Interplay between lead carboxylate and Ti or Zr isopropoxides in solution routes to perovskites: synthesis, molecular structures and reactivity of single source non-oxo Pb-Zr and Pb-Ti carboxylatoalkoxides supported by 2-ethylhexanoate ligands.
Brethon, Anne; Hubert-Pfalzgraf, Liliane G; Daran, Jean-Claude; Dalton transactions (Cambridge, England : 2003)  (2006) 250–257; doi:10.1039/b513142c

data_7006695
_publ_section_title
;
 Interplay between lead carboxylate and Ti or Zr isopropoxides in
 solution routes to perovskites: synthesis, molecular structures and
 reactivity of single source non-oxo Pb-Zr and Pb-Ti
 carboxylatoalkoxides supported by 2-ethylhexanoate ligands.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              250
_journal_page_last               257
_journal_paper_doi               10.1039/b513142c
_journal_year                    2006
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C23 H48 O8 Pb Ti1.50'
_chemical_formula_sum            'C23 H48 O8 Pb Ti1.5'
_chemical_formula_weight         731.65
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 116.342(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.6632(17)
_cell_length_b                   14.2307(14)
_cell_length_c                   22.7373(17)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    180(2)
_cell_volume                     6281.7(10)
_computing_cell_refinement       'Stoe IPDS'
_computing_data_collection       'Stoe IPDS'
_computing_data_reduction        'Stoe IPDS X-red'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97 (Altomare et al., 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       \f
_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  0.0485
_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            19801
_diffrn_reflns_theta_full        24.09
_diffrn_reflns_theta_max         24.09
_diffrn_reflns_theta_min         1.79
_diffrn_standards_decay_%        0.1
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  3
_diffrn_standards_number         200
_exptl_absorpt_coefficient_mu    5.762
_exptl_absorpt_correction_T_max  0.0693
_exptl_absorpt_correction_T_min  0.0375
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       box
_exptl_crystal_F_000             2920
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.42
_refine_diff_density_max         0.956
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     219
_refine_ls_number_reflns         4824
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[\s^2^(Fo^2^)+(0.0660P)^2^+26.4607P] where P==(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1156
_refine_ls_wR_factor_ref         0.1216
_reflns_number_gt                3850
_reflns_number_total             4824
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            b513142c.txt
_cod_data_source_block           ab42r3
_cod_original_cell_volume        6281.7(9)
_cod_original_formula_sum        'C23 H48 O8 Pb Ti1.50'
_cod_database_code               7006695