A multifunctional Eu MOF as a fluorescent pH sensor and exhibiting highly solvent-dependent adsorption and degradation of rhodamine B
Meng, Qingguo; Xin, Xuelian; Zhang, Liangliang; Dai, Fangna; Wang, Rongming; Sun, Daofeng; Journal of Materials Chemistry A 3 (2015) 24016–; doi:10.1039/C5TA04989J

data_7236103
_publ_section_title
;
 A multifunctional Eu MOF as a fluorescent pH sensor and exhibiting highly
 solvent-dependent adsorption and degradation of rhodamine B
;
_journal_issue                   47
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              24016
_journal_paper_doi               10.1039/C5TA04989J
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C48 H24 Eu3 O26'
_chemical_formula_sum            'C48 H24 Eu3 O26'
_chemical_formula_weight         1472.55
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-09-05
_audit_creation_method
;
Olex2 1.2
(compiled 2014.08.28 svn.r2986 for OlexSys, GUI svn.r4874)
;
_audit_update_record
;
2014-09-08 deposited with the CCDC.
2015-10-23 downloaded from the CCDC.
;
_cell_angle_alpha                65.229(4)
_cell_angle_beta                 67.518(4)
_cell_angle_gamma                88.435(3)
_cell_formula_units_Z            1
_cell_length_a                   11.6692(4)
_cell_length_b                   12.2365(4)
_cell_length_c                   13.6586(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1615.62(13)
_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    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0533
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18053
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.87
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.947
_exptl_absorpt_correction_T_max  0.7571
_exptl_absorpt_correction_T_min  0.7375
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             709
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_platon_squeeze_details
;
;
_refine_diff_density_max         1.626
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         5686
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0321
_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^)+(0.0372P)^2^+0.7631P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0865
_reflns_number_gt                4683
_reflns_number_total             5686
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ta04989j2.cif
_cod_data_source_block           p-sr
_cod_original_cell_volume        1615.62(10)
_cod_database_code               7236103
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2.a Rotating group:
 O1W(H1WA,H1WB)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C8(H8), C11(H11), C14(H14), C16(H16), C18(H18), C21(H21),
 C24(H24)
2.c Tetrahedral OH refined with riding coordinates:
 O10(H10)
;
_olex2_submission_special_instructions 'No special instructions were received'