Information card for entry 2242064

Structure parameters

• Chemical name: <i>trans</i>-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)]
• Formula: C32 H16 N2 O8 Re2 S2
• Calculated formula: C32 H16 N2 O8 Re2 S2
• SMILES: c12c(cccc1)[n]1c(c3c([O]4[Re]1(C#[O])(C#[O])(C#[O])[O]1c5c(c6[n](c7c(cccc7)s6)[Re]41(C#[O])(C#[O])C#[O])cccc5)cccc3)s2
• Title of publication: 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)]
• Authors of publication: Priyatharsini, Maruthupandiyan; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Srinivasan, Navaneethakrishnan; Krishnakumar, Rajaputi Venkatraman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 310 - 313
• a: 8.925 ± 0.0011 Å
• b: 9.7342 ± 0.0012 Å
• c: 10.0844 ± 0.0012 Å
• α: 66.438 ± 0.005°
• β: 75.636 ± 0.005°
• γ: 63.585 ± 0.005°
• Cell volume: 716.58 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes