Highly efficient electrochemiluminescence on microporous MOFs containing zinc secondary building units with a pcu net
Feng, Chao; Zhao, Hong; Li, Zong-Qun; Journal of Solid State Chemistry 258 (2018) 841–844; doi:10.1016/j.jssc.2017.12.011

data_1561301
_publ_section_title
;
 Highly efficient electrochemiluminescence on microporous MOFs containing
 zinc secondary building units with a pcu net
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              841
_journal_page_last               844
_journal_paper_doi               10.1016/j.jssc.2017.12.011
_journal_volume                  258
_journal_year                    2018
_chemical_formula_sum            'C24 H12 N12 O14 Zn8'
_chemical_formula_weight         1215.42
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F d -3 m :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.1343(3)
_cell_length_b                   20.1343(3)
_cell_length_c                   20.1343(3)
_cell_measurement_temperature    293(2)
_cell_volume                     8162.2(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71000
_diffrn_reflns_av_R_equivalents  0.0231
_diffrn_reflns_av_sigmaI/netI    0.0137
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            4176
_diffrn_reflns_theta_full        29.50
_diffrn_reflns_theta_max         29.50
_diffrn_reflns_theta_min         3.35
_exptl_absorpt_coefficient_mu    4.690
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.978
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4736
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.758
_refine_diff_density_min         -2.086
_refine_diff_density_rms         0.260
_refine_ls_extinction_coef       0.00023(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   1.383
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     36
_refine_ls_number_reflns         545
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.409
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0773
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0656P)^2^+568.4792P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2067
_refine_ls_wR_factor_ref         0.2153
_reflns_number_gt                420
_reflns_number_total             545
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2018-258-841.cif
_cod_data_source_block           zh-123
_cod_original_sg_symbol_H-M      Fd-3m
_cod_database_code               1561301