Crystal structure of the <i>cis</i> and <i>trans</i> polymorphs of bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]
Priyatharsini, Maruthupandiyan; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Srinivasan, Navaneethakrishnan; Krishnakumar, Rajaputi Venkatraman; Acta Crystallographica Section E 73 (2017) 310–313; doi:10.1107/S2056989017001347

data_2242064
_publ_section_title
;
 Crystal structure of the <i>cis</i> and <i>trans</i> polymorphs of
 bis[\m-2-(1,3-benzothiazol-2-yl)phenolato]-\k^3^<i>N</i>,<i>O</i>:<i>O</i>;\k^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]
;
_journal_coeditor_code           RZ5204
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              310
_journal_page_last               313
_journal_paper_doi               10.1107/S2056989017001347
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Re2 (C13 H8 N1 O1 S1)2 (C O)6]'
_chemical_formula_moiety         'C32 H16 N2 O8 Re2 S2'
_chemical_formula_sum            'C32 H16 N2 O8 Re2 S2'
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_chemical_name_systematic
<i>trans</i>-Bis[\m-2-(1,3-benzothiazol-2-yl)phenolato]-\k^3^<i>N</i>,<i>O</i>:<i>O</i>;\k^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]
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;
SAINT (Bruker, 2009)
;
_computing_data_collection
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APEX2 (Bruker, 2009)
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SAINT (Bruker, 2009)
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_computing_molecular_graphics
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PLUTON (Spek, 2009)
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publCIF (Westrip, 2010)
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SHELXL2014 (Sheldrick, 2015)
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SHELXS2013 (Sheldrick, 2008)
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_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_l_max       13
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_diffrn_reflns_theta_full        25.242
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2009)
;
_exptl_crystal_colour            yellow
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_exptl_crystal_description       needle
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_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
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_refine_diff_density_min         -2.738
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_refine_ls_number_reflns         3325
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0355
_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^)+(0.0558P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0876
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_reflns_threshold_expression     'I > 2\s(I)'
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