Crystal structure of lead(II) acetylacetonate and the structure of the acetylacetone solvated lead(II) ion in solution studied by large-angle X-ray scattering.
Lyczko, Krzysztof; Narbutt, Jerzy; Paluchowska, Beata; Maurin, Jan K.; Persson, Ingmar; Dalton transactions (Cambridge, England : 2003)  (2006) 3972–3976; doi:10.1039/b606543k

data_7007515
_publ_section_title
;
 Crystal structure of lead(II) acetylacetonate and the structure of the
 acetylacetone solvated lead(II) ion in solution studied by large-angle
 X-ray scattering.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3972
_journal_page_last               3976
_journal_paper_doi               10.1039/b606543k
_journal_year                    2006
_chemical_formula_sum            'C10 H14 O4 Pb'
_chemical_formula_weight         405.40
_chemical_name_common
;
catena-((mu!3$-Acetylacetonato-O,O,O',O')-(mu!2$-
acetylacetonato-O,O,O')-lead(ii))
;
_chemical_name_systematic
;
catena-((\m~3~-Acetylacetonato-O,O,O',O')-(\m~2~-acetylacetonato-O,O,O')-
lead(II))
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.74(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.083(2)
_cell_length_b                   7.830(2)
_cell_length_c                   18.940(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1194.6(5)
_computing_cell_refinement       'Kuma software (1991)'
_computing_data_collection       'Kuma software (1991)'
_computing_data_reduction        'Kuma software (1991)'
_computing_molecular_graphics    'XP (Bruker-AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.788
_diffrn_measured_fraction_theta_max 0.788
_diffrn_measurement_device_type  'Kuma KM-4 \k-axis diffractometer'
_diffrn_measurement_method       'separate scans for individual reflections'
_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  0.0748
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1707
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.16
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.115
_exptl_absorpt_correction_T_max  0.02148
_exptl_absorpt_correction_T_min  0.00131
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.265
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       columnar
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.776
_refine_diff_density_min         -0.854
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1661
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.1337
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0976P)^2^+3.7131P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1416
_refine_ls_wR_factor_ref         0.1723
_reflns_number_gt                807
_reflns_number_total             1661
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b606543k.txt
_cod_data_source_block           narpab
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'psi scan' changed to 'psi-scan'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7007515