Information card for entry 7020269

Structure parameters

• Formula: C36 H26 Fe2 K4 N16 O2
• Calculated formula: C36 H26 Fe2 K4 N16 O2
• 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: 8.408 ± 0.004 Å
• b: 20.572 ± 0.01 Å
• c: 24.726 ± 0.013 Å
• α: 90°
• β: 99.789 ± 0.007°
• γ: 90°
• Cell volume: 4215 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No