Dual-Emission SG7@MOF Sensor via SC-SC Transformation: Enhancing the Formation of Excimer Emission and the Range and Sensitivity of Detection.
Fu, Hong-Ru; Wu, Xiao-Xia; Ma, Lu-Fang; Wang, Fei; Zhang, Jian; ACS applied materials & interfaces 10 (2018) 18012–18020; doi:10.1021/acsami.8b05614

data_4515398
_publ_section_title
;
 Dual-Emission SG7@MOF Sensor via SC-SC Transformation: Enhancing the
 Formation of Excimer Emission and the Range and Sensitivity of Detection.
;
_journal_issue                   21
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              18012
_journal_page_last               18020
_journal_paper_doi               10.1021/acsami.8b05614
_journal_volume                  10
_journal_year                    2018
_chemical_formula_moiety         'C124 H92 N30 O18 S3 Zn4'
_chemical_formula_sum            'C124 H92 N30 O18 S3 Zn4'
_chemical_formula_weight         2647.93
_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'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 107.92(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   32.987(7)
_cell_length_b                   31.548(6)
_cell_length_c                   16.376(3)
_cell_measurement_reflns_used    21695
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      27.7540
_cell_measurement_theta_min      3.6140
_cell_volume                     16215(6)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector_area_resol_mean 16.1169
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'SuperNova, Single source at offset, EosS2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            56228
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         3.309
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.683
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.39774
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.085
_exptl_crystal_description       block
_exptl_crystal_F_000             5432
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_exptl_transmission_factor_max   0.872
_exptl_transmission_factor_min   0.815
_refine_diff_density_max         2.466
_refine_diff_density_min         -1.313
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.294
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     824
_refine_ls_number_reflns         14219
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      1.302
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0754
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2841
_refine_ls_wR_factor_ref         0.3012
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11252
_reflns_number_total             14219
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am8b05614_si_002.cif
_cod_data_source_block           SG7
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4515398
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              6211
_shelx_hkl_checksum              88408
_shelx_fab_checksum              63280
_platon_squeeze_void_probe_radius 1.20