Information card for entry 2234981

Structure parameters

• Chemical name: Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) (dimethylformamide-κ<i>O</i>)pentakis(thiocyanato-κ<i>N</i>)chromate(III)
• Formula: C26 H49 Cr Mn N12 O7 S5
• Calculated formula: C26 H49 Cr Mn N12 O7 S5
• SMILES: [Cr](N=C=S)(N=C=S)(N=C=S)(N=C=S)(N=C=S)[O]=CN(C)C.[Mn]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) (dimethylformamide-κ<i>O</i>)pentakis(thiocyanato-κ<i>N</i>)chromate(III)
• Authors of publication: Semenaka, Valentyna V.; Nesterova, Oksana V.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkin, Oleg V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m823
• a: 15.327 ± 0.003 Å
• b: 17.742 ± 0.002 Å
• c: 17.278 ± 0.002 Å
• α: 90°
• β: 110.36 ± 0.02°
• γ: 90°
• Cell volume: 4404.9 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2032
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes