Two porous luminescent metal-organic frameworks: quantifiable evaluation of dynamic and static luminescent sensing mechanisms towards Fe(3.).
Jin, Jun-Cheng; Pang, Ling-Yan; Yang, Guo-Ping; Hou, Lei; Wang, Yao-Yu; Dalton transactions (Cambridge, England : 2003) 44 (2015) 17222–17228; doi:10.1039/c5dt03038b

data_7036283
_publ_section_title
;
 Two porous luminescent metal-organic frameworks: quantifiable evaluation
 of dynamic and static luminescent sensing mechanisms towards Fe(3.).
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17222
_journal_page_last               17228
_journal_paper_doi               10.1039/c5dt03038b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C33 H33 Cd3 N3 O18'
_chemical_formula_weight         1096.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-10-21 deposited with the CCDC.
2015-08-25 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 110.984(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1085(13)
_cell_length_b                   18.918(2)
_cell_length_c                   11.0438(15)
_cell_measurement_temperature    296(2)
_cell_volume                     1971.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9803
_diffrn_reflns_theta_full        25.30
_diffrn_reflns_theta_max         25.30
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    1.682
_exptl_absorpt_correction_T_max  0.9058
_exptl_absorpt_correction_T_min  0.7296
_exptl_crystal_density_diffrn    1.847
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.179
_refine_diff_density_min         -2.167
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.271
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         3648
_refine_ls_number_restraints     100
_refine_ls_restrained_S_all      1.282
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.084
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0200P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1505
_refine_ls_wR_factor_ref         0.1540
_reflns_number_gt                3290
_reflns_number_total             3648
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03038b2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7036283--7036284.cif.'
_cod_original_sg_symbol_H-M      P21/m
_cod_database_code               7036283