Information card for entry 7232979

Structure parameters

• Common name: Catena-bis-chloro-di(3-cyanopyridine)manganat(II)
• Chemical name: catena-bis-chloro-di(3-cyanopyridine)manganat(II)
• Formula: C12 H8 Cl2 Mn N4
• Calculated formula: C12 H8 Cl2 Mn N4
• SMILES: [Mn]1([n]2cccc(C#N)c2)([n]2cccc(C#N)c2)[Cl][Mn]([n]2cccc(C#N)c2)([n]2cccc(C#N)c2)(Cl)(Cl)[Cl]1
• Title of publication: Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes
• Authors of publication: Heine, Miriam; Fink, Lothar; Schmidt, Martin U.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 29
• Pages of publication: 4305
• a: 3.702978 ± 0.000044 Å
• b: 15.43091 ± 0.00037 Å
• c: 11.57802 ± 0.00031 Å
• α: 90°
• β: 91.4375 ± 0.0016°
• γ: 90°
• Cell volume: 661.36 ± 0.03 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor R(I) for significantly intense reflections: 0.01167
• Goodness-of-fit parameter for all reflections: 1.156
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No