Four 2D Ln‒Cd heterometal‒organic coordination polymers based on tetranuclear Ln‒Cd oxo-cluster with highly selective luminescent sensing of organic molecules and metal cations
Liu, Qi; Wan, Fang; Qiu, Li-Xia; Sun, Yan-Qiong; Chen, Yi-Ping; RSC Advances 4 (2014) 27013–; doi:10.1039/c4ra02953d

data_7216748
_publ_section_title
;
 Four 2D Ln--Cd heterometal--organic coordination polymers based on
 tetranuclear Ln--Cd oxo-cluster with highly selective luminescent sensing
 of organic molecules and metal cations
;
_journal_issue                   51
_journal_name_full               'RSC Advances'
_journal_page_first              27013
_journal_paper_doi               10.1039/c4ra02953d
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety         'C28 H52 Cd2 Gd2 N6 O24,4(O)'
_chemical_formula_sum            'C28 H52 Cd2 Gd2 N6 O28'
_chemical_formula_weight         1460.06
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.77(3)
_cell_angle_beta                 92.74(3)
_cell_angle_gamma                91.79(3)
_cell_formula_units_Z            2
_cell_length_a                   9.779(2)
_cell_length_b                   10.868(2)
_cell_length_c                   20.395(4)
_cell_measurement_reflns_used    9532
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      54.92
_cell_measurement_theta_min      5.99
_cell_volume                     2125.1(8)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Saturn724 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_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  0.0532
_diffrn_reflns_av_sigmaI/netI    0.0713
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            19740
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    4.173
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.282
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1420
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.882
_refine_diff_density_min         -2.644
_refine_diff_density_rms         0.207
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     594
_refine_ls_number_reflns         9524
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0721P)^2^+1.4582P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1237
_reflns_number_gt                7188
_reflns_number_total             9524
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra02953d2.cif
_cod_data_source_block           2
_cod_original_cell_volume        2125.2(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7216748