##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, 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 2.4.    #
#                                                                            #
# 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                                                              #
#                                                                            #
# 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_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Tris(1,10-phenanthroline-κ²N,N')cadmium(II) bis(perchlorate)
3.5-hydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C36 H24 Cd N6 2+, 2(Cl O4 -), 3.5(H2 O)'
_chemical_formula_sum     'C36 H31 Cd Cl2 N6 O11.50'
_chemical_formula_iupac     '[Cd (C12 H8 N2)3] (Cl O4)2, 3.5H2 O'
_chemical_formula_weight     914.97
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'C 2/c'
_symmetry_space_group_name_Hall     '-C 2yc'
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'
_cell_length_a     28.1954(15)
_cell_length_b     19.6534(11)
_cell_length_c     15.7245(9)
_cell_angle_alpha     90.00
_cell_angle_beta     121.3480(10)
_cell_angle_gamma     90.00
_cell_volume     7441.5(7)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     5668
_cell_measurement_theta_min     2.33
_cell_measurement_theta_max     22.42
_cell_measurement_temperature     296(2)
_exptl_crystal_description     block
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.32
_exptl_crystal_size_mid     0.12
_exptl_crystal_size_min     0.06
_exptl_crystal_density_diffrn     1.633
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     3704
_exptl_absorpt_coefficient_mu     0.802
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(SADABS; Bruker, 2008)'
_exptl_absorpt_correction_T_min     0.6415
_exptl_absorpt_correction_T_max     0.7453
_exptl_special_details
;
;
_diffrn_ambient_temperature     296(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 scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     23241
_diffrn_reflns_av_R_equivalents     0.0333
_diffrn_reflns_av_sigmaI/netI     0.0350
_diffrn_reflns_theta_min     2.33
_diffrn_reflns_theta_max     25.81
_diffrn_reflns_theta_full     25.81
_diffrn_measured_fraction_theta_max     0.972
_diffrn_measured_fraction_theta_full     0.972
_diffrn_reflns_limit_h_min     -34
_diffrn_reflns_limit_h_max     33
_diffrn_reflns_limit_k_min     -24
_diffrn_reflns_limit_k_max     24
_diffrn_reflns_limit_l_min     -19
_diffrn_reflns_limit_l_max     19
_diffrn_standards_number     ?
_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 >
σ(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     6960
_reflns_number_gt     5256
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0567
_refine_ls_R_factor_gt     0.0399
_refine_ls_wR_factor_gt     0.0991
_refine_ls_wR_factor_ref     0.1089
_refine_ls_goodness_of_fit_ref     1.050
_refine_ls_restrained_S_all     1.049
_refine_ls_number_reflns     6960
_refine_ls_number_parameters     532
_refine_ls_number_restraints     11
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0529P)²+6.7195P] 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     -0.526
_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'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cd' 'Cd' -0.8075 1.2024
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2008)'
_computing_cell_refinement     'SMART (Bruker, 2008)'
_computing_data_reduction     'SAINT (Bruker, 2008)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)
;
_computing_publication_material     'SHELXTL (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_disorder_assembly
    _atom_site_disorder_group
    Cd Cd1 0.127101(10) 0.228290(13) 0.124590(18) 0.04709(11) Uani d . 1 . .
    Cl Cl1 0.24764(4) 0.46305(5) 0.26160(8) 0.0665(3) Uani d . 1 . .
    Cl Cl2 0.0000 0.25791(8) 0.7500 0.0639(4) Uani d S 1 . .
    Cl Cl3 0.0000 0.16535(9) 0.2500 0.0823(5) Uani d S 1 . .
    N N1 0.14409(12) 0.31211(14) 0.0383(2) 0.0484(7) Uani d . 1 . .
    N N2 0.22167(11) 0.21882(14) 0.1621(2) 0.0462(7) Uani d . 1 . .
    N N3 0.09694(12) 0.12747(14) 0.0325(2) 0.0501(7) Uani d . 1 . .
    N N4 0.03039(12) 0.22849(15) 0.0332(2) 0.0504(7) Uani d . 1 . .
    N N5 0.13207(12) 0.31042(15) 0.2411(2) 0.0507(7) Uani d . 1 . .
    N N6 0.15441(12) 0.17408(16) 0.2763(2) 0.0545(7) Uani d . 1 . .
    C C1 0.10605(17) 0.3563(2) -0.0245(3) 0.0605(10) Uani d . 1 . .
    H H1A 0.0700 0.3526 -0.0376 0.073 Uiso calc R 1 . .
    C C2 0.1178(2) 0.4077(2) -0.0714(3) 0.0697(12) Uani d . 1 . .
    H H2A 0.0901 0.4374 -0.1152 0.084 Uiso calc R 1 . .
    C C3 0.1701(2) 0.4140(2) -0.0526(3) 0.0683(11) Uani d . 1 . .
    H H3A 0.1785 0.4482 -0.0835 0.082 Uiso calc R 1 . .
    C C4 0.21179(17) 0.36911(18) 0.0135(3) 0.0550(9) Uani d . 1 . .
    C C5 0.26730(19) 0.3725(2) 0.0355(3) 0.0672(11) Uani d . 1 . .
    H H5A 0.2773 0.4070 0.0073 0.081 Uiso calc R 1 . .
    C C6 0.30582(18) 0.3271(2) 0.0958(3) 0.0638(11) Uani d . 1 . .
    H H6A 0.3419 0.3308 0.1091 0.077 Uiso calc R 1 . .
    C C7 0.29176(14) 0.27298(18) 0.1401(3) 0.0506(9) Uani d . 1 . .
    C C8 0.32955(16) 0.2224(2) 0.1999(3) 0.0618(10) Uani d . 1 . .
    H H8A 0.3658 0.2235 0.2135 0.074 Uiso calc R 1 . .
    C C9 0.31324(15) 0.1718(2) 0.2380(3) 0.0622(10) Uani d . 1 . .
    H H9A 0.3378 0.1375 0.2767 0.075 Uiso calc R 1 . .
    C C10 0.25906(15) 0.17250(19) 0.2179(3) 0.0538(9) Uani d . 1 . .
    H H10A 0.2484 0.1382 0.2453 0.065 Uiso calc R 1 . .
    C C11 0.23741(14) 0.26869(16) 0.1220(2) 0.0426(7) Uani d . 1 . .
    C C12 0.19643(14) 0.31781(17) 0.0573(2) 0.0446(8) Uani d . 1 . .
    C C13 0.12889(18) 0.0782(2) 0.0321(3) 0.0643(10) Uani d . 1 . .
    H H13A 0.1672 0.0838 0.0709 0.077 Uiso calc R 1 . .
    C C14 0.1090(2) 0.0196(2) -0.0219(4) 0.0857(14) Uani d . 1 . .
    H H14A 0.1332 -0.0135 -0.0194 0.103 Uiso calc R 1 . .
    C C15 0.0531(3) 0.0105(2) -0.0793(4) 0.0951(16) Uani d . 1 . .
    H H15A 0.0388 -0.0287 -0.1174 0.114 Uiso calc R 1 . .
    C C16 0.01704(19) 0.0607(2) -0.0808(3) 0.0707(12) Uani d . 1 . .
    C C17 -0.0426(2) 0.0548(3) -0.1375(4) 0.0920(16) Uani d . 1 . .
    H H17A -0.0589 0.0168 -0.1775 0.110 Uiso calc R 1 . .
    C C18 -0.0748(2) 0.1027(3) -0.1339(4) 0.0874(15) Uani d . 1 . .
    H H18A -0.1131 0.0967 -0.1693 0.105 Uiso calc R 1 . .
    C C19 -0.05183(16) 0.1630(2) -0.0769(3) 0.0652(11) Uani d . 1 . .
    C C20 -0.08400(18) 0.2150(3) -0.0718(3) 0.0803(14) Uani d . 1 . .
    H H20A -0.1224 0.2106 -0.1057 0.096 Uiso calc R 1 . .
    C C21 -0.05956(19) 0.2718(3) -0.0176(4) 0.0805(14) Uani d . 1 . .
    H H21A -0.0809 0.3068 -0.0149 0.097 Uiso calc R 1 . .
    C C22 -0.00244(17) 0.2767(2) 0.0336(3) 0.0654(11) Uani d . 1 . .
    H H22A 0.0140 0.3159 0.0705 0.078 Uiso calc R 1 . .
    C C23 0.00612(14) 0.17196(19) -0.0223(2) 0.0499(8) Uani d . 1 . .
    C C24 0.04121(15) 0.11895(18) -0.0232(2) 0.0495(8) Uani d . 1 . .
    C C25 0.12016(16) 0.3761(2) 0.2246(3) 0.0604(10) Uani d . 1 . .
    H H25A 0.1069 0.3930 0.1609 0.073 Uiso calc R 1 . .
    C C26 0.12651(18) 0.4208(2) 0.2980(3) 0.0709(12) Uani d . 1 . .
    H H26A 0.1170 0.4664 0.2830 0.085 Uiso calc R 1 . .
    C C27 0.14660(17) 0.3977(2) 0.3912(3) 0.0691(11) Uani d . 1 . .
    H H27A 0.1514 0.4275 0.4411 0.083 Uiso calc R 1 . .
    C C28 0.16028(15) 0.3290(2) 0.4130(3) 0.0588(10) Uani d . 1 . .
    C C29 0.18277(17) 0.3013(3) 0.5104(3) 0.0708(12) Uani d . 1 . .
    H H29A 0.1886 0.3299 0.5621 0.085 Uiso calc R 1 . .
    C C30 0.19570(17) 0.2354(3) 0.5295(3) 0.0698(12) Uani d . 1 . .
    H H30A 0.2111 0.2192 0.5941 0.084 Uiso calc R 1 . .
    C C31 0.18593(15) 0.1893(2) 0.4506(3) 0.0617(10) Uani d . 1 . .
    C C32 0.19790(18) 0.1200(3) 0.4651(4) 0.0752(13) Uani d . 1 . .
    H H32A 0.2130 0.1014 0.5284 0.090 Uiso calc R 1 . .
    C C33 0.18769(19) 0.0791(2) 0.3871(4) 0.0786(13) Uani d . 1 . .
    H H33A 0.1955 0.0328 0.3964 0.094 Uiso calc R 1 . .
    C C34 0.16529(19) 0.1086(2) 0.2933(3) 0.0680(11) Uani d . 1 . .
    H H34A 0.1576 0.0806 0.2399 0.082 Uiso calc R 1 . .
    C C35 0.16442(14) 0.21519(19) 0.3535(3) 0.0498(9) Uani d . 1 . .
    C C36 0.15206(14) 0.28669(18) 0.3350(3) 0.0488(8) Uani d . 1 . .
    O O1 0.24582(15) 0.49883(16) 0.3388(2) 0.0908(10) Uani d . 1 . .
    O O2 0.29708(19) 0.4772(2) 0.2654(4) 0.1428(17) Uani d . 1 . .
    O O3 0.2459(2) 0.39283(19) 0.2750(3) 0.1343(17) Uani d . 1 . .
    O O4 0.2037(2) 0.4800(4) 0.1712(3) 0.192(3) Uani d . 1 . .
    O O5 0.01930(15) 0.2976(2) 0.6997(3) 0.1042(12) Uani d . 1 . .
    O O6 0.04525(18) 0.2184(2) 0.8220(3) 0.1268(16) Uani d . 1 . .
    O O7 0.0179(3) 0.1279(3) 0.1995(6) 0.225(4) Uani d . 1 . .
    O O8 0.0428(2) 0.2075(5) 0.3064(6) 0.261(5) Uani d . 1 . .
    O O1W 0.0478(3) 0.5682(2) 0.1695(4) 0.1402(17) Uani d D 1 . .
    H H1WA 0.035(4) 0.568(4) 0.1069(15) 0.210 Uiso d D 1 . .
    H H1WB 0.038(4) 0.605(2) 0.185(5) 0.210 Uiso d D 1 . .
    O O2W 0.1041(2) 0.5542(3) 0.0732(4) 0.1416(17) Uani d D 1 . .
    H H2WA 0.0746(19) 0.542(4) 0.019(4) 0.212 Uiso d D 1 . .
    H H2WB 0.128(2) 0.523(3) 0.088(6) 0.212 Uiso d D 1 . .
    O O3W -0.0216(2) 0.4588(3) 0.1158(4) 0.160(2) Uani d D 1 . .
    H H3WA -0.012(4) 0.429(3) 0.161(5) 0.240 Uiso d D 1 . .
    H H3WB 0.000(3) 0.493(3) 0.140(6) 0.240 Uiso d D 1 . .
    O O4W 0.0000 0.3506(3) 0.2500 0.1211(19) Uani d SD 1 . .
    H H4WA 0.0282(7) 0.3255(10) 0.269(6) 0.182 Uiso d D 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
    Cd1 N4 . 2.329(3) yes
    Cd1 N1 . 2.336(3) yes
    Cd1 N3 . 2.338(3) yes
    Cd1 N6 . 2.347(3) yes
    Cd1 N5 . 2.390(3) yes
    Cd1 N2 . 2.420(3) yes
    Cl1 O4 . 1.355(4) ?
    Cl1 O2 . 1.392(4) ?
    Cl1 O3 . 1.401(4) ?
    Cl1 O1 . 1.427(3) ?
    Cl2 O5 . 1.407(3) ?
    Cl2 O5 2_556 1.407(3) ?
    Cl2 O6 2_556 1.417(4) ?
    Cl2 O6 . 1.417(4) ?
    Cl3 O8 2 1.347(6) ?
    Cl3 O8 . 1.347(6) ?
    Cl3 O7 2 1.359(5) ?
    Cl3 O7 . 1.359(5) ?
    N1 C1 . 1.334(4) ?
    N1 C12 . 1.350(4) ?
    N2 C10 . 1.322(4) ?
    N2 C11 . 1.359(4) ?
    N3 C13 . 1.326(5) ?
    N3 C24 . 1.354(4) ?
    N4 C22 . 1.326(5) ?
    N4 C23 . 1.358(4) ?
    N5 C25 . 1.325(5) ?
    N5 C36 . 1.361(4) ?
    N6 C34 . 1.318(5) ?
    N6 C35 . 1.361(5) ?
    C1 C2 . 1.389(6) ?
    C1 H1A . 0.9300 ?
    C2 C3 . 1.349(6) ?
    C2 H2A . 0.9300 ?
    C3 C4 . 1.404(5) ?
    C3 H3A . 0.9300 ?
    C4 C12 . 1.409(5) ?
    C4 C5 . 1.418(6) ?
    C5 C6 . 1.343(6) ?
    C5 H5A . 0.9300 ?
    C6 C7 . 1.436(5) ?
    C6 H6A . 0.9300 ?
    C7 C8 . 1.402(5) ?
    C7 C11 . 1.407(5) ?
    C8 C9 . 1.358(6) ?
    C8 H8A . 0.9300 ?
    C9 C10 . 1.390(5) ?
    C9 H9A . 0.9300 ?
    C10 H10A . 0.9300 ?
    C11 C12 . 1.442(5) ?
    C13 C14 . 1.365(6) ?
    C13 H13A . 0.9300 ?
    C14 C15 . 1.360(7) ?
    C14 H14A . 0.9300 ?
    C15 C16 . 1.407(7) ?
    C15 H15A . 0.9300 ?
    C16 C24 . 1.398(5) ?
    C16 C17 . 1.442(7) ?
    C17 C18 . 1.330(7) ?
    C17 H17A . 0.9300 ?
    C18 C19 . 1.422(7) ?
    C18 H18A . 0.9300 ?
    C19 C20 . 1.396(6) ?
    C19 C23 . 1.406(5) ?
    C20 C21 . 1.355(7) ?
    C20 H20A . 0.9300 ?
    C21 C22 . 1.379(6) ?
    C21 H21A . 0.9300 ?
    C22 H22A . 0.9300 ?
    C23 C24 . 1.442(5) ?
    C25 C26 . 1.386(5) ?
    C25 H25A . 0.9300 ?
    C26 C27 . 1.346(6) ?
    C26 H26A . 0.9300 ?
    C27 C28 . 1.398(6) ?
    C27 H27A . 0.9300 ?
    C28 C36 . 1.397(5) ?
    C28 C29 . 1.426(6) ?
    C29 C30 . 1.336(6) ?
    C29 H29A . 0.9300 ?
    C30 C31 . 1.442(6) ?
    C30 H30A . 0.9300 ?
    C31 C32 . 1.392(6) ?
    C31 C35 . 1.412(5) ?
    C32 C33 . 1.366(6) ?
    C32 H32A . 0.9300 ?
    C33 C34 . 1.394(6) ?
    C33 H33A . 0.9300 ?
    C34 H34A . 0.9300 ?
    C35 C36 . 1.441(5) ?
    O1W H1WA . 0.85(3) ?
    O1W H1WB . 0.85(6) ?
    O2W H2WA . 0.86(6) ?
    O2W H2WB . 0.85(7) ?
    O3W H3WA . 0.85(6) ?
    O3W H3WB . 0.85(8) ?
    O4W H4WA . 0.85(5) ?
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
    N4 Cd1 N1 . . 99.70(10) ?
    N4 Cd1 N3 . . 71.79(10) ?
    N1 Cd1 N3 . . 110.88(10) ?
    N4 Cd1 N6 . . 106.72(10) ?
    N1 Cd1 N6 . . 148.46(10) ?
    N3 Cd1 N6 . . 93.79(10) ?
    N4 Cd1 N5 . . 93.13(10) ?
    N1 Cd1 N5 . . 91.19(10) ?
    N3 Cd1 N5 . . 154.75(10) ?
    N6 Cd1 N5 . . 70.74(10) ?
    N4 Cd1 N2 . . 159.81(10) ?
    N1 Cd1 N2 . . 70.31(10) ?
    N3 Cd1 N2 . . 94.90(9) ?
    N6 Cd1 N2 . . 88.85(10) ?
    N5 Cd1 N2 . . 104.32(9) ?
    O4 Cl1 O2 . . 110.1(4) ?
    O4 Cl1 O3 . . 108.4(4) ?
    O2 Cl1 O3 . . 107.6(3) ?
    O4 Cl1 O1 . . 110.7(3) ?
    O2 Cl1 O1 . . 110.1(3) ?
    O3 Cl1 O1 . . 109.7(2) ?
    O5 Cl2 O5 . 2_556 112.6(4) ?
    O5 Cl2 O6 . 2_556 107.7(2) ?
    O5 Cl2 O6 2_556 2_556 107.6(2) ?
    O5 Cl2 O6 . . 107.6(2) ?
    O5 Cl2 O6 2_556 . 107.7(2) ?
    O6 Cl2 O6 2_556 . 113.6(4) ?
    O8 Cl3 O8 2 . 104.1(8) ?
    O8 Cl3 O7 2 2 103.9(4) ?
    O8 Cl3 O7 . 2 115.2(5) ?
    O8 Cl3 O7 2 . 115.2(5) ?
    O8 Cl3 O7 . . 103.9(4) ?
    O7 Cl3 O7 2 . 114.4(6) ?
    C1 N1 C12 . . 118.3(3) ?
    C1 N1 Cd1 . . 124.1(3) ?
    C12 N1 Cd1 . . 117.5(2) ?
    C10 N2 C11 . . 117.7(3) ?
    C10 N2 Cd1 . . 127.7(2) ?
    C11 N2 Cd1 . . 114.6(2) ?
    C13 N3 C24 . . 118.0(3) ?
    C13 N3 Cd1 . . 126.4(3) ?
    C24 N3 Cd1 . . 115.6(2) ?
    C22 N4 C23 . . 117.9(3) ?
    C22 N4 Cd1 . . 126.5(3) ?
    C23 N4 Cd1 . . 115.6(2) ?
    C25 N5 C36 . . 117.7(3) ?
    C25 N5 Cd1 . . 126.9(3) ?
    C36 N5 Cd1 . . 115.3(2) ?
    C34 N6 C35 . . 118.7(3) ?
    C34 N6 Cd1 . . 124.6(3) ?
    C35 N6 Cd1 . . 116.4(2) ?
    N1 C1 C2 . . 123.0(4) ?
    N1 C1 H1A . . 118.5 ?
    C2 C1 H1A . . 118.5 ?
    C3 C2 C1 . . 119.0(4) ?
    C3 C2 H2A . . 120.5 ?
    C1 C2 H2A . . 120.5 ?
    C2 C3 C4 . . 120.2(4) ?
    C2 C3 H3A . . 119.9 ?
    C4 C3 H3A . . 119.9 ?
    C3 C4 C12 . . 117.4(4) ?
    C3 C4 C5 . . 123.0(4) ?
    C12 C4 C5 . . 119.7(4) ?
    C6 C5 C4 . . 121.7(4) ?
    C6 C5 H5A . . 119.1 ?
    C4 C5 H5A . . 119.1 ?
    C5 C6 C7 . . 120.6(4) ?
    C5 C6 H6A . . 119.7 ?
    C7 C6 H6A . . 119.7 ?
    C8 C7 C11 . . 117.5(3) ?
    C8 C7 C6 . . 123.1(4) ?
    C11 C7 C6 . . 119.5(3) ?
    C9 C8 C7 . . 120.1(4) ?
    C9 C8 H8A . . 120.0 ?
    C7 C8 H8A . . 120.0 ?
    C8 C9 C10 . . 118.5(4) ?
    C8 C9 H9A . . 120.8 ?
    C10 C9 H9A . . 120.8 ?
    N2 C10 C9 . . 124.1(4) ?
    N2 C10 H10A . . 118.0 ?
    C9 C10 H10A . . 118.0 ?
    N2 C11 C7 . . 122.2(3) ?
    N2 C11 C12 . . 118.4(3) ?
    C7 C11 C12 . . 119.4(3) ?
    N1 C12 C4 . . 122.0(3) ?
    N1 C12 C11 . . 118.9(3) ?
    C4 C12 C11 . . 119.1(3) ?
    N3 C13 C14 . . 124.0(4) ?
    N3 C13 H13A . . 118.0 ?
    C14 C13 H13A . . 118.0 ?
    C15 C14 C13 . . 118.8(4) ?
    C15 C14 H14A . . 120.6 ?
    C13 C14 H14A . . 120.6 ?
    C14 C15 C16 . . 119.8(4) ?
    C14 C15 H15A . . 120.1 ?
    C16 C15 H15A . . 120.1 ?
    C24 C16 C15 . . 117.3(4) ?
    C24 C16 C17 . . 119.0(4) ?
    C15 C16 C17 . . 123.7(5) ?
    C18 C17 C16 . . 121.4(5) ?
    C18 C17 H17A . . 119.3 ?
    C16 C17 H17A . . 119.3 ?
    C17 C18 C19 . . 121.3(4) ?
    C17 C18 H18A . . 119.4 ?
    C19 C18 H18A . . 119.4 ?
    C20 C19 C23 . . 117.2(4) ?
    C20 C19 C18 . . 123.3(4) ?
    C23 C19 C18 . . 119.6(4) ?
    C21 C20 C19 . . 120.4(4) ?
    C21 C20 H20A . . 119.8 ?
    C19 C20 H20A . . 119.8 ?
    C20 C21 C22 . . 118.8(4) ?
    C20 C21 H21A . . 120.6 ?
    C22 C21 H21A . . 120.6 ?
    N4 C22 C21 . . 123.6(4) ?
    N4 C22 H22A . . 118.2 ?
    C21 C22 H22A . . 118.2 ?
    N4 C23 C19 . . 122.1(4) ?
    N4 C23 C24 . . 118.6(3) ?
    C19 C23 C24 . . 119.3(4) ?
    N3 C24 C16 . . 122.1(4) ?
    N3 C24 C23 . . 118.4(3) ?
    C16 C24 C23 . . 119.5(4) ?
    N5 C25 C26 . . 123.0(4) ?
    N5 C25 H25A . . 118.5 ?
    C26 C25 H25A . . 118.5 ?
    C27 C26 C25 . . 119.4(4) ?
    C27 C26 H26A . . 120.3 ?
    C25 C26 H26A . . 120.3 ?
    C26 C27 C28 . . 120.0(4) ?
    C26 C27 H27A . . 120.0 ?
    C28 C27 H27A . . 120.0 ?
    C36 C28 C27 . . 117.4(4) ?
    C36 C28 C29 . . 119.6(4) ?
    C27 C28 C29 . . 122.9(4) ?
    C30 C29 C28 . . 121.8(4) ?
    C30 C29 H29A . . 119.1 ?
    C28 C29 H29A . . 119.1 ?
    C29 C30 C31 . . 120.6(4) ?
    C29 C30 H30A . . 119.7 ?
    C31 C30 H30A . . 119.7 ?
    C32 C31 C35 . . 117.4(4) ?
    C32 C31 C30 . . 123.6(4) ?
    C35 C31 C30 . . 119.0(4) ?
    C33 C32 C31 . . 120.6(4) ?
    C33 C32 H32A . . 119.7 ?
    C31 C32 H32A . . 119.7 ?
    C32 C33 C34 . . 118.2(4) ?
    C32 C33 H33A . . 120.9 ?
    C34 C33 H33A . . 120.9 ?
    N6 C34 C33 . . 123.4(4) ?
    N6 C34 H34A . . 118.3 ?
    C33 C34 H34A . . 118.3 ?
    N6 C35 C31 . . 121.6(4) ?
    N6 C35 C36 . . 118.9(3) ?
    C31 C35 C36 . . 119.5(4) ?
    N5 C36 C28 . . 122.4(3) ?
    N5 C36 C35 . . 118.3(3) ?
    C28 C36 C35 . . 119.4(3) ?
    H1WA O1W H1WB . . 109(7) ?
    H2WA O2W H2WB . . 107(7) ?
    H3WA O3W H3WB . . 109(7) ?
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
    O1W H1WA O2W . 0.85(3) 2.30(9) 2.718(9) 111(7)
    O1W H1WB O5 6_565 0.85(6) 2.03(6) 2.868(6) 167(8)
    O2W H2WA O3W 5_565 0.86(6) 1.85(4) 2.667(7) 158(10)
    O2W H2WB O4 . 0.85(7) 2.02(7) 2.808(6) 155(7)
    O3W H3WA O4W . 0.85(6) 1.99(7) 2.831(7) 170(9)
    O3W H3WB O1W . 0.85(8) 1.89(7) 2.728(8) 168(10)
    O4W H4WA O8 . 0.85(5) 2.38(3) 3.006(11) 131(2)
data_global
_journal_date_recd_electronic     2009-12-09
_journal_date_accepted     2010-02-04
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2010
_journal_volume     66
_journal_issue      4
_journal_page_first     m104
_journal_page_last     m106
_journal_paper_category     FM
_journal_coeditor_code     SK3355
_publ_contact_author_name     'Dr. Zi-Yi Du'
_publ_contact_author_address
;
 College of Chemistry and Life Science,
 Gannan Normal University,
 Ganzhou, Jiangxi 341000, People's Republic of China
;
_publ_contact_author_email     'ziyidu@gmail.com'
_publ_contact_author_fax     ?
_publ_contact_author_phone     '+86-797-8393670'
_publ_section_title
;
Tris(1,10-phenanthroline-κ²N,N')cadmium(II) bis(perchlorate)
3.5-hydrate: a water chain stabilized by three types of perchlorate anions
;
loop_
    _publ_author_name
    _publ_author_address
    'Zi-Yi Du'
;
College of Chemistry and Life Science,
Gannan Normal University,
Ganzhou, Jiangxi 341000, People's Republic of China
;
    'Yu-Hui Sun'
;
College of Chemistry and Life Science,
Gannan Normal University,
Ganzhou, Jiangxi 341000, People's Republic of China
;
    'Shi-Yong Zhang'
;
College of Chemistry and Life Science,
Gannan Normal University,
Ganzhou, Jiangxi 341000, People's Republic of China
;
    'Yan-Fang He'
;
College of Chemistry and Life Science,
Gannan Normal University,
Ganzhou, Jiangxi 341000, People's Republic of China
;
    'Zhong-Gao Zhou'
;
College of Chemistry and Life Science,
Gannan Normal University,
Ganzhou, Jiangxi 341000, People's Republic of China
;
