##############################################################################
###                                                                        ###
###        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 2.4.    #
#                                                                            #
# 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
;
catena-Poly[lead(II)-bis(μ₂-pyridazine-3-carboxylato-
κ³N²,O:O)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C10 H6 N4 O4 Pb'
_chemical_formula_sum     'C10 H6 N4 O4 Pb'
_chemical_formula_iupac     '[Pb (C5 H3 N2 O2)2]'
_chemical_formula_weight     453.38
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     8.0336(16)
_cell_length_b     10.386(2)
_cell_length_c     13.766(3)
_cell_angle_alpha     90.00
_cell_angle_beta     93.72(3)
_cell_angle_gamma     90.00
_cell_volume     1146.2(4)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     6
_cell_measurement_theta_max     15
_cell_measurement_temperature     293(2)
_exptl_crystal_description     blocks
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.332
_exptl_crystal_size_mid     0.087
_exptl_crystal_size_min     0.081
_exptl_crystal_density_diffrn     2.627
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     832
_exptl_absorpt_coefficient_mu     14.736
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2008)
;
_exptl_absorpt_correction_T_min     0.28392
_exptl_absorpt_correction_T_max     0.37881
_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     'Kuma KM-4 four-circle diffractometer'
_diffrn_measurement_method     'profile data from ω/2θ scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     3587
_diffrn_reflns_av_R_equivalents     0.0403
_diffrn_reflns_av_sigmaI/netI     0.0537
_diffrn_reflns_theta_min     2.46
_diffrn_reflns_theta_max     30.07
_diffrn_reflns_theta_full     30.07
_diffrn_measured_fraction_theta_max     0.996
_diffrn_measured_fraction_theta_full     0.996
_diffrn_reflns_limit_h_min     0
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -19
_diffrn_reflns_limit_l_max     19
_diffrn_standards_number     3
_diffrn_standards_interval_count     200
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     1.27
_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     3365
_reflns_number_gt     2119
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0989
_refine_ls_R_factor_gt     0.0481
_refine_ls_wR_factor_gt     0.1195
_refine_ls_wR_factor_ref     0.1371
_refine_ls_goodness_of_fit_ref     1.051
_refine_ls_restrained_S_all     1.051
_refine_ls_number_reflns     3365
_refine_ls_number_parameters     172
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0903P)²+0.0000P] 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     0.002
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     6.566
_refine_diff_density_min     -4.302
_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'
    'Pb' 'Pb' -3.3944 10.1111
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'KM-4 Software (Kuma, 1996)'
_computing_cell_refinement     'KM-4 Software (Kuma, 1996)'
_computing_data_reduction     'DATAPROC (Kuma, 2001)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXL97 (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
    Pb Pb1 0.25237(3) 1.03613(3) 1.006155(19) 0.02242(12) Uani d . 1 . .
    O O11 0.0180(7) 0.9406(6) 0.8924(4) 0.0250(12) Uani d . 1 . .
    N N12 0.3296(8) 0.8553(6) 0.8814(5) 0.0224(13) Uani d . 1 . .
    N N22 0.1664(8) 0.8074(6) 1.0764(5) 0.0214(13) Uani d . 1 . .
    O O21 0.4781(8) 0.9011(6) 1.0862(5) 0.0301(13) Uani d . 1 . .
    N N21 0.0078(8) 0.7670(7) 1.0745(5) 0.0259(15) Uani d . 1 . .
    O O12 -0.0827(8) 0.7546(6) 0.8339(6) 0.0388(17) Uani d . 1 . .
    O O22 0.5838(9) 0.7035(7) 1.1022(7) 0.052(2) Uani d . 1 . .
    N N11 0.4876(9) 0.8212(8) 0.8732(6) 0.0291(16) Uani d . 1 . .
    C C16 0.5237(12) 0.7161(9) 0.8257(7) 0.033(2) Uani d . 1 . .
    H H16 0.6349 0.6937 0.8203 0.039 Uiso calc R 1 . .
    C C14 0.2380(10) 0.6694(8) 0.7923(6) 0.0257(16) Uani d . 1 . .
    H H14 0.1517 0.6183 0.7656 0.031 Uiso calc R 1 . .
    C C26 -0.0251(11) 0.6477(9) 1.0961(7) 0.0311(19) Uani d . 1 . .
    H H26 -0.1358 0.6214 1.0959 0.037 Uiso calc R 1 . .
    C C17 0.0322(10) 0.8273(8) 0.8564(6) 0.0207(15) Uani d . 1 . .
    C C13 0.2049(9) 0.7810(7) 0.8424(5) 0.0182(14) Uani d . 1 . .
    C C23 0.2885(10) 0.7262(8) 1.0976(6) 0.0260(17) Uani d . 1 . .
    C C15 0.3974(11) 0.6369(9) 0.7831(6) 0.0316(19) Uani d . 1 . .
    H H15 0.4240 0.5631 0.7492 0.038 Uiso calc R 1 . .
    C C27 0.4639(10) 0.7783(8) 1.0958(6) 0.0256(17) Uani d . 1 . .
    C C24 0.2584(14) 0.5976(9) 1.1172(9) 0.047(3) Uani d . 1 . .
    H H24 0.3460 0.5399 1.1286 0.056 Uiso calc R 1 . .
    C C25 0.1003(13) 0.5593(10) 1.1192(9) 0.045(3) Uani d . 1 . .
    H H25 0.0747 0.4751 1.1357 0.055 Uiso calc R 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    Pb1 0.01425(17) 0.01657(17) 0.03658(19) -0.00057(14) 0.00282(11)
                                                                    -0.00095(13)
    O11 0.016(3) 0.019(3) 0.041(3) 0.004(2) 0.008(2) 0.000(2)
    N12 0.013(3) 0.018(3) 0.037(3) 0.001(3) 0.004(3) -0.005(3)
    N22 0.018(3) 0.014(3) 0.032(3) 0.000(3) 0.005(2) 0.007(2)
    O21 0.025(3) 0.018(3) 0.048(3) -0.008(3) 0.004(3) 0.004(3)
    N21 0.006(3) 0.027(4) 0.045(4) -0.005(3) 0.003(3) 0.008(3)
    O12 0.011(3) 0.027(3) 0.078(5) -0.006(3) 0.004(3) -0.010(3)
    O22 0.024(4) 0.030(4) 0.101(6) 0.012(3) 0.002(4) 0.001(4)
    N11 0.017(4) 0.030(4) 0.040(4) -0.004(3) 0.003(3) -0.012(3)
    C16 0.022(4) 0.028(5) 0.048(5) 0.012(4) -0.001(4) -0.007(4)
    C14 0.017(4) 0.020(4) 0.040(4) 0.000(3) 0.002(3) -0.007(3)
    C26 0.019(4) 0.022(4) 0.051(5) -0.009(4) 0.000(4) 0.008(4)
    C17 0.017(4) 0.016(4) 0.030(4) 0.005(3) 0.002(3) -0.002(3)
    C13 0.013(3) 0.014(3) 0.027(3) -0.002(3) 0.000(3) -0.001(3)
    C23 0.017(4) 0.017(4) 0.045(4) -0.004(3) 0.005(3) 0.007(3)
    C15 0.022(4) 0.033(5) 0.040(4) 0.004(4) 0.009(3) -0.016(4)
    C27 0.010(4) 0.024(4) 0.044(4) 0.001(3) 0.004(3) -0.002(3)
    C24 0.031(5) 0.014(4) 0.093(8) 0.005(4) -0.008(5) 0.017(5)
    C25 0.028(6) 0.017(5) 0.092(8) 0.001(4) 0.010(5) 0.012(5)
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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
    Pb1 O21 . 2.492(7) yes
    Pb1 O11 . 2.569(6) yes
    Pb1 N12 . 2.645(7) yes
    Pb1 O21 3_677 2.662(7) yes
    Pb1 O11 3_577 2.669(6) yes
    Pb1 N22 . 2.672(6) yes
    O11 C17 . 1.285(10) ?
    O11 Pb1 3_577 2.669(6) ?
    N12 N11 . 1.330(10) ?
    N12 C13 . 1.348(9) ?
    N22 C23 . 1.312(10) ?
    N22 N21 . 1.340(9) ?
    O21 C27 . 1.289(10) ?
    O21 Pb1 3_677 2.662(7) ?
    N21 C26 . 1.305(11) ?
    O12 C17 . 1.217(10) ?
    O22 C27 . 1.237(10) ?
    N11 C16 . 1.315(12) ?
    C16 C15 . 1.405(12) ?
    C16 H16 . 0.9300 ?
    C14 C15 . 1.338(12) ?
    C14 C13 . 1.384(11) ?
    C14 H14 . 0.9300 ?
    C26 C25 . 1.385(13) ?
    C26 H26 . 0.9300 ?
    C17 C13 . 1.493(11) ?
    C23 C24 . 1.386(12) ?
    C23 C27 . 1.511(12) ?
    C15 H15 . 0.9300 ?
    C24 C25 . 1.334(14) ?
    C24 H24 . 0.9300 ?
    C25 H25 . 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
    O21 Pb1 O11 . . 122.4(2) ?
    O21 Pb1 N12 . . 72.1(2) ?
    O11 Pb1 N12 . . 61.55(19) ?
    O21 Pb1 O21 . 3_677 76.0(2) ?
    O11 Pb1 O21 . 3_677 112.9(2) ?
    N12 Pb1 O21 . 3_677 68.4(2) ?
    O21 Pb1 O11 . 3_577 114.4(2) ?
    O11 Pb1 O11 . 3_577 76.4(2) ?
    N12 Pb1 O11 . 3_577 129.6(2) ?
    O21 Pb1 O11 3_677 3_577 160.5(2) ?
    O21 Pb1 N22 . . 62.5(2) ?
    O11 Pb1 N22 . . 71.4(2) ?
    N12 Pb1 N22 . . 71.4(2) ?
    O21 Pb1 N22 3_677 . 128.9(2) ?
    O11 Pb1 N22 3_577 . 69.7(2) ?
    C17 O11 Pb1 . . 120.6(5) ?
    C17 O11 Pb1 . 3_577 112.3(5) ?
    Pb1 O11 Pb1 . 3_577 103.6(2) ?
    N11 N12 C13 . . 120.1(7) ?
    N11 N12 Pb1 . . 120.6(5) ?
    C13 N12 Pb1 . . 117.8(5) ?
    C23 N22 N21 . . 119.9(7) ?
    C23 N22 Pb1 . . 116.4(5) ?
    N21 N22 Pb1 . . 122.6(5) ?
    C27 O21 Pb1 . . 122.4(5) ?
    C27 O21 Pb1 . 3_677 111.8(6) ?
    Pb1 O21 Pb1 . 3_677 104.0(2) ?
    C26 N21 N22 . . 120.0(8) ?
    C16 N11 N12 . . 120.4(7) ?
    N11 C16 C15 . . 121.1(8) ?
    N11 C16 H16 . . 119.4 ?
    C15 C16 H16 . . 119.4 ?
    C15 C14 C13 . . 118.4(8) ?
    C15 C14 H14 . . 120.8 ?
    C13 C14 H14 . . 120.8 ?
    N21 C26 C25 . . 121.8(9) ?
    N21 C26 H26 . . 119.1 ?
    C25 C26 H26 . . 119.1 ?
    O12 C17 O11 . . 125.6(8) ?
    O12 C17 C13 . . 117.6(7) ?
    O11 C17 C13 . . 116.8(7) ?
    N12 C13 C14 . . 121.1(7) ?
    N12 C13 C17 . . 115.9(6) ?
    C14 C13 C17 . . 123.0(7) ?
    N22 C23 C24 . . 121.7(8) ?
    N22 C23 C27 . . 116.8(7) ?
    C24 C23 C27 . . 121.5(8) ?
    C14 C15 C16 . . 118.9(8) ?
    C14 C15 H15 . . 120.6 ?
    C16 C15 H15 . . 120.6 ?
    O22 C27 O21 . . 123.7(8) ?
    O22 C27 C23 . . 119.8(8) ?
    O21 C27 C23 . . 116.5(7) ?
    C25 C24 C23 . . 118.0(9) ?
    C25 C24 H24 . . 121.0 ?
    C23 C24 H24 . . 121.0 ?
    C24 C25 C26 . . 118.5(9) ?
    C24 C25 H25 . . 120.8 ?
    C26 C25 H25 . . 120.8 ?
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
    C16 H16 O12 1_655 0.93 2.35 3.182(12) 148.5
    C14 H14 O21 4_575 0.93 2.76 3.489(10) 135.6
    C26 H26 O22 1_455 0.93 2.42 3.201(12) 142.2
    C15 H15 O11 2_546 0.93 2.40 3.266(10) 155.4
    C25 H25 O12 3_567 0.93 2.42 3.328(12) 164.8
data_global
_journal_date_recd_electronic     2010-01-14
_journal_date_accepted     2010-01-18
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      2
_journal_page_first     m192
_journal_page_last     m192
_journal_paper_category     QM
_journal_coeditor_code     KP2247
_publ_contact_author_name     'Janusz Leciejewicz'
_publ_contact_author_address
;
Institute of Nuclear Chemistry and Technology
ul.Dorodna 16
03-195 Warszawa
Poland
;
_publ_contact_author_email     j.leciejewicz@ichtj.waw.pl
_publ_contact_author_fax     '48 22 811 1917'
_publ_contact_author_phone     '48 22 504 1230'
_publ_section_title
;\
catena-Poly[lead(II)-bis(μ₂-pyridazine-3-carboxylato-\
κ³N²,O:O)]
;
loop_
    _publ_author_name
    _publ_author_address
    'Wojciech Starosta'
;
Institute of Nuclear Chemistry and Technology
ul.Dorodna 16
03-195 Warszawa
Poland
;
    'Janusz Leciejewicz'
;
Institute of Nuclear Chemistry and Technology
ul.Dorodna 16
03-195 Warszawa
Poland
;
