Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.
Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara; Dalton transactions (Cambridge, England : 2003) 49 (2020) 10545–10553; doi:10.1039/d0dt01127d

data_7704916
_publ_section_title
;
 Multifunctional coordination polymers based on copper(i) and
 mercaptonicotinic ligands: synthesis, and structural, optical and
 electrical characterization.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10545
_journal_page_last               10553
_journal_paper_doi               10.1039/d0dt01127d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C6 H5 Cl Cu N O2 S'
_chemical_formula_sum            'C6 H5 Cl Cu N O2 S'
_chemical_formula_weight         254.16
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_audit_update_record
;
2020-06-08 deposited with the CCDC.	2020-06-29 downloaded from the CCDC.
;
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_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_av_unetI/netI     0.0420
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_diffrn_reflns_theta_min         3.440
_diffrn_source                   'fine-focus sealed X-ray tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.771
_exptl_crystal_description       plate
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.019
_exptl_crystal_size_mid          0.017
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_refine_diff_density_min         -0.438
_refine_diff_density_rms         0.090
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.39(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0769
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_refine_ls_shift/su_mean         0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0497P)^2^+1.8951P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1276
_reflns_Friedel_coverage         0.537
_reflns_Friedel_fraction_full    0.750
_reflns_Friedel_fraction_max     0.546
_reflns_number_gt                1383
_reflns_number_total             1906
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01127d2.cif
_cod_data_source_block           CP2HT
_cod_depositor_comments
;Adding full bibliography for 7704915--7704918.cif.

 Adding full bibliography for 7704915--7704918.cif.
;
_cod_original_cell_volume        1429.45(10)
_cod_database_code               7704916
_shelx_res_checksum              59059
_shelx_fab_checksum              36758