Information card for entry 7232978

Structure parameters

• Common name: Catena-bis-chloro-di(3-cyanopyridine)ferrat(II)
• Chemical name: catena-bis-chloro-di(3-cyanopyridine)ferrat(II)
• Formula: C12 H8 Cl2 Fe N4
• Calculated formula: C12 H8 Cl2 Fe N4
• SMILES: [Fe]1([n]2cccc(C#N)c2)([n]2cccc(C#N)c2)[Cl][Fe]([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: 3.64403 ± 0.00018 Å
• b: 13.81346 ± 0.00076 Å
• c: 13.1192 ± 0.0011 Å
• α: 90°
• β: 98.5316 ± 0.0067°
• γ: 90°
• Cell volume: 653.07 ± 0.07 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: 1.6997
• Goodness-of-fit parameter for all reflections: 1.525
• 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