Information card for entry 1517153

Structure parameters

• Formula: C56 H50 Cr2 Mn N16 O9
• Calculated formula: C56 H32 Cr2 Mn N16 O9
• SMILES: C([Cr]1(C#N)(C#N)(C#N)[n]2cccc3ccc4ccc[n]1c4c23)#[N][Mn]12([N]#C[Cr]3(C#N)(C#N)(C#N)[n]4cccc5ccc6ccc[n]3c6c45)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O.O.O.O.O.O.O.O.O
• Title of publication: Syntheses, crystal structures and magnetic properties of three cyano-bridged trinuclear clusters based on modified hexacyanometalates building blocksOriginal
• Authors of publication: Hongbo Zhou; Qian Zhang; Yuqi Yang; Yan Xu; Hu Zhou; Xiaoping Shen
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 402
• Pages of publication: 97 - 103
• a: 13.5836 ± 0.0014 Å
• b: 13.7161 ± 0.0014 Å
• c: 17.2994 ± 0.0018 Å
• α: 93.879 ± 0.002°
• β: 106.332 ± 0.002°
• γ: 99.132 ± 0.002°
• Cell volume: 3032.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No