Multi-responsive luminescence sensing behaviour of a pair of temperature-dependent Cd(II) coordination polymers
Xu, Jie; Zhu, Peizhi; Wang, Yue; Zhang, Kou-Lin; Inorganica Chimica Acta 511 (2020) 119852–; doi:10.1016/j.ica.2020.119852

data_1564186
_publ_section_title
;
 Multi-responsive luminescence sensing behaviour of a pair of
 temperature-dependent Cd(II) coordination polymers
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119852
_journal_paper_doi               10.1016/j.ica.2020.119852
_journal_volume                  511
_journal_year                    2020
_chemical_formula_moiety         'C40 H34 Br6 Cd N14 O10'
_chemical_formula_sum            'C40 H34 Br6 Cd N14 O10'
_chemical_formula_weight         1462.62
_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   mixed
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                102.011(2)
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_cell_length_a                   8.8896(4)
_cell_length_b                   11.6244(5)
_cell_length_c                   12.1041(6)
_cell_measurement_reflns_used    9983
_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      2.2224
_cell_volume                     1186.68(10)
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_unetI/netI     0.0384
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_k_max       14
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_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18696
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.521
_diffrn_reflns_theta_min         1.732
_exptl_absorpt_coefficient_mu    5.584
_exptl_absorpt_correction_T_max  0.366
_exptl_absorpt_correction_T_min  0.204
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.047
_exptl_crystal_description       block
_exptl_crystal_F_000             710
_exptl_crystal_size_max          0.30
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_refine_diff_density_max         0.522
_refine_diff_density_min         -0.981
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         5444
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0320
_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^)+(0.0336P)^2^+0.7179P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0764
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4570
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ICA-2020-511-119852.cif
_cod_data_source_block           xj2
_cod_original_cell_volume        1186.68(9)
_cod_database_code               1564186
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              50701
_shelx_hkl_checksum              97803