Heterobimetallic Ba‒Co aminopolycarboxylate complexes as precursors for BaCoO3-δ oxides; towards a one-stage-deposition of cobaltite films
Bulimestru, Ion; Mentré, Olivier; Tancret, Nathalie; Rolle, Aurélie; Djelal, Nora; Burylo, Laurence; Cornei, Nicoleta; Popa, Nelea; Gulea, Aurelian; Journal of Materials Chemistry 20 (2010) 10724–; doi:10.1039/c0jm01012j

data_7215496
_publ_section_title
;
 Heterobimetallic Ba--Co aminopolycarboxylate complexes as precursors for
 BaCoO3-\d oxides; towards a one-stage-deposition of cobaltite films
;
_journal_issue                   47
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              10724
_journal_paper_doi               10.1039/c0jm01012j
_journal_volume                  20
_journal_year                    2010
_chemical_formula_sum            'C14 H28 Ba Co N2 O13'
_chemical_formula_weight         628.58
_chemical_name_common            BaCo(cdta)-5H2O
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 91.4690(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.8694(2)
_cell_length_b                   15.0670(3)
_cell_length_c                   22.1339(4)
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      34.469
_cell_measurement_theta_min      2.2925
_cell_volume                     4290.42(13)
_computing_cell_refinement       'Bruker X8/SAINT'
_computing_data_collection       'Bruker X8'
_computing_data_reduction        'Bruker X8/SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            44606
_diffrn_reflns_theta_full        34.49
_diffrn_reflns_theta_max         34.49
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    2.753
_exptl_absorpt_correction_T_max  0.8755
_exptl_absorpt_correction_T_min  0.7601
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'empirical (SADABS)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.946
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1252
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.326
_refine_diff_density_min         -1.056
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       0.00008(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         8635
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0264
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0368P)^2^+4.6029P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0736
_reflns_number_gt                7585
_reflns_number_total             8635
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0jm01012j.txt
_cod_data_source_block           lo3_0m
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        C14H28Ba1Co1N2O13
_cod_database_code               7215496