Pre-concentration and energy transfer enable the efficient luminescence sensing of transition metal ions by metal-organic frameworks
Xinping Lin; Yahui Hong; Chao Zhang; Ruiyun Huang; Cheng Wang; Wenbin Lin; Chem.Commun. 51 (2015) 16996–; doi:10.1039/C5cc06453H

data_7118091
_publ_section_title
;
 Pre-concentration and energy transfer enable the efficient luminescence
 sensing of transition metal ions by metal-organic frameworks
;
_journal_name_full               Chem.Commun.
_journal_page_first              16996
_journal_paper_doi               10.1039/C5cc06453H
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C36 Eu2 N6 O15, 2(O1)'
_chemical_formula_sum            'C36 Eu2 N6 O17'
_chemical_formula_weight         1092.34
_chemical_name_systematic        Eu-bpydc
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_audit_creation_date             2015-07-31
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-07-31 deposited with the CCDC.
2015-09-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.014(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.238(2)
_cell_length_b                   14.1876(15)
_cell_length_c                   16.8586(11)
_cell_measurement_temperature    100
_cell_volume                     6214.4(9)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Agilent micro-focus'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0843
_diffrn_reflns_av_unetI/netI     0.1336
_diffrn_reflns_laue_measured_fraction_full 0.995
_diffrn_reflns_laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25407
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.398
_exptl_absorpt_coefficient_mu    2.052
_exptl_absorpt_correction_T_max  0.8210
_exptl_absorpt_correction_T_min  0.4939
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.168
_exptl_crystal_description       needle
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.708
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_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1507
_refine_ls_R_factor_gt           0.0870
_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^)+(0.1161P)^2^+51.3532P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2294
_refine_ls_wR_factor_ref         0.2762
_reflns_Friedel_coverage         0.000
_reflns_friedel_fraction_full    .
_reflns_friedel_fraction_max     .
_reflns_number_gt                6271
_reflns_number_total             10883
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc06453h21.cif
_cod_data_source_block           p
_cod_original_cell_volume        6214.3(9)
_cod_database_code               7118091
_shelx_estimated_absorpt_t_max   0.821
_shelx_estimated_absorpt_t_min   0.494
_olex2_refinement_description
;
1. Others
 Sof(C5B)=1-FVAR(1)
 Sof(C5A)=FVAR(1)
 Sof(C6B)=1-FVAR(2)
 Sof(C6A)=FVAR(2)
 Sof(C17B)=1-FVAR(3)
 Sof(C17A)=FVAR(3)
 Sof(C18B)=1-FVAR(4)
 Sof(C18A)=FVAR(4)
 Sof(C22B)=1-FVAR(5)
 Sof(C22A)=FVAR(5)
 Sof(C23B)=1-FVAR(6)
 Sof(C23A)=FVAR(6)
 Sof(C34B)=1-FVAR(7)
 Sof(C34A)=FVAR(7)
 Sof(C35B)=1-FVAR(8)
 Sof(C35A)=FVAR(8)
 Sof(C36B)=1-FVAR(9)
 Sof(C36A)=FVAR(9)
 Sof(N1B)=1-FVAR(10)
 Sof(N1A)=FVAR(10)
 Sof(N2B)=1-FVAR(11)
 Sof(N2A)=FVAR(11)
 Sof(N6B)=1-FVAR(12)
 Sof(N6A)=FVAR(12)
 Sof(C33B)=1-FVAR(13)
 Sof(C33A)=FVAR(13)
 Sof(C8B)=1-FVAR(14)
 Sof(C8A)=FVAR(14)
 Sof(C3B)=1-FVAR(15)
 Sof(C3A)=FVAR(15)
 Sof(O10B)=1-FVAR(16)
 Sof(O10A)=FVAR(16)
 Sof(C32B)=1-FVAR(17)
 Sof(C32A)=FVAR(17)
 Sof(O10)=1-FVAR(18)
 Sof(O13)=FVAR(18)
 Sof(O16B)=1-FVAR(19)
 Sof(O16A)=FVAR(19)
;
_shelx_res_checksum              26889
_shelx_hkl_checksum              92730
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'