2 C1 C10 C9 . . . . -173.4(3) ?
    C11 C1 C10 C9 . . . . 6.9(5) ?
    C2 C1 C11 C12 . . . . -117.2(3) ?
    C10 C1 C11 C12 . . . . 62.5(4) ?
    C1 C11 C12 C13 . . . . -115.7(3) ?
    C1 C11 C12 C21 . . . . 65.7(4) ?
    C21 C12 C13 O4 . . . . 175.8(3) ?
    C11 C12 C13 O4 . . . . -2.9(5) ?
    C21 C12 C13 C14 . . . . -6.2(5) ?
    C11 C12 C13 C14 . . . . 175.1(3) ?
    O4 C13 C14 C15 . . . . -178.3(3) ?
    C12 C13 C14 C15 . . . . 3.7(5) ?
    O4 C13 C14 C23 . . . . 2.4(5) ?
    C12 C13 C14 C23 . . . . -175.6(3) ?
    C13 C14 C15 C16 . . . . 0.1(5) ?
    C23 C14 C15 C16 . . . . 179.4(3) ?
    C14 C15 C16 C17 . . . . 178.7(3) ?
    C14 C15 C16 C21 . . . . -1.2(5) ?
    C15 C16 C17 C18 . . . . 179.8(4) ?
    C21 C16 C17 C18 . . . . -0.3(5) ?
    C16 C17 C18 C19 . . . . 1.6(6) ?
    C17 C18 C19 C20 . . . . -1.4(6) ?
    C18 C19 C20 C21 . . . . -0.1(6) ?
    C19 C20 C21 C12 . . . . -178.5(3) ?
    C19 C20 C21 C16 . . . . 1.4(5) ?
    C13 C12 C21 C20 . . . . -175.1(3) ?
    C11 C12 C21 C20 . . . . 3.5(5) ?
    C13 C12 C21 C16 . . . . 5.0(5) ?
    C11 C12 C21 C16 . . . . -176.3(3) ?
    C15 C16 C21 C20 . . . . 178.8(3) ?
    C17 C16 C21 C20 . . . . -1.1(5) ?
    C15 C16 C21 C12 . . . . -1.4(5) ?
    C17 C16 C21 C12 . . . . 178.7(3) ?
    C4 C3 C22 O2 . . . . 176.9(3) ?
    C2 C3 C22 O2 . . . . -5.0(5) ?
    C4 C3 C22 O3 . . . . -3.6(5) ?
    C2 C3 C22 O3 . . . . 174.5(3) ?
    C15 C14 C23 O5 . . . . 179.4(3) ?
    C13 C14 C23 O5 . . . . -1.3(5) ?
    C15 C14 C23 O6 . . . . -1.3(5) ?
    C13 C14 C23 O6 . . . . 178.0(3) ?
    C35 N1 C24 C25 . . . . -1.9(6) ?
    N1 C24 C25 C26 . . . . 1.5(7) ?
    C24 C25 C26 C27 . . . . -0.9(7) ?
    C25 C26 C27 C35 . . . . 0.9(6) ?
    C25 C26 C27 C28 . . . . 178.1(4) ?
    C26 C27 C28 C29 . . . . -178.6(4) ?
    C35 C27 C28 C29 . . . . -1.5(6) ?
    C27 C28 C29 C30 . . . . 0.4(7) ?
    C28 C29 C30 C31 . . . . 179.6(4) ?
    C28 C29 C30 C34 . . . . 0.6(6) ?
    C34 C30 C31 C32 . . . . -0.6(6) ?
    C29 C30 C31 C32 . . . . -179.6(4) ?
    C30 C31 C32 C33 . . . . 0.6(7) ?
    C34 N2 C33 C32 . . . . 0.1(6) ?
    C31 C32 C33 N2 . . . . -0.3(7) ?
    C33 N2 C34 C30 . . . . 0.0(6) ?
    C33 N2 C34 C35 . . . . 179.9(3) ?
    C31 C30 C34 N2 . . . . 0.3(5) ?
    C29 C30 C34 N2 . . . . 179.3(4) ?
    C31 C30 C34 C35 . . . . -179.7(4) ?
    C29 C30 C34 C35 . . . . -0.6(6) ?
    C24 N1 C35 C27 . . . . 1.9(6) ?
    C24 N1 C35 C34 . . . . -178.3(3) ?
    C26 C27 C35 N1 . . . . -1.4(6) ?
    C28 C27 C35 N1 . . . . -178.8(4) ?
    C26 C27 C35 C34 . . . . 178.8(4) ?
    C28 C27 C35 C34 . . . . 1.4(6) ?
    N2 C34 C35 N1 . . . . -0.2(5) ?
    C30 C34 C35 N1 . . . . 179.8(3) ?
    N2 C34 C35 C27 . . . . 179.6(3) ?
    C30 C34 C35 C27 . . . . -0.4(5) ?
    C36 N3 C38 O7 . . . . -178.0(5) ?
    C37 N3 C38 O7 . . . . -1.0(8) ?
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
    N2 H2N O7 . 0.86 1.95 2.686(4) 143
    O4 H4 O5 . 0.82 1.77 2.530(3) 154
    O3 H3 O6 1_554 0.82 1.64 2.458(3) 176
    O1 H1 O2 . 0.82 1.78 2.534(4) 152
    C25 H25 O5 1_554 0.93 2.50 3.165(5) 129
    C9 H9 O4 . 0.93 2.32 3.232(4) 165
    C20 H20 O1 . 0.93 2.44 3.350(4) 167
data_global
_journal_date_recd_electronic     2006-11-28
_journal_date_accepted     2006-12-25
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue      2
_journal_page_first     o506
_journal_page_last     o508
_journal_paper_category     EO
_journal_coeditor_code     CI2243
_publ_contact_author_name     'Tong-Ming Shang'
_publ_contact_author_address
;
Jiangsu Key Laboratory of Precious Metals Chemistry
Jiangsu Teachers' University of Technology
Changzhou 213001
People's Republic of China
;
_publ_contact_author_email     shangtm@jstu.edu.cn
_publ_contact_author_fax     '86-519-6999821'
_publ_contact_author_phone     '86-519-6999672'
_publ_section_title
;
1,10-Phenanthrolin-1-ium pamoate N,N-dimethylformamide solvate
;
loop_
    _publ_author_name
    _publ_author_address
    'Tong-Ming Shang'
;
Jiangsu Key Laboratory of Precious Metals Chemistry
Jiangsu Teachers' University of Technology
Changzhou 213001
People's Republic of China
;
    'Quan-Fa Zhou'
;
Jiangsu Key Laboratory of Precious Metals Chemistry
Jiangsu Teachers' University of Technology
Changzhou 213001
People's Republic of China
;
    'Jian-Hua Sun'
;
Jiangsu Key Laboratory of Precious Metals Chemistry
Jiangsu Teachers' University of Technology
Changzhou 213001
People's Republic of China
;
