Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis, structures and their utility as molecular precursors for the preparation of tin sulfide nanosheets
Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Jain, Vimal K.; Kumar, Mukesh; Vishwanadh, B.; RSC Advances 5 (2015) 62882–; doi:10.1039/C5RA09267A

data_7235933
_publ_section_title
;
 Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis,
 structures and their utility as molecular precursors for the preparation
 of tin sulfide nanosheets
;
_journal_issue                   77
_journal_name_full               'RSC Advances'
_journal_page_first              62882
_journal_paper_doi               10.1039/C5RA09267A
_journal_volume                  5
_journal_year                    2015
_chemical_formula_sum            'C14 H18 N2 S2 Sn'
_chemical_formula_weight         397.11
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-05-05 deposited with the CCDC.
2015-07-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_c                   9.7256(8)
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_cell_volume                     1663.3(3)
_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
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_computing_molecular_graphics    'Ortep-3 for windows'
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_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Titan'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0411
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.975
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_diffrn_reflns_limit_k_min       -19
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_diffrn_reflns_point_group_measured_fraction_full 0.993
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_diffrn_reflns_theta_full        67.684
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_description       block
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_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.655
_refine_diff_density_min         -1.412
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       0.0032(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.091
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_refine_ls_number_reflns         1587
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.1017
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1351P)^2^+0.8267P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2017
_refine_ls_wR_factor_ref         0.2518
_reflns_Friedel_coverage         0.000
_reflns_number_gt                920
_reflns_number_total             1587
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5ra09267a2.cif
_cod_data_source_block           shelx
_cod_database_code               7235933
_shelx_estimated_absorpt_t_min   0.326
_shelx_estimated_absorpt_t_max   0.532
_shelxl_version_number           2014/6
_shelx_res_checksum              68526