Information card for entry 2215466

Structure parameters

• Chemical name: 1,1'-[1,4-Phenylenebis(methylene)]dipyridinium hexacyanidoferrate(II) octahydrate
• Formula: C42 H52 Fe N10 O8
• Calculated formula: C42 H52 Fe N10 O8
• SMILES: C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.c1cccc[n+]1Cc1ccc(C[n+]2ccccc2)cc1.[n+]1(ccccc1)Cc1ccc(C[n+]2ccccc2)cc1.O.O.O.O.O.O.O.O
• Title of publication: 1,1'-[1,4-Phenylenebis(methylene)]dipyridinium hexacyanidoferrate(II) octahydrate
• Authors of publication: Tang, Ming-Sheng; Wu, Yang-Jie; Liu, Xiu-Cun; Du, Chen-Xia; Niu, Yun-Yin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2517 - m2517
• a: 9.4119 ± 0.0014 Å
• b: 10.7164 ± 0.0016 Å
• c: 12.321 ± 0.003 Å
• α: 104.955 ± 0.002°
• β: 101.123 ± 0.003°
• γ: 104.538 ± 0.002°
• Cell volume: 1117.2 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes