New platinum(II) complexes with benzothiazole ligands
Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique; Acta Crystallographica Section E 72 (2016) 412–416; doi:10.1107/S2056989016002826

data_2241579
_publ_section_title
;
 New platinum(II) complexes with benzothiazole ligands
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              412
_journal_page_last               416
_journal_paper_doi               10.1107/S2056989016002826
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '(C8 H20 N) [Pt Br3 (C10 H11 N S)]'
_chemical_formula_moiety         'C8 H20 N +,  C10 H11 Br3 N Pt S -'
_chemical_formula_sum            'C18 H31 Br3 N2 Pt S'
_chemical_formula_weight         742.33
_chemical_name_systematic
;
Tetraethylammonium
tribromido(2,5,6-trimethyl-1,3-benzothiazole-\k<i>N</i>)platinate(II)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
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_cell_length_b                   30.2807(14)
_cell_length_c                   9.6427(5)
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_cell_measurement_theta_max      26.436
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_computing_cell_refinement
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SAINT (Bruker, 2013)
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_computing_data_collection
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APEX2 (Bruker, 2013)
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_computing_data_reduction
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SAINT (Bruker, 2013)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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SHELXL2014 (Sheldrick, 2015b)
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SHELXT (Sheldrick, 2015a)
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_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'Kappa Four-Circle Diffractometer'
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Double Bounce Multilayer Mirrors'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0479
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_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -10
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_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.461
_diffrn_reflns_theta_min         2.249
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.448
_exptl_absorpt_correction_T_max  0.0276
_exptl_absorpt_correction_T_min  0.0030
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
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_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.878
_refine_diff_density_min         -1.021
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4692
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0560P)^2^+1.6623P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1055
_reflns_number_gt                4120
_reflns_number_total             4692
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           3
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_shelx_estimated_absorpt_t_min   0.069
_shelx_estimated_absorpt_t_max   0.162
_shelx_hkl_checksum              20669
_shelx_res_checksum              64690
_cod_database_fobs_code 2241579