Metal‒organic framework composites with luminescent gold(iii) complexes. Strongly emissive and long-lived excited states in open air and photo-catalysis
Sun, Chun-Yi; To, Wai-Pong; Wang, Xin-Long; Chan, Kaai-Tung; Su, Zhong-Min; Che, Chi-Ming; Chem. Sci. 6 (2015) 7105–; doi:10.1039/C5SC02216A

data_1532468
_publ_section_title
;
 Metal--organic framework composites with luminescent gold(iii) complexes.
 Strongly emissive and long-lived excited states in open air and
 photo-catalysis
;
_journal_issue                   12
_journal_name_full               'Chem. Sci.'
_journal_page_first              7105
_journal_paper_doi               10.1039/C5SC02216A
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C82 H116 Cd2 N24 O25'
_chemical_formula_weight         2062.77
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-03-24 deposited with the CCDC.
2015-09-04 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 105.900(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   30.664(5)
_cell_length_b                   17.225(5)
_cell_length_c                   27.371(5)
_cell_measurement_temperature    293(2)
_cell_volume                     13904(5)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.757
_diffrn_measured_fraction_theta_max 0.960
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1108
_diffrn_reflns_av_unetI/netI     0.1736
_diffrn_reflns_laue_measured_fraction_full 0.757
_diffrn_reflns_laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            23752
_diffrn_reflns_point_group_measured_fraction_full 0.757
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         23.185
_diffrn_reflns_theta_min         1.369
_exptl_absorpt_coefficient_mu    0.332
_exptl_crystal_density_diffrn    0.985
_exptl_crystal_F_000             2352
_refine_diff_density_max         0.516
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         9511
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1411
_refine_ls_R_factor_gt           0.0723
_refine_ls_shift/su_max          0.178
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0407P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1556
_refine_ls_wR_factor_ref         0.1677
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3623
_reflns_number_total             9511
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5sc02216a2.cif
_cod_data_source_block           MOF1
_cod_depositor_comments          'Adding full bibliography for 1532468.cif.'
_cod_database_code               1532468
_shelxl_version_number           2013-4
_shelx_res_checksum              55179