Enhanced luminescence for detection of small molecules based on doped lanthanide compounds with a dinuclear double-stranded helicate structure
Xu, Yuan-Yi; Sun, Ou; Qi, Yue; Xie, Bo-Yu; Gao, Ting; New Journal of Chemistry 43 (2019) 16706–; doi:10.1039/C9NJ04104D

data_7058853
_publ_section_title
;
 Enhanced luminescence for detection of small molecules based on doped
 lanthanide compounds with a dinuclear double-stranded helicate structure
;
_journal_issue                   42
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              16706
_journal_paper_doi               10.1039/C9NJ04104D
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'C104 H94 Eu2 N4 O16'
_chemical_formula_weight         1959.75
_space_group_IT_number           70
_space_group_name_Hall           '-F 2uv 2vw'
_space_group_name_H-M_alt        'F d d d :2'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-12-07 deposited with the CCDC.    2019-10-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.821(4)
_cell_length_b                   25.478(5)
_cell_length_c                   40.301(8)
_cell_measurement_reflns_used    3785
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1285
_cell_measurement_theta_min      3.1766
_cell_volume                     22406(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       '\w scans'
_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  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0481
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            12532
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.18
_exptl_absorpt_coefficient_mu    1.166
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88064
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             8000
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.44
_platon_squeeze_details
;
;
_refine_diff_density_max         1.028
_refine_diff_density_min         -0.810
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         4918
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.1034
_refine_ls_R_factor_gt           0.0686
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1314P)^2^+1.6736P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2067
_refine_ls_wR_factor_ref         0.2282
_reflns_number_gt                3128
_reflns_number_total             4918
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9nj04104d2.cif
_cod_data_source_block           s
_cod_depositor_comments          'Adding full bibliography for 7058853.cif.'
_cod_original_cell_volume        22406(8)
_cod_original_sg_symbol_H-M      Fddd
_cod_database_code               7058853