Rapid energy transfer in non-porous metal‒organic frameworks with caged Ru(bpy)32+ chromophores: oxygen trapping and luminescence quenching
Kent, Caleb A.; Liu, Demin; Ito, Akitaka; Zhang, Teng; Brennaman, M. Kyle; Meyer, Thomas J.; Lin, Wenbin; Journal of Materials Chemistry A 1 (2013) 14982–; doi:10.1039/c3ta14009a

data_7239557
_publ_section_title
;
 Rapid energy transfer in non-porous metal--organic frameworks with caged
 Ru(bpy)32+ chromophores: oxygen trapping and luminescence quenching
;
_journal_issue                   47
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              14982
_journal_paper_doi               10.1039/c3ta14009a
_journal_volume                  1
_journal_year                    2013
_chemical_formula_sum            'C36 H24 N6 O12 Ru Zn2'
_chemical_formula_weight         964.42
_space_group_IT_number           213
_space_group_name_Hall           'P 4bd 2ab 3'
_space_group_name_H-M_alt        'P 41 3 2'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'P 41 3 2'
_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                   15.2853(5)
_cell_length_b                   15.2853(5)
_cell_length_c                   15.2853(5)
_cell_measurement_temperature    100(2)
_cell_volume                     3571.3(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0118
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13207
_diffrn_reflns_theta_full        72.35
_diffrn_reflns_theta_max         72.35
_diffrn_reflns_theta_min         4.09
_exptl_absorpt_coefficient_mu    5.602
_exptl_absorpt_correction_T_max  0.6042
_exptl_absorpt_correction_T_min  0.1661
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1928
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.440
_refine_diff_density_min         -1.036
_refine_diff_density_rms         0.067
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.009(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.795
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     88
_refine_ls_number_reflns         1193
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.795
_refine_ls_R_factor_all          0.0220
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0799
_reflns_number_gt                1191
_reflns_number_total             1193
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ta14009a.txt
_cod_data_source_block           rubpyznox_p4132
_cod_original_sg_symbol_H-M      'P 4(1) 3 2'
_cod_database_code               7239557