Information card for entry 7020270

Structure parameters

• Formula: C64 H46 Fe2 N20 Ni2 O8
• Calculated formula: C64 H46 Fe2 N20 Ni2 O8
• Title of publication: A rectangular Ni-Fe cluster with unusual cyanide bridges.
• Authors of publication: Krüger, Christoph; Sato, Hiroki; Matsumoto, Takuto; Shiga, Takuya; Newton, Graham N.; Renz, Franz; Oshio, Hiroki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 37
• Pages of publication: 11270 - 11272
• a: 13.334 ± 0.002 Å
• b: 20.437 ± 0.003 Å
• c: 11.9421 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3254.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No