Information card for entry 7232984

Structure parameters

• Common name: Catena-bis-chloro-(3-cyanopyridine)manganat(II)
• Chemical name: catena-bis-chloro-(3-cyanopyridine)manganat(II)
• Formula: C6 H4 Cl2 Mn N2
• Calculated formula: C6 H4 Cl2 Mn N2
• SMILES: [Mn]12([n]3cc(C#N)ccc3)[Cl][Mn]3([Cl]14)([n]1cc(C#N)ccc1)[Cl]1[Mn]4(Cl)([n]5cc(C#N)ccc5)([Cl]2)[Cl][Mn]1([n]1cc(C#N)ccc1)(Cl)[Cl]3
• 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: 16.53381 ± 0.00094 Å
• b: 3.69328 ± 0.00012 Å
• c: 14.45964 ± 0.00092 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 882.96 ± 0.08 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor R(I) for significantly intense reflections: 1.3538
• Goodness-of-fit parameter for all reflections: 1.266
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No