Tetranuclear homo- (Zn(II)4 and Cd(II)4) and hetero-metal (Zn(II)2Tb(III)2 and Cd(II)2Tb(III)2) complexes with a pair of carboxylate ligands in a rare η2:η2:μ4-bridging mode: syntheses, structures and emission properties.
Abtab, Sk Md Towsif; Audhya, Anandalok; Kundu, Nabanita; Samanta, Swarna Kamal; Sardar, Pinki Saha; Butcher, Ray J.; Ghosh, Sanjib; Chaudhury, Muktimoy; Dalton transactions (Cambridge, England : 2003) 42 (2013) 1848–1861; doi:10.1039/c2dt30347g

data_7022009
_publ_section_title
;
 Tetranuclear homo- (Zn(II)4 and Cd(II)4) and hetero-metal
 (Zn(II)2Tb(III)2 and Cd(II)2Tb(III)2) complexes with a pair of
 carboxylate ligands in a rare \h2:\h2:\m4-bridging mode: syntheses,
 structures and emission properties.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1848
_journal_page_last               1861
_journal_paper_doi               10.1039/c2dt30347g
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C68 H72 F12 N4 O12 Zn4'
_chemical_formula_weight         1626.78
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.7526(5)
_cell_length_b                   26.7988(8)
_cell_length_c                   16.5905(5)
_cell_measurement_reflns_used    9953
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.234
_cell_measurement_theta_min      2.301
_cell_volume                     7448.3(4)
_computing_cell_refinement       'Bruker Apex 2'
_computing_data_collection       'Bruker Apex 2'
_computing_data_reduction        'Bruker Apex 2'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Apex 2'
_diffrn_measurement_method       '\w 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  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            115510
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         32.43
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    1.362
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.6031
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3328
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         1.447
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         13340
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0435
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0556P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1053
_refine_ls_wR_factor_ref         0.1141
_reflns_number_gt                8693
_reflns_number_total             13340
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30347g.txt
_cod_data_source_block           1_Zn4
_cod_database_code               7022009