Information card for entry 7103543

Structure parameters

• Formula: C94.4 H76.8 N23.2 Ni2.4 Os1.6
• Calculated formula: C94.4 H76.8 N23.2 Ni2.4 Os1.6
• SMILES: [Os]12(C#N)(C#N)(C#N)C#[N][Ni]34([n]5cc(C)c(C)c6ccc7c(C)c(C)c[n]3c7c56)([n]3cc(C)c(C)c5ccc6c(C)c(C)c[n]4c6c35)[N]#C[Os](C#N)(C#N)(C#N)(C#[N][Ni]34([n]5cc(C)c(C)c6ccc7c(C)c(C)c[n]3c7c56)([n]3cc(C)c(C)c5ccc6c(C)c(C)c[n]4c6c35)[N]#C2)C#[N][Ni]23([n]4cc(C)c(C)c5ccc6c(C)c(C)c[n]2c6c45)([n]2cc(C)c(C)c4ccc5c(C)c(C)c[n]3c5c24)[N]#C1.C(#N)C.C(C)#N.C(C)#N.C(C)#N.N#CC
• Title of publication: Hexacyanoosmate(iii) chemistry: preparation and magnetic properties of a pentanuclear cluster and a Prussian blue analogue with Ni(ii).
• Authors of publication: Hilfiger, Matthew G; Shatruk, Michael; Prosvirin, Andrey; Dunbar, Kim R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 5752 - 5754
• a: 19.403 ± 0.014 Å
• b: 25.613 ± 0.018 Å
• c: 24.962 ± 0.017 Å
• α: 90°
• β: 98.152 ± 0.01°
• γ: 90°
• Cell volume: 12280 ± 15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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 for all reflections: 0.1679
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.231
• Weighted residual factors for all reflections included in the refinement: 0.2768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No