##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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                #
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##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Tris(1,10-phenanthroline-κ²N,N')zinc(II) bis(perchlorate) ethanol solvate
monohydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C36 H24 N6 Zn 2+, 2Cl O4 -, C2 H6 O, H2 O'
_chemical_formula_sum     'C38 H32 Cl2 N6 O10 Zn'
_chemical_formula_iupac     '[Zn (C12 H8 N2)3] (Cl O4)2, C2 H6 O, H2 O'
_chemical_formula_weight     868.97
_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     11.313(2)
_cell_length_b     12.907(3)
_cell_length_c     14.483(3)
_cell_angle_alpha     83.049(3)
_cell_angle_beta     76.301(3)
_cell_angle_gamma     68.085(3)
_cell_volume     1905.0(7)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     1357
_cell_measurement_theta_min     2.768
_cell_measurement_theta_max     18.764
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.515
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     892
_exptl_absorpt_coefficient_mu     0.852
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2000)'
_exptl_absorpt_correction_T_min     0.7841
_exptl_absorpt_correction_T_max     0.9196
_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 APEX CCD'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     9332
_diffrn_reflns_av_R_equivalents     0.0417
_diffrn_reflns_av_sigmaI/netI     0.1254
_diffrn_reflns_theta_min     2.10
_diffrn_reflns_theta_max     25.01
_diffrn_reflns_theta_full     25.01
_diffrn_measured_fraction_theta_max     0.975
_diffrn_measured_fraction_theta_full     0.975
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     17
_diffrn_standards_number     0
_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 > 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     6568
_reflns_number_gt     3678
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1459
_refine_ls_R_factor_gt     0.0851
_refine_ls_wR_factor_gt     0.1442
_refine_ls_wR_factor_ref     0.1684
_refine_ls_goodness_of_fit_ref     1.003
_refine_ls_restrained_S_all     1.003
_refine_ls_number_reflns     6568
_refine_ls_number_parameters     515
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
             'calc w = 1/[σ²(Fo²)+(0.0546P)²] 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     0.489
_refine_diff_density_min     -0.339
_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'
    'Zn' 'Zn' 0.2839 1.4301
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2000)'
_computing_cell_refinement     'SAINT (Bruker, 2000)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL/PC (Sheldrick, 1999)'
_computing_publication_material     'SHELXTL/PC'
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
    Zn1 0.77928(7) 0.80788(6) 0.73000(5) 0.0478(3) Uani d . 1 . . Zn
    Cl1 0.2690(2) 0.72269(19) 0.83715(15) 0.0798(6) Uani d . 1 . . Cl
    Cl2 0.4411(2) 0.28407(19) 0.67366(16) 0.0830(6) Uani d . 1 . . Cl
    O1 0.3753(7) 0.7145(5) 0.8750(4) 0.130(2) Uani d . 1 . . O
    O2 0.1589(7) 0.7519(7) 0.9074(5) 0.178(3) Uani d . 1 . . O
    O3 0.2880(8) 0.6168(6) 0.8100(4) 0.159(3) Uani d . 1 . . O
    O4 0.2581(6) 0.7966(5) 0.7583(4) 0.108(2) Uani d . 1 . . O
    O5 0.3433(6) 0.3354(5) 0.7505(4) 0.133(2) Uani d . 1 . . O
    O6 0.4022(7) 0.2165(5) 0.6286(6) 0.150(3) Uani d . 1 . . O
    O7 0.4679(5) 0.3663(5) 0.6082(4) 0.1018(18) Uani d . 1 . . O
    O8 0.5558(6) 0.2177(6) 0.7056(4) 0.140(3) Uani d . 1 . . O
    O9 0.0326(14) 0.2200(13) 0.9264(11) 0.370(8) Uani d . 1 . . O
    H9B -0.0295 0.2303 0.9779 0.554 Uiso d . 1 . . H
    H9A 0.0412 0.2679 0.8780 0.554 Uiso d . 1 . . H
    O10 0.9351(11) 0.6300(12) 0.2234(9) 0.270(6) Uani d . 1 . . O
    H10A 0.8569 0.6473 0.2333 0.406 Uiso d . 1 . . H
    N1 0.8154(5) 0.9227(4) 0.8070(3) 0.0491(13) Uani d . 1 . . N
    N2 0.5848(5) 0.9164(4) 0.7929(3) 0.0524(14) Uani d . 1 . . N
    N3 0.8021(5) 0.6842(4) 0.8473(4) 0.0536(14) Uani d . 1 . . N
    N4 0.7095(5) 0.6890(4) 0.6922(4) 0.0524(14) Uani d . 1 . . N
    N5 0.9770(5) 0.7369(5) 0.6522(4) 0.0546(14) Uani d . 1 . . N
    N6 0.7787(6) 0.9050(4) 0.5961(3) 0.0562(15) Uani d . 1 . . N
    C1 0.9265(7) 0.9231(6) 0.8179(5) 0.067(2) Uani d . 1 . . C
    H1 1.0024 0.8678 0.7892 0.081 Uiso calc R 1 . . H
    C2 0.9381(9) 1.0019(7) 0.8703(5) 0.080(2) Uani d . 1 . . C
    H2 1.0197 0.9997 0.8745 0.096 Uiso calc R 1 . . H
    C3 0.8292(10) 1.0811(7) 0.9144(5) 0.082(2) Uani d . 1 . . C
    H3 0.8348 1.1335 0.9504 0.098 Uiso calc R 1 . . H
    C4 0.7085(8) 1.0836(6) 0.9058(4) 0.0618(19) Uani d . 1 . . C
    C5 0.7034(7) 1.0029(5) 0.8537(4) 0.0515(17) Uani d . 1 . . C
    C6 0.5828(7) 0.9989(5) 0.8437(4) 0.0507(17) Uani d . 1 . . C
    C7 0.5886(10) 1.1650(7) 0.9513(5) 0.083(3) Uani d . 1 . . C
    H7 0.5898 1.2196 0.9872 0.100 Uiso calc R 1 . . H
    C8 0.4766(9) 1.1621(6) 0.9422(5) 0.081(2) Uani d . 1 . . C
    H8 0.4003 1.2161 0.9720 0.097 Uiso calc R 1 . . H
    C9 0.4660(8) 1.0806(6) 0.8891(5) 0.0623(19) Uani d . 1 . . C
    C10 0.3506(8) 1.0754(7) 0.8772(5) 0.079(2) Uani d . 1 . . C
    H10 0.2714 1.1279 0.9049 0.095 Uiso calc R 1 . . H
    C11 0.3525(8) 0.9946(7) 0.8258(6) 0.080(2) Uani d . 1 . . C
    H11 0.2750 0.9913 0.8173 0.096 Uiso calc R 1 . . H
    C12 0.4709(8) 0.9164(6) 0.7855(5) 0.068(2) Uani d . 1 . . C
    H12 0.4700 0.8605 0.7512 0.082 Uiso calc R 1 . . H
    C13 0.8538(7) 0.6804(6) 0.9220(5) 0.0633(19) Uani d . 1 . . C
    H13 0.8970 0.7292 0.9219 0.076 Uiso calc R 1 . . H
    C14 0.8462(8) 0.6074(7) 0.9997(5) 0.079(2) Uani d . 1 . . C
    H14 0.8820 0.6076 1.0512 0.095 Uiso calc R 1 . . H
    C15 0.7852(8) 0.5362(7) 0.9978(5) 0.083(2) Uani d . 1 . . C
    H15 0.7778 0.4870 1.0495 0.100 Uiso calc R 1 . . H
    C16 0.7321(7) 0.5344(6) 0.9190(5) 0.068(2) Uani d . 1 . . C
    C17 0.7455(6) 0.6125(5) 0.8435(4) 0.0513(17) Uani d . 1 . . C
    C18 0.6958(6) 0.6122(5) 0.7617(5) 0.0512(17) Uani d . 1 . . C
    C19 0.6712(9) 0.4587(7) 0.9110(7) 0.094(3) Uani d . 1 . . C
    H19 0.6619 0.4084 0.9614 0.113 Uiso calc R 1 . . H
    C20 0.6263(8) 0.4571(7) 0.8334(7) 0.094(3) Uani d . 1 . . C
    H20 0.5863 0.4068 0.8302 0.113 Uiso calc R 1 . . H
    C21 0.6410(7) 0.5343(6) 0.7554(6) 0.070(2) Uani d . 1 . . C
    C22 0.5976(8) 0.5386(7) 0.6725(7) 0.092(3) Uani d . 1 . . C
    H22 0.5591 0.4885 0.6656 0.110 Uiso calc R 1 . . H
    C23 0.6104(8) 0.6150(8) 0.6015(6) 0.089(3) Uani d . 1 . . C
    H23 0.5812 0.6178 0.5460 0.107 Uiso calc R 1 . . H
    C24 0.6680(7) 0.6886(6) 0.6136(5) 0.070(2) Uani d . 1 . . C
    H24 0.6782 0.7402 0.5646 0.084 Uiso calc R 1 . . H
    C25 1.0747(8) 0.6533(6) 0.6791(5) 0.068(2) Uani d . 1 . . C
    H25 1.0594 0.6188 0.7386 0.082 Uiso calc R 1 . . H
    C26 1.1986(8) 0.6147(7) 0.6228(7) 0.086(2) Uani d . 1 . . C
    H26 1.2639 0.5544 0.6439 0.103 Uiso calc R 1 . . H
    C27 1.2236(8) 0.6643(8) 0.5387(7) 0.086(3) Uani d . 1 . . C
    H27 1.3071 0.6391 0.5010 0.103 Uiso calc R 1 . . H
    C28 1.1260(9) 0.7536(7) 0.5062(5) 0.071(2) Uani d . 1 . . C
    C29 1.0013(7) 0.7872(6) 0.5651(5) 0.0547(18) Uani d . 1 . . C
    C30 0.8949(8) 0.8759(6) 0.5369(4) 0.0588(19) Uani d . 1 . . C
    C31 1.1431(11) 0.8086(11) 0.4173(7) 0.111(4) Uani d . 1 . . C
    H31 1.2243 0.7856 0.3764 0.133 Uiso calc R 1 . . H
    C32 1.0458(12) 0.8925(10) 0.3906(6) 0.105(4) Uani d . 1 . . C
    H32 1.0621 0.9284 0.3319 0.126 Uiso calc R 1 . . H
    C33 0.9171(10) 0.9310(8) 0.4472(5) 0.080(2) Uani d . 1 . . C
    C34 0.8102(12) 1.0152(8) 0.4217(6) 0.102(3) Uani d . 1 . . C
    H34 0.8192 1.0506 0.3620 0.122 Uiso calc R 1 . . H
    C35 0.6942(10) 1.0466(7) 0.4814(6) 0.092(3) Uani d . 1 . . C
    H35 0.6239 1.1053 0.4644 0.111 Uiso calc R 1 . . H
    C36 0.6793(8) 0.9892(6) 0.5709(5) 0.077(2) Uani d . 1 . . C
    H36 0.5986 1.0110 0.6126 0.092 Uiso calc R 1 . . H
    C37 0.9581(17) 0.6197(16) 0.3679(14) 0.235(9) Uani d . 1 . . C
    H37A 0.8729 0.6452 0.4082 0.352 Uiso calc R 1 . . H
    H37B 1.0205 0.6242 0.4006 0.352 Uiso calc R 1 . . H
    H37C 0.9805 0.5436 0.3521 0.352 Uiso calc R 1 . . H
    C38 0.959(3) 0.689(3) 0.2820(19) 0.40(3) Uani d . 1 . . C
    H38A 0.8911 0.7621 0.2917 0.485 Uiso calc R 1 . . H
    H38B 1.0425 0.6973 0.2585 0.485 Uiso calc R 1 . . H
_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
    Zn1 N4 . 2.142(5) Y
    Zn1 N5 . 2.154(5) Y
    Zn1 N1 . 2.162(5) Y
    Zn1 N2 . 2.166(5) Y
    Zn1 N6 . 2.178(5) Y
    Zn1 N3 . 2.179(5) Y
    Cl1 O2 . 1.368(7) ?
    Cl1 O3 . 1.393(6) ?
    Cl1 O4 . 1.395(5) ?
    Cl1 O1 . 1.401(6) ?
    Cl2 O6 . 1.394(6) ?
    Cl2 O5 . 1.396(6) ?
    Cl2 O7 . 1.406(5) ?
    Cl2 O8 . 1.411(6) ?
    O9 H9B . 0.8790 ?
    O9 H9A . 0.8893 ?
    O10 C38 . 1.34(2) ?
    O10 H10A . 0.8079 ?
    N1 C1 . 1.305(7) ?
    N1 C5 . 1.386(7) ?
    N2 C12 . 1.317(8) ?
    N2 C6 . 1.357(7) ?
    N3 C17 . 1.320(7) ?
    N3 C13 . 1.333(7) ?
    N4 C24 . 1.331(7) ?
    N4 C18 . 1.349(7) ?
    N5 C25 . 1.323(8) ?
    N5 C29 . 1.364(7) ?
    N6 C36 . 1.329(8) ?
    N6 C30 . 1.335(8) ?
    C1 C2 . 1.400(9) ?
    C1 H1 . 0.9300 ?
    C2 C3 . 1.348(10) ?
    C2 H2 . 0.9300 ?
    C3 C4 . 1.388(10) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.383(8) ?
    C4 C7 . 1.435(10) ?
    C5 C6 . 1.426(8) ?
    C6 C9 . 1.417(9) ?
    C7 C8 . 1.318(10) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.430(9) ?
    C8 H8 . 0.9300 ?
    C9 C10 . 1.384(9) ?
    C10 C11 . 1.343(9) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.384(9) ?
    C11 H11 . 0.9300 ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.386(8) ?
    C13 H13 . 0.9300 ?
    C14 C15 . 1.346(9) ?
    C14 H14 . 0.9300 ?
    C15 C16 . 1.417(10) ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.415(8) ?
    C16 C19 . 1.418(10) ?
    C17 C18 . 1.427(8) ?
    C18 C21 . 1.385(8) ?
    C19 C20 . 1.344(10) ?
    C19 H19 . 0.9300 ?
    C20 C21 . 1.434(10) ?
    C20 H20 . 0.9300 ?
    C21 C22 . 1.388(9) ?
    C22 C23 . 1.358(9) ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.384(9) ?
    C23 H23 . 0.9300 ?
    C24 H24 . 0.9300 ?
    C25 C26 . 1.383(9) ?
    C25 H25 . 0.9300 ?
    C26 C27 . 1.326(10) ?
    C26 H26 . 0.9300 ?
    C27 C28 . 1.390(10) ?
    C27 H27 . 0.9300 ?
    C28 C31 . 1.401(11) ?
    C28 C29 . 1.403(9) ?
    C29 C30 . 1.421(9) ?
    C30 C33 . 1.418(9) ?
    C31 C32 . 1.321(12) ?
    C31 H31 . 0.9300 ?
    C32 C33 . 1.425(12) ?
    C32 H32 . 0.9300 ?
    C33 C34 . 1.384(11) ?
    C34 C35 . 1.335(11) ?
    C34 H34 . 0.9300 ?
    C35 C36 . 1.420(9) ?
    C35 H35 . 0.9300 ?
    C36 H36 . 0.9300 ?
    C37 C38 . 1.44(3) ?
    C37 H37A . 0.9600 ?
    C37 H37B . 0.9600 ?
    C37 H37C . 0.9600 ?
    C38 H38A . 0.9700 ?
    C38 H38B . 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
    N4 Zn1 N5 . . 97.02(18) ?
    N4 Zn1 N1 . . 163.66(18) ?
    N5 Zn1 N1 . . 95.5(2) ?
    N4 Zn1 N2 . . 92.6(2) ?
    N5 Zn1 N2 . . 166.28(19) ?
    N1 Zn1 N2 . . 77.1(2) ?
    N4 Zn1 N6 . . 97.15(19) ?
    N5 Zn1 N6 . . 76.6(2) ?
    N1 Zn1 N6 . . 95.95(17) ?
    N2 Zn1 N6 . . 92.5(2) ?
    N4 Zn1 N3 . . 76.7(2) ?
    N5 Zn1 N3 . . 95.3(2) ?
    N1 Zn1 N3 . . 91.74(19) ?
    N2 Zn1 N3 . . 96.43(18) ?
    N6 Zn1 N3 . . 169.3(2) ?
    O2 Cl1 O3 . . 106.4(5) ?
    O2 Cl1 O4 . . 112.7(4) ?
    O3 Cl1 O4 . . 109.4(4) ?
    O2 Cl1 O1 . . 108.9(5) ?
    O3 Cl1 O1 . . 108.0(5) ?
    O4 Cl1 O1 . . 111.2(3) ?
    O6 Cl2 O5 . . 110.5(4) ?
    O6 Cl2 O7 . . 109.2(4) ?
    O5 Cl2 O7 . . 109.5(4) ?
    O6 Cl2 O8 . . 109.0(5) ?
    O5 Cl2 O8 . . 110.0(4) ?
    O7 Cl2 O8 . . 108.7(4) ?
    H9B O9 H9A . . 128.7 ?
    C38 O10 H10A . . 106.5 ?
    C1 N1 C5 . . 117.0(6) ?
    C1 N1 Zn1 . . 128.9(5) ?
    C5 N1 Zn1 . . 114.1(4) ?
    C12 N2 C6 . . 116.5(6) ?
    C12 N2 Zn1 . . 129.8(5) ?
    C6 N2 Zn1 . . 113.6(4) ?
    C17 N3 C13 . . 119.7(6) ?
    C17 N3 Zn1 . . 111.8(4) ?
    C13 N3 Zn1 . . 128.2(5) ?
    C24 N4 C18 . . 117.5(6) ?
    C24 N4 Zn1 . . 128.1(5) ?
    C18 N4 Zn1 . . 114.1(4) ?
    C25 N5 C29 . . 117.8(6) ?
    C25 N5 Zn1 . . 128.1(5) ?
    C29 N5 Zn1 . . 114.1(5) ?
    C36 N6 C30 . . 119.2(6) ?
    C36 N6 Zn1 . . 127.4(5) ?
    C30 N6 Zn1 . . 113.4(4) ?
    N1 C1 C2 . . 123.9(7) ?
    N1 C1 H1 . . 118.1 ?
    C2 C1 H1 . . 118.1 ?
    C3 C2 C1 . . 119.1(8) ?
    C3 C2 H2 . . 120.5 ?
    C1 C2 H2 . . 120.5 ?
    C2 C3 C4 . . 119.3(8) ?
    C2 C3 H3 . . 120.4 ?
    C4 C3 H3 . . 120.4 ?
    C5 C4 C3 . . 118.9(8) ?
    C5 C4 C7 . . 118.7(7) ?
    C3 C4 C7 . . 122.3(8) ?
    C4 C5 N1 . . 121.8(7) ?
    C4 C5 C6 . . 121.9(7) ?
    N1 C5 C6 . . 116.4(6) ?
    N2 C6 C9 . . 123.1(7) ?
    N2 C6 C5 . . 118.8(6) ?
    C9 C6 C5 . . 118.1(7) ?
    C8 C7 C4 . . 119.8(8) ?
    C8 C7 H7 . . 120.1 ?
    C4 C7 H7 . . 120.1 ?
    C7 C8 C9 . . 123.7(8) ?
    C7 C8 H8 . . 118.1 ?
    C9 C8 H8 . . 118.1 ?
    C10 C9 C6 . . 116.7(7) ?
    C10 C9 C8 . . 125.5(8) ?
    C6 C9 C8 . . 117.8(7) ?
    C11 C10 C9 . . 120.2(8) ?
    C11 C10 H10 . . 119.9 ?
    C9 C10 H10 . . 119.9 ?
    C10 C11 C12 . . 119.3(8) ?
    C10 C11 H11 . . 120.3 ?
    C12 C11 H11 . . 120.3 ?
    N2 C12 C11 . . 124.1(7) ?
    N2 C12 H12 . . 118.0 ?
    C11 C12 H12 . . 118.0 ?
    N3 C13 C14 . . 123.2(7) ?
    N3 C13 H13 . . 118.4 ?
    C14 C13 H13 . . 118.4 ?
    C15 C14 C13 . . 117.5(7) ?
    C15 C14 H14 . . 121.2 ?
    C13 C14 H14 . . 121.2 ?
    C14 C15 C16 . . 121.5(7) ?
    C14 C15 H15 . . 119.3 ?
    C16 C15 H15 . . 119.3 ?
    C17 C16 C15 . . 116.2(7) ?
    C17 C16 C19 . . 119.5(7) ?
    C15 C16 C19 . . 124.3(8) ?
    N3 C17 C16 . . 121.7(6) ?
    N3 C17 C18 . . 120.1(6) ?
    C16 C17 C18 . . 118.2(6) ?
    N4 C18 C21 . . 123.5(6) ?
    N4 C18 C17 . . 116.0(5) ?
    C21 C18 C17 . . 120.5(6) ?
    C20 C19 C16 . . 122.4(8) ?
    C20 C19 H19 . . 118.8 ?
    C16 C19 H19 . . 118.8 ?
    C19 C20 C21 . . 118.9(7) ?
    C19 C20 H20 . . 120.5 ?
    C21 C20 H20 . . 120.5 ?
    C18 C21 C22 . . 116.6(7) ?
    C18 C21 C20 . . 120.4(7) ?
    C22 C21 C20 . . 122.9(8) ?
    C23 C22 C21 . . 121.0(7) ?
    C23 C22 H22 . . 119.5 ?
    C21 C22 H22 . . 119.5 ?
    C22 C23 C24 . . 118.3(7) ?
    C22 C23 H23 . . 120.8 ?
    C24 C23 H23 . . 120.8 ?
    N4 C24 C23 . . 123.1(7) ?
    N4 C24 H24 . . 118.5 ?
    C23 C24 H24 . . 118.5 ?
    N5 C25 C26 . . 123.1(7) ?
    N5 C25 H25 . . 118.5 ?
    C26 C25 H25 . . 118.5 ?
    C27 C26 C25 . . 119.6(8) ?
    C27 C26 H26 . . 120.2 ?
    C25 C26 H26 . . 120.2 ?
    C26 C27 C28 . . 120.5(8) ?
    C26 C27 H27 . . 119.7 ?
    C28 C27 H27 . . 119.7 ?
    C27 C28 C31 . . 124.2(9) ?
    C27 C28 C29 . . 117.4(8) ?
    C31 C28 C29 . . 118.3(9) ?
    N5 C29 C28 . . 121.6(7) ?
    N5 C29 C30 . . 117.0(6) ?
    C28 C29 C30 . . 121.4(7) ?
    N6 C30 C33 . . 122.6(8) ?
    N6 C30 C29 . . 118.8(6) ?
    C33 C30 C29 . . 118.5(8) ?
    C32 C31 C28 . . 121.1(10) ?
    C32 C31 H31 . . 119.4 ?
    C28 C31 H31 . . 119.4 ?
    C31 C32 C33 . . 123.3(10) ?
    C31 C32 H32 . . 118.3 ?
    C33 C32 H32 . . 118.3 ?
    C34 C33 C30 . . 116.5(8) ?
    C34 C33 C32 . . 126.1(9) ?
    C30 C33 C32 . . 117.3(9) ?
    C35 C34 C33 . . 121.2(8) ?
    C35 C34 H34 . . 119.4 ?
    C33 C34 H34 . . 119.4 ?
    C34 C35 C36 . . 119.3(8) ?
    C34 C35 H35 . . 120.4 ?
    C36 C35 H35 . . 120.4 ?
    N6 C36 C35 . . 121.1(8) ?
    N6 C36 H36 . . 119.5 ?
    C35 C36 H36 . . 119.5 ?
    C38 C37 H37A . . 109.5 ?
    C38 C37 H37B . . 109.5 ?
    H37A C37 H37B . . 109.5 ?
    C38 C37 H37C . . 109.5 ?
    H37A C37 H37C . . 109.5 ?
    H37B C37 H37C . . 109.5 ?
    O10 C38 C37 . . 101(3) ?
    O10 C38 H38A . . 111.5 ?
    C37 C38 H38A . . 111.5 ?
    O10 C38 H38B . . 111.5 ?
    C37 C38 H38B . . 111.5 ?
    H38A C38 H38B . . 109.3 ?
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
    O10 H10A O5 2_666 0.81 2.15 2.947(14) 170 Y
    O9 H9A O10 2_666 0.89 1.89 2.78(2) 178 Y
    O9 H9B O2 2_567 0.88 1.91 2.788(17) 178 Y
data_global
_journal_date_recd_electronic     2004-09-08
_journal_date_accepted     2004-10-15
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2004
_journal_volume     60
_journal_issue     11
_journal_page_first     m1686
_journal_page_last     m1688
_journal_paper_category     EM
_publ_contact_author_name     'Prof P. Yang '
_publ_contact_author_address
;
Institute of Molecular Science,
Chemical Biology and Molecular Engineering Laboratory of Education Ministry
Shanxi University
Taiyuan, Shanxi 030006
P. R. China
;
_publ_contact_author_email     yangpin@sxu.edu.cn
_publ_contact_author_fax     '0086 351 701 1022'
_publ_contact_author_phone     '0086 351 701 0699'
_publ_section_title
;
Tris(1,10-phenanthroline-κ²N,N')zinc(II) bis(perchlorate) ethanol solvate
monohydrate
;
loop_
    _publ_author_name
    _publ_author_address
    'Wei, Yibin'
;
Institute of Molecular Science,
Chemical Biology and Molecular Engineering Laboratory
of Education Ministry
Shanxi University
Taiyuan
Shanxi 030006
People's Republic of China
;
    'Yuan, Caixia'
;
Institute of Molecular Science,
Chemical Biology and Molecular Engineering Laboratory
of Education Ministry
Shanxi University
Taiyuan
Shanxi 030006
People's Republic of China
;
    'Yang, Pin'
;
Institute of Molecular Science,
Chemical Biology and Molecular Engineering Laboratory
of Education Ministry
Shanxi University
Taiyuan
Shanxi 030006
People's Republic of China
;
