Syntheses, Structures and Magnetic Behaviors of Di- and Trinuclear Pivalate Complexes Containing Both Cobalt(II) and Lanthanide(III) Ions
Yong Cui; Gang Chen; Jin Ren; Yitai Qian; Jinshun Huang; Inorganic Chemistry 39 (2000) 4165–4168; doi:10.1021/ic000230e

data_4321320
_publ_section_title
;
 Syntheses, Structures and Magnetic Behaviors of Di- and Trinuclear
 Pivalate Complexes Containing Both Cobalt(II) and Lanthanide(III) Ions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4165
_journal_page_last               4168
_journal_paper_doi               10.1021/ic000230e
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C48 H68 Co2 Gd N3 O15'
_chemical_formula_weight         1202.16
_chemical_name_systematic
;

 ?

;
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_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 115.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.282(5)
_cell_length_b                   11.644(2)
_cell_length_c                   24.301(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
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_computing_cell_refinement       'PSi SCANS'
_computing_data_collection       'Enraf-nonius CAD4'
_computing_data_reduction        'Siemens XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf-nonius CAD4'
_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  0.0745
_diffrn_reflns_av_sigmaI/netI    0.1040
_diffrn_reflns_limit_h_max       27
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_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        none
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_diffrn_standards_interval_time  none
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_exptl_absorpt_coefficient_mu    1.794
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .7832
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_description       prism
_exptl_crystal_F_000             2460
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_exptl_crystal_size_mid          .15
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_refine_ls_restrained_S_obs      1.105
_refine_ls_R_factor_all          0.1099
_refine_ls_R_factor_gt           0.0558
_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^)+(0.0746P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1553
_reflns_number_gt                3557
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000230e_3.cif
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_cod_original_cell_volume        5676.9(20)
_cod_database_code               4321320