Information card for entry 4113524

Structure parameters

• Formula: C12 H6 K3 N10 Re
• Calculated formula: C10 H3 K3 N9 Re
• SMILES: C(#N)[Re](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+].C(#N)C
• Title of publication: New Cyanometalate Building Units: Synthesis and Characterization of [Re(CN)7]3- and [Re(CN)8]3-
• Authors of publication: Miriam V. Bennett; Jeffrey R. Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2394 - 2395
• a: 17.2149 ± 0.0005 Å
• b: 10.517 ± 0.0003 Å
• c: 9.3391 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1690.84 ± 0.09 ų
• Cell temperature: 134 ± 2 K
• Ambient diffraction temperature: 134 ± 2 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 for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for all reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0438
• Goodness-of-fit parameter for all reflections: 1.005
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No