Information card for entry 4312412

Structure parameters

• Chemical name: Strontium tetracyanonickelate(II) pentahydrate
• Formula: C8 H20 N8 Ni2 O10 Sr2
• Calculated formula: C8 H20 N8 Ni2 O10 Sr2
• SMILES: [Sr]1([OH2])([OH2])([OH2][Sr]([OH2])([OH2])([OH2]1)([OH2])[OH2])([OH2])[OH2].[Ni](C#N)(C#N)(C#N)C#N.[Ni](C#N)(C#N)(C#N)C#N
• Title of publication: A Solid-State Spectral Effect in Eclipsed Tetracyanonickelates: X-ray Crystal Structure, Polarized Specular Reflectance Spectroscopy, and ZINDO Modeling of Sr[Ni(CN)4].5H2O, Rb2[Ni(CN)4].H2O, and Na2[Ni(CN)4].3H2O
• Authors of publication: Frank R. Fronczek; Terry J. Delord; Steven F. Watkins; Petia Gueorguieva; George G. Stanley; Annegret S. Zizza; Jeffrey B. Cornelius; Yves A. Mantz; Ronald L. Musselman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7026 - 7036
• a: 10.356 ± 0.002 Å
• b: 15.272 ± 0.003 Å
• c: 7.1331 ± 0.001 Å
• α: 90°
• β: 98.548 ± 0.012°
• γ: 90°
• Cell volume: 1115.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No