##############################################################################
###                                                                        ###
###        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                #
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##############################################################################
                                             
data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2004-12-07
_journal_date_accepted     2004-12-17
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue      2
_journal_page_first     m217
_journal_page_last     m218
_journal_paper_category     EM
_publ_contact_author_name     'Prof. Fangfang Jian'
_publ_contact_author_address
;
      New Materials & Function Coordination
      Chemistry Laboratory
      Qingdao University of Science & Technology
      266042, Qingdao
      P. R. China
;
_publ_contact_author_email     ffj2003@163169.net
_publ_contact_author_fax     '86 0532 4023606'
_publ_contact_author_phone     '86 0532 4023606'
_publ_section_title
;
Azidobis(2,2'-bipyridine)cadmium(II)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Fangfang Jian' ?
;
New Materials & Function
Coordination Chemistry Laboratory
Qingdao University of Science & Technology
Qingdao 266042
People's Republic of China
;
    'Chunlei Li' ?
;
New Materials & Function
Coordination Chemistry Laboratory
Qingdao University of Science & Technology
Qingdao 266042
People's Republic of China
;
    'Hailian Xiao' ?
;
New Materials & Function
Coordination Chemistry Laboratory
Qingdao University of Science & Technology
Qingdao 266042
People's Republic of China
;
    'Pingping Sun' ?
;
New Materials & Function
Coordination Chemistry Laboratory
Qingdao University of Science & Technology
Qingdao 266042
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Azidobis(2,2'-bipyridine)cadmium(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C20 H16 Cd N10'
_chemical_formula_sum     'C20 H16 Cd N10'
_chemical_formula_iupac     '[Cd (N3)2 (C10 H8 N2)2]'
_chemical_formula_weight     508.83
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-p 2y bc'
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     17.099(3)
_cell_length_b     14.758(3)
_cell_length_c     8.0020(16)
_cell_angle_alpha     90.00
_cell_angle_beta     95.00(3)
_cell_angle_gamma     90.00
_cell_volume     2011.6(7)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     4
_cell_measurement_theta_max     14
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.35
_exptl_crystal_size_mid     0.28
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     1.680
_exptl_crystal_density_meas     'not measured'
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1016
_exptl_absorpt_coefficient_mu     1.117
_exptl_absorpt_correction_type     empirical
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.690
_exptl_absorpt_correction_T_max     0.800
_exptl_special_details
;
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Enraf-Nonius CAD-4'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     4247
_diffrn_reflns_av_R_equivalents     0.0140
_diffrn_reflns_av_sigmaI/netI     0.0214
_diffrn_reflns_theta_min     1.20
_diffrn_reflns_theta_max     26.12
_diffrn_reflns_theta_full     26.12
_diffrn_measured_fraction_theta_max     0.988
_diffrn_measured_fraction_theta_full     0.988
_diffrn_reflns_limit_h_min     -20
_diffrn_reflns_limit_h_max     20
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     0
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     9
_diffrn_standards_number     3
_diffrn_standards_interval_count     100
_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     3950
_reflns_number_gt     2776
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0447
_refine_ls_R_factor_gt     0.0250
_refine_ls_wR_factor_gt     0.0639
_refine_ls_wR_factor_ref     0.0707
_refine_ls_goodness_of_fit_ref     1.071
_refine_ls_restrained_S_all     1.071
_refine_ls_number_reflns     3950
_refine_ls_number_parameters     281
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
     'calc w = 1/[σ²(Fo²)+(0.0318P)²+0.9972P] 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     0.580
_refine_diff_density_min     -0.405
_refine_ls_extinction_method     SHELXL97
_refine_ls_extinction_coef     0.0041(3)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
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'
    'Cd' 'Cd' -0.8075 1.2024
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_cell_refinement     'CAD-4 Software'
_computing_data_reduction     'NRCVAX (Gabe et al., 1989)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL-PC (Sheldrick, 1990)'
_computing_publication_material     'WinGX (Farrugia, 1999)'
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
    Cd1 0.250005(11) 0.000014(14) 0.43014(2) 0.03580(9) Uani d . 1 . . Cd
    N1 0.17586(14) 0.08327(16) 0.6247(3) 0.0407(6) Uani d . 1 . . N
    N2 0.30955(14) 0.14573(16) 0.4871(3) 0.0399(5) Uani d . 1 . . N
    N3 0.32396(14) -0.08366(15) 0.6237(3) 0.0412(6) Uani d . 1 . . N
    N4 0.19028(14) -0.14586(15) 0.4869(3) 0.0399(5) Uani d . 1 . . N
    N5 0.34141(19) -0.0287(2) 0.2317(4) 0.0557(7) Uani d . 1 . . N
    N6 0.40519(18) -0.05822(18) 0.2563(4) 0.0561(7) Uani d . 1 . . N
    N7 0.4665(2) -0.0889(3) 0.2749(6) 0.0948(13) Uani d . 1 . . N
    N8 0.15789(18) 0.0286(2) 0.2316(4) 0.0565(7) Uani d . 1 . . N
    N9 0.09505(17) 0.05818(18) 0.2564(4) 0.0571(8) Uani d . 1 . . N
    N10 0.0339(2) 0.0886(3) 0.2754(6) 0.0962(13) Uani d . 1 . . N
    C1 0.1143(2) 0.0491(2) 0.7039(4) 0.0504(8) Uani d . 1 . . C
    H1A 0.1027 -0.0120 0.6878 0.061 Uiso calc R 1 . . H
    C2 0.0672(2) 0.0983(3) 0.8076(4) 0.0551(8) Uani d . 1 . . C
    H2A 0.0274 0.0704 0.8609 0.066 Uiso calc R 1 . . H
    C3 0.08254(19) 0.1887(3) 0.8264(4) 0.0541(8) Uani d . 1 . . C
    H3A 0.0528 0.2248 0.8920 0.065 Uiso calc R 1 . . H
    C4 0.14488(18) 0.2260(2) 0.7435(4) 0.0471(7) Uani d . 1 . . C
    H4A 0.1554 0.2876 0.7544 0.057 Uiso calc R 1 . . H
    C5 0.19201(16) 0.17219(18) 0.6441(3) 0.0357(6) Uani d . 1 . . C
    C6 0.26280(16) 0.20757(19) 0.5580(3) 0.0373(6) Uani d . 1 . . C
    C7 0.2811(2) 0.2996(2) 0.5534(4) 0.0475(7) Uani d . 1 . . C
    H7A 0.2490 0.3422 0.5990 0.057 Uiso calc R 1 . . H
    C8 0.3488(2) 0.3271(2) 0.4786(4) 0.0555(9) Uani d . 1 . . C
    H8B 0.3610 0.3885 0.4748 0.067 Uiso calc R 1 . . H
    C9 0.3981(2) 0.2643(2) 0.4100(4) 0.0538(8) Uani d . 1 . . C
    H9A 0.4435 0.2821 0.3629 0.065 Uiso calc R 1 . . H
    C10 0.37586(19) 0.1743(2) 0.4159(4) 0.0496(8) Uani d . 1 . . C
    H10A 0.4071 0.1310 0.3696 0.059 Uiso calc R 1 . . H
    C11 0.3855(2) -0.0480(2) 0.7039(4) 0.0529(8) Uani d . 1 . . C
    H11A 0.3968 0.0130 0.6893 0.063 Uiso calc R 1 . . H
    C12 0.4331(2) -0.0989(3) 0.8083(4) 0.0576(9) Uani d . 1 . . C
    H12A 0.4766 -0.0730 0.8678 0.069 Uiso calc R 1 . . H
    C13 0.41740(19) -0.1884(3) 0.8264(4) 0.0549(8) Uani d . 1 . . C
    H13A 0.4507 -0.2237 0.8978 0.066 Uiso calc R 1 . . H
    C14 0.35484(19) -0.2266(2) 0.7432(4) 0.0469(7) Uani d . 1 . . C
    H14A 0.3441 -0.2880 0.7536 0.056 Uiso calc R 1 . . H
    C15 0.30816(16) -0.17250(18) 0.6441(3) 0.0344(6) Uani d . 1 . . C
    C16 0.23747(16) -0.20764(19) 0.5584(3) 0.0353(6) Uani d . 1 . . C
    C17 0.2194(2) -0.2994(2) 0.5536(4) 0.0465(7) Uani d . 1 . . C
    H17A 0.2551 -0.3412 0.6027 0.056 Uiso calc R 1 . . H
    C18 0.1509(2) -0.3275(2) 0.4784(4) 0.0550(9) Uani d . 1 . . C
    H18A 0.1378 -0.3887 0.4734 0.066 Uiso calc R 1 . . H
    C19 0.1013(2) -0.2636(2) 0.4099(4) 0.0536(8) Uani d . 1 . . C
    H19A 0.0524 -0.2801 0.3593 0.064 Uiso calc R 1 . . H
    C20 0.12385(18) -0.1740(2) 0.4155(4) 0.0506(8) Uani d . 1 . . C
    H20A 0.0894 -0.1312 0.3652 0.061 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
    Cd1 N1 . 2.426(2) yes
    Cd1 N2 . 2.406(2) yes
    Cd1 N3 . 2.276(2) yes
    Cd1 N4 . 2.442(2) yes
    Cd1 N5 . 2.362(3) yes
    Cd1 N8 . 2.178(3) yes
    N1 C5 . 1.347(3) ?
    N1 C1 . 1.371(4) ?
    N2 C6 . 1.369(4) ?
    N2 C10 . 1.378(4) ?
    N3 C11 . 1.296(4) ?
    N3 C15 . 1.351(3) ?
    N4 C20 . 1.294(4) ?
    N4 C16 . 1.315(3) ?
    N5 N6 . 1.175(4) yes
    N6 N7 . 1.140(4) yes
    N8 N9 . 1.193(4) yes
    N9 N10 . 1.160(5) yes
    C1 C2 . 1.408(5) ?
    C1 H1A . 0.9300 ?
    C2 C3 . 1.366(5) ?
    C2 H2A . 0.9300 ?
    C3 C4 . 1.415(5) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.422(4) ?
    C4 H4A . 0.9300 ?
    C5 C6 . 1.536(4) ?
    C6 C7 . 1.395(4) ?
    C7 C8 . 1.408(5) ?
    C7 H7A . 0.9300 ?
    C8 C9 . 1.397(5) ?
    C8 H8B . 0.9300 ?
    C9 C10 . 1.384(5) ?
    C9 H9A . 0.9300 ?
    C10 H10A . 0.9300 ?
    C11 C12 . 1.344(4) ?
    C11 H11A . 0.9300 ?
    C12 C13 . 1.359(5) ?
    C12 H12A . 0.9300 ?
    C13 C14 . 1.334(5) ?
    C13 H13A . 0.9300 ?
    C14 C15 . 1.339(4) ?
    C14 H14A . 0.9300 ?
    C15 C16 . 1.434(4) ?
    C16 C17 . 1.388(4) ?
    C17 C18 . 1.336(5) ?
    C17 H17A . 0.9300 ?
    C18 C19 . 1.352(5) ?
    C18 H18A . 0.9300 ?
    C19 C20 . 1.378(4) ?
    C19 H19A . 0.9300 ?
    C20 H20A . 0.9300 ?
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
    N1 Cd1 N2 . . 70.24(8) yes
    N3 Cd1 N4 . . 67.16(8) yes
    N5 Cd1 N8 . . 91.33(11) yes
    N5 N6 N7 . . 177.4(4) yes
    N8 N9 N10 . . 177.6(4) yes
    N8 Cd1 N3 . . 157.60(10) ?
    N8 Cd1 N5 . . 91.33(11) ?
    N3 Cd1 N5 . . 89.96(10) ?
    N8 Cd1 N2 . . 103.43(10) ?
    N3 Cd1 N2 . . 98.93(8) ?
    N5 Cd1 N2 . . 89.63(10) ?
    N8 Cd1 N1 . . 89.13(10) ?
    N3 Cd1 N1 . . 97.39(8) ?
    N5 Cd1 N1 . . 159.38(9) ?
    N2 Cd1 N1 . . 70.24(8) ?
    N8 Cd1 N4 . . 91.06(10) ?
    N5 Cd1 N4 . . 106.20(10) ?
    N2 Cd1 N4 . . 158.39(8) ?
    N1 Cd1 N4 . . 94.40(8) ?
    C5 N1 C1 . . 117.6(3) ?
    C5 N1 Cd1 . . 117.01(19) ?
    C1 N1 Cd1 . . 125.1(2) ?
    C6 N2 C10 . . 119.9(3) ?
    C6 N2 Cd1 . . 114.95(18) ?
    C10 N2 Cd1 . . 123.0(2) ?
    C11 N3 C15 . . 119.8(3) ?
    C11 N3 Cd1 . . 119.7(2) ?
    C15 N3 Cd1 . . 120.22(18) ?
    C20 N4 C16 . . 116.8(3) ?
    C20 N4 Cd1 . . 124.4(2) ?
    C16 N4 Cd1 . . 116.19(18) ?
    N6 N5 Cd1 . . 127.8(3) ?
    N9 N8 Cd1 . . 123.7(3) ?
    N1 C1 C2 . . 125.8(3) ?
    N1 C1 H1A . . 117.1 ?
    C2 C1 H1A . . 117.1 ?
    C3 C2 C1 . . 117.0(3) ?
    C3 C2 H2A . . 121.5 ?
    C1 C2 H2A . . 121.5 ?
    C2 C3 C4 . . 118.3(3) ?
    C2 C3 H3A . . 120.9 ?
    C4 C3 H3A . . 120.9 ?
    C3 C4 C5 . . 122.1(3) ?
    C3 C4 H4A . . 118.9 ?
    C5 C4 H4A . . 118.9 ?
    N1 C5 C4 . . 119.2(3) ?
    N1 C5 C6 . . 116.2(2) ?
    C4 C5 C6 . . 124.6(3) ?
    N2 C6 C7 . . 119.8(3) ?
    N2 C6 C5 . . 118.1(2) ?
    C7 C6 C5 . . 122.0(3) ?
    C6 C7 C8 . . 119.1(3) ?
    C6 C7 H7A . . 120.4 ?
    C8 C7 H7A . . 120.4 ?
    C9 C8 C7 . . 121.5(3) ?
    C9 C8 H8B . . 119.3 ?
    C7 C8 H8B . . 119.3 ?
    C10 C9 C8 . . 116.5(3) ?
    C10 C9 H9A . . 121.7 ?
    C8 C9 H9A . . 121.7 ?
    N2 C10 C9 . . 123.1(3) ?
    N2 C10 H10A . . 118.5 ?
    C9 C10 H10A . . 118.5 ?
    N3 C11 C12 . . 120.2(3) ?
    N3 C11 H11A . . 119.9 ?
    C12 C11 H11A . . 119.9 ?
    C11 C12 C13 . . 119.7(3) ?
    C11 C12 H12A . . 120.2 ?
    C13 C12 H12A . . 120.2 ?
    C14 C13 C12 . . 121.0(3) ?
    C14 C13 H13A . . 119.5 ?
    C12 C13 H13A . . 119.5 ?
    C13 C14 C15 . . 117.0(3) ?
    C13 C14 H14A . . 121.5 ?
    C15 C14 H14A . . 121.5 ?
    C14 C15 N3 . . 122.3(3) ?
    C14 C15 C16 . . 120.1(3) ?
    N3 C15 C16 . . 117.5(2) ?
    N4 C16 C17 . . 122.5(3) ?
    N4 C16 C15 . . 114.7(2) ?
    C17 C16 C15 . . 122.8(3) ?
    C18 C17 C16 . . 120.0(3) ?
    C18 C17 H17A . . 120.0 ?
    C16 C17 H17A . . 120.0 ?
    C17 C18 C19 . . 117.4(3) ?
    C17 C18 H18A . . 121.3 ?
    C19 C18 H18A . . 121.3 ?
    C18 C19 C20 . . 119.6(3) ?
    C18 C19 H19A . . 120.2 ?
    C20 C19 H19A . . 120.2 ?
    N4 C20 C19 . . 123.6(3) ?
    N4 C20 H20A . . 118.2 ?
    C19 C20 H20A . . 118.2 ?
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
    C4 H4A N9 4_566 0.93 2.50 3.301(4) 145
    C11 H11A N7 3_656 0.93 2.59 3.231(5) 127
    C14 H14A N6 4_556 0.93 2.50 3.290(4) 143
    C17 H17A N5 4_556 0.93 2.58 3.507(4) 173
    C19 H19A N10 2_545 0.93 2.61 3.421(5) 146
