Gelation of Luminescent Supramolecular Cages and Transformation to Crystals with Trace-Doped-Enhancement Luminescence.
Feng, Juan; Zeng, Lihua; Chen, Kunyu; Fang, Haobin; Zhang, Jianyong; Chi, Zhenguo; Su, Cheng-Yong; Langmuir : the ACS journal of surfaces and colloids 32 (2016) 12184–12189; doi:10.1021/acs.langmuir.6b03678

data_4516592
_publ_section_title
;
 Gelation of Luminescent Supramolecular Cages and Transformation to
 Crystals with Trace-Doped-Enhancement Luminescence.
;
_journal_issue                   46
_journal_name_full
'Langmuir : the ACS journal of surfaces and colloids'
_journal_page_first              12184
_journal_page_last               12189
_journal_paper_doi               10.1021/acs.langmuir.6b03678
_journal_volume                  32
_journal_year                    2016
_chemical_formula_sum            'C56 H56 Ag2 I2 P4'
_chemical_formula_weight         1322.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 99.5900(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.19570(10)
_cell_length_b                   18.8215(2)
_cell_length_c                   13.6849(2)
_cell_measurement_reflns_used    9018
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      73.7570
_cell_measurement_theta_min      4.0060
_cell_volume                     2589.41(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16552
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.095
_diffrn_reflns_theta_min         4.031
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    16.868
_exptl_absorpt_correction_T_max  0.2833
_exptl_absorpt_correction_T_min  0.1334
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.696
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1304
_exptl_crystal_preparation       ', Luminescent'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: CHCl3-MeCN-H2O'
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.533
_refine_diff_density_min         -1.164
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5202
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0259
_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^)+(0.0371P)^2^+1.5384P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0663
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4751
_reflns_number_total             5202
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            la6b03678_si_002.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4516592
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.133
_shelx_estimated_absorpt_t_max   0.283
_shelx_res_checksum              16196
_shelx_hkl_checksum              34845