A multi-responsive luminescent sensor for organic small-molecule pollutants and metal ions based on a 4d-4f metal-organic framework.
Ma, Huili; Wang, Lu; Chen, Jinghuo; Zhang, Xuejing; Wang, Liang; Xu, Na; Yang, Guangming; Cheng, Peng; Dalton transactions (Cambridge, England : 2003) 46 (2017) 3526–3534; doi:10.1039/c7dt00159b

data_7041982
_publ_section_title
;
 A multi-responsive luminescent sensor for organic small-molecule
 pollutants and metal ions based on a 4d-4f metal-organic framework.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3526
_journal_page_last               3534
_journal_paper_doi               10.1039/c7dt00159b
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C62 H44 Ag3 N10 O31 Tb3'
_chemical_formula_sum            'C62 H44 Ag3 N10 O31 Tb3'
_chemical_formula_weight         2225.44
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2016-07-26
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2017-02-07 deposited with the CCDC.
2017-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                103.9950(10)
_cell_angle_beta                 102.1540(10)
_cell_angle_gamma                91.6670(10)
_cell_formula_units_Z            2
_cell_length_a                   12.6918(4)
_cell_length_b                   12.9749(4)
_cell_length_c                   23.5138(7)
_cell_measurement_reflns_used    9935
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.535
_cell_measurement_theta_min      3.248
_cell_volume                     3659.9(2)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0759
_diffrn_reflns_av_unetI/netI     0.0636
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            56163
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.82
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.739
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5880
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0973 before and 0.0715 after correction.
The Ratio of minimum to maximum transmission is 0.7886.
The \l/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.019
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2140
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.654
_refine_diff_density_min         -1.265
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     989
_refine_ls_number_reflns         12867
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0644
_refine_ls_R_factor_gt           0.0412
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0383P)^2^+2.4810P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0858
_refine_ls_wR_factor_ref         0.0925
_reflns_number_gt                9578
_reflns_number_total             12867
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7dt00159b2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7041981--7041982.cif.'
_cod_original_cell_volume        3659.89(19)
_cod_database_code               7041982
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O31(H31A,H31B), O25(H25A,H25B), O30(H30A,H30B), O27(H27A,H27B), O29(H29A,
 H29B), O26(H26A,H26B), O28(H28A,H28B)
2.b Aromatic/amide H refined with riding coordinates:
 C34(H34), C20(H20), C40(H40), C56(H56), C53(H53), C16(H16), C3(H3), C57(H57),
 C52(H52), C21(H21), C22(H22), C9(H9), C32(H32), C28(H28), C45(H45), C29(H29),
 C46(H46), C27(H27), C58(H58), C4(H4), C51(H51), C33(H33), C44(H44), C39(H39),
 C41(H41), C17(H17), C5(H5), C10(H10), C15(H15), C8(H8)
;
_olex2_submission_special_instructions 'No special instructions were received'