Information card for entry 2203710

Structure parameters

• Common name: 1,2-bis(4-pyridyl)ethylenium trismalonatochromate(3-) octahydrate
• Chemical name: 1,2-bis(4-pyridyl)ethylenium tris(malonato-κ^2^O,O') chromate(III)-water (1/8)
• Formula: C45 H55 Cr N6 O20
• Calculated formula: C45 H55 Cr N6 O20
• Title of publication: The tris(malonato)chromate(III) anion with an organic cation
• Authors of publication: Ghosh, Dipesh; Powell, Doug R.; Van Horn, J. David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m764 - m766
• a: 21.319 ± 0.004 Å
• b: 11.997 ± 0.002 Å
• c: 38.3 ± 0.006 Å
• α: 90°
• β: 100.632 ± 0.003°
• γ: 90°
• Cell volume: 9628 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes