Synthesis and characterization of zinc di(<i>O</i>-2,2-dimethylpentan-3-yl dithiocarbonates) bearing pyridine or tetramethylethylenediamine coligands and investigation of their thermal conversion mechanisms towards nanocrystalline zinc sulfide.
Vakalopoulou, Efthymia; Buchmaier, Christine; Pein, Andreas; Saf, Robert; Fischer, Roland C.; Torvisco, Ana; Warchomicka, Fernando; Rath, Thomas; Trimmel, Gregor; Dalton transactions (Cambridge, England : 2003) 49 (2020) 14564–14575; doi:10.1039/d0dt03065a

data_7705695
_publ_section_title
;
 Synthesis and characterization of zinc
 di(<i>O</i>-2,2-dimethylpentan-3-yl dithiocarbonates) bearing pyridine or
 tetramethylethylenediamine coligands and investigation of their thermal
 conversion mechanisms towards nanocrystalline zinc sulfide.
;
_journal_issue                   41
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'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14564
_journal_page_last               14575
_journal_paper_doi               10.1039/d0dt03065a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C21 H35 N O2 S4 Zn'
_chemical_formula_sum            'C21 H35 N O2 S4 Zn'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
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;
2020-09-23 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_measurement_temperature    100(2)
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_diffrn_measurement_device       'three-circle diffractometer'
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_diffrn_reflns_av_unetI/netI     0.0462
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_diffrn_reflns_point_group_measured_fraction_full 0.992
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_diffrn_source                   'microfocus sealed X-ray tube'
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_exptl_absorpt_correction_T_max  0.7465
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_description       block
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.370
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4577
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0544
_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^)+(0.0905P)^2^+2.4800P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1396
_refine_ls_wR_factor_ref         0.1571
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3236
_reflns_number_total             4577
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           AT78_a
_cod_depositor_comments
'Adding full bibliography for 7705694--7705695.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7705695
_publcif_datablock.id            {4a516b48-41d3-4453-8009-9193f7827cfc}
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.795
_shelx_estimated_absorpt_t_max   0.942
_shelx_res_checksum              76405
_publcif_funding_html
;
;