Multicolour lanthanide(III) porous 1D coordination polymers: tunable wide spectrum emission and efficient Cu<sup>II</sup> sensing.
Karmakar, Sanchita; Ghosh, Adrija; Prasad, Komal; Rahimi, Faruk Ahamed; Rambabu, Darsi; Haldar, Ritesh; Maji, Tapas Kumar; Dalton transactions (Cambridge, England : 2003) 50 (2021) 13002–13011; doi:10.1039/d1dt01860d

data_7708130
_publ_section_title
;
 Multicolour lanthanide(III) porous 1D coordination polymers: tunable wide
 spectrum emission and efficient Cu<sup>II</sup> sensing.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13002
_journal_page_last               13011
_journal_paper_doi               10.1039/d1dt01860d
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         '2(C33 H30 Eu N O11), 2(O0.50), 2(H2 O)'
_chemical_formula_sum            'C66 H64 Eu2 N2 O25'
_chemical_formula_weight         1589.11
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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_method           SHELXL-97
_audit_update_record
;
2021-06-05 deposited with the CCDC.	2021-07-30 downloaded from the CCDC.
;
_cell_angle_alpha                98.739(4)
_cell_angle_beta                 95.779(4)
_cell_angle_gamma                106.745(4)
_cell_formula_units_Z            1
_cell_length_a                   8.5690(5)
_cell_length_b                   14.4339(8)
_cell_length_c                   14.4711(9)
_cell_measurement_reflns_used    2189
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      1.4
_cell_volume                     1674.20(18)
_computing_cell_refinement       'Bruker sAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'BRUKER SAINT A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \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  0.1785
_diffrn_reflns_av_sigmaI/netI    0.2248
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19721
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    1.938
_exptl_absorpt_correction_T_max  0.9093
_exptl_absorpt_correction_T_min  0.8007
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'needle shaped'
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.970
_refine_diff_density_min         -1.111
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         6561
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.1774
_refine_ls_R_factor_gt           0.0794
_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^)+(0.0667P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1494
_refine_ls_wR_factor_ref         0.1922
_reflns_number_gt                3295
_reflns_number_total             6561
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            d1dt01860d2.cif
_cod_data_source_block           compound
_cod_depositor_comments          'Adding full bibliography for 7708130.cif.'
_cod_original_cell_volume        1674.20(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7708130