<i>catena</i>-Poly[(μ~3~-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-onato)(μ~2~-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-onato)lead(II)]
Lyczko, Krzysztof; Lyczko, Monika; Starosta, Wojciech; Acta Crystallographica Section E 66 (2010) m1395–m1396; doi:10.1107/S1600536810039978

data_2227235
_publ_section_title
;
 <i>catena</i>-Poly[(\m~3~-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-onato)(\m~2~-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-onato)lead(II)]
;
_journal_coeditor_code           BT5353
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1395
_journal_page_last               m1396
_journal_paper_doi               10.1107/S1600536810039978
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb (C10 H11 O2)2]'
_chemical_formula_moiety         'C20 H22 O4 Pb'
_chemical_formula_sum            'C20 H22 O4 Pb'
_chemical_formula_weight         533.57
_chemical_name_common            bis(hinokitiolato-O,O')lead(II)
_chemical_name_systematic
;
<i>catena</i>-Poly[(\m~3~-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-\
1-onato)(\m~2~-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-\
1-onato)lead(II)]
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.780(7)
_cell_length_b                   8.2802(17)
_cell_length_c                   7.3661(15)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      6
_cell_volume                     2060.3(7)
_computing_cell_refinement       'KM-4 Software (Kuma, 1996)'
_computing_data_collection       'KM-4 Software (Kuma, 1996)'
_computing_data_reduction        'DATAPROC (Kuma, 2001)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Kuma KM-4 four-circle'
_diffrn_measurement_method       'profile data from \w/2\q scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0933
_diffrn_reflns_av_sigmaI/netI    0.0679
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3452
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.21
_diffrn_standards_decay_%        1.12
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.207
_exptl_absorpt_correction_T_max  0.78905
_exptl_absorpt_correction_T_min  0.52716
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2000)'
_exptl_crystal_colour            'dark yellow'
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.379
_refine_diff_density_min         -2.109
_refine_ls_abs_structure_details '0 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.004(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     216
_refine_ls_number_reflns         3063
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0528P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0929
_reflns_number_gt                1969
_reflns_number_total             3063
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5353.cif
_cod_data_source_block           I
_cod_database_code               2227235
_cod_database_fobs_code          2227235