Selective colorimetric detection of Cu2+ by lanthanide based hybrid complexes associated with a single crystal growth mediated transformation
Soumyabrata Roy; Oinam Bijeta Chanu; Sumanta Sarkar; Sebastian C. Peter; Journal of Materials Chemistry C 4 (2016) 6256–6269; doi:10.1039/C6TC00785F

data_7234877
_publ_section_title
;
 Selective colorimetric detection of Cu2+ by lanthanide based hybrid
 complexes associated with a single crystal growth mediated transformation
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              6256
_journal_page_last               6269
_journal_paper_doi               10.1039/C6TC00785F
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety
'C48 H40 Dy2 N10 O14, 2(C10 H8 N2), 2(C2 H6 O), 2(N O3)'
_chemical_formula_sum            'C72 H68 Dy2 N16 O22'
_chemical_formula_weight         1834.42
_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
_cell_angle_alpha                101.792(3)
_cell_angle_beta                 101.965(3)
_cell_angle_gamma                104.347(2)
_cell_formula_units_Z            1
_cell_length_a                   10.0671(5)
_cell_length_b                   10.8650(5)
_cell_length_c                   19.0097(12)
_cell_measurement_reflns_used    7551
_cell_measurement_temperature    295
_cell_measurement_theta_max      26.46
_cell_volume                     1897.56(18)
_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    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      295.15
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_av_unetI/netI     0.1205
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27267
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.461
_diffrn_reflns_theta_min         2.009
_exptl_absorpt_coefficient_mu    2.039
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6453
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'clear reddish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_description       rhombohedral
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.093
_refine_diff_density_min         -2.661
_refine_diff_density_rms         0.350
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7551
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1171
_refine_ls_R_factor_gt           0.0653
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1290P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1615
_refine_ls_wR_factor_ref         0.2162
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5052
_reflns_number_total             7551
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            J-Mater-Chem-C-2016-4-6256.cif
_cod_data_source_block           obcr_2
_cod_database_code               7234877
_shelx_estimated_absorpt_t_max   0.854
_shelx_estimated_absorpt_t_min   0.750
_shelx_res_checksum              93791
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'