New Class of Single-Source Precursors for the Synthesis of Main Group-Transition Metal Oxides: Heterobimetallic Pb-Mn β-Diketonates
Haitao Zhang; Jen-Hsien Yang; Roman V. Shpanchenko; Artem M. Abakumov; Joke Hadermann; Rodolphe Clérac; Evgeny V. Dikarev; Inorganic Chemistry 48 (2009) 8480–8488; doi:10.1021/ic901107s

data_4303099
_publ_section_title
;
New Class of Single-Source Precursors for the Synthesis of Main
Group-Transition Metal Oxides: Heterobimetallic Pb-Mn \b-Diketonates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8480
_journal_page_last               8488
_journal_paper_doi               10.1021/ic901107s
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety
;
 C20 H4 F24 Mn O8 Pb
;
_chemical_formula_sum            'C20 H4 F24 Mn O8 Pb'
_chemical_formula_weight         1090.36
_chemical_melting_point          ?
_chemical_name_systematic
; 
 catena-(di(hexafluoroacetylacetonate)-manganese(II)-
 di(hexafluoroacetylacetonate)-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                 91.58(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.517(3)
_cell_length_b                   21.566(4)
_cell_length_c                   19.831(4)
_cell_measurement_reflns_used    8935
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.2
_cell_measurement_theta_min      2.26
_cell_volume                     6206(2)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-93 (Sheldrick, 1993)'
_computing_publication_material  'SHELXCIF-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '0.3 deg wide \w exposures'
_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  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            53437
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    6.013
_exptl_absorpt_correction_T_max  0.5323
_exptl_absorpt_correction_T_min  0.1255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Bruker-AXS 2003)
;
_exptl_crystal_colour            orange-yellow
_exptl_crystal_density_diffrn    2.334
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             4088
_exptl_crystal_size_max          0.59
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.808
_refine_diff_density_min         -2.818
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1047
_refine_ls_number_reflns         14591
_refine_ls_number_restraints     174
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0576P)^2^+25.8229P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1084
_reflns_number_gt                12642
_reflns_number_total             14591
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901107s_si_002_1.cif
_cod_data_source_block           PbMn(CF3COCHCOCF3)4_(2)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4303099