Information card for entry 2239712

Structure parameters

• Chemical name: <i>catena</i>-Poly[[<i>trans</i>-bis(1,3-benzothiazole-κ<i>N</i>)manganese(II)]-di-μ-chlorido]
• Formula: C14 H10 Cl2 Mn N2 S2
• Calculated formula: C14 H10 Cl2 Mn N2 S2
• SMILES: [Mn]1([n]2c3ccccc3sc2)([n]2c3ccccc3sc2)[Cl][Mn]([Cl]1)([n]1c2ccccc2sc1)([n]1c2ccccc2sc1)(Cl)Cl
• Title of publication: <i>catena</i>-Poly[[<i>trans</i>-bis(1,3-benzothiazole-κ<i>N</i>)manganese(II)]-di-μ-chlorido]
• Authors of publication: Bouchareb, Hasna; Benmebarek, Sabrina; Bouacida, Sofiane; Merazig, Hocine; Boudraa, Mhamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: m275
• a: 14.761 ± 0.006 Å
• b: 14.761 ± 0.006 Å
• c: 7.17 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1562.3 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes