Information card for entry 7025149

Structure parameters

• Formula: C231 H332 F6 Fe4 N49 Ni6 O41 P
• Calculated formula: C199.985 H168 F6 Fe4 N49 Ni6 P
• Title of publication: Ferromagnetically coupled chiral cyanide-bridged {Ni6Fe4} cages
• Authors of publication: Shiga, Takuya; Newton, Graham N.; Mathieson, Jennifer S.; Tetsuka, Tamaki; Nihei, Masayuki; Cronin, Leroy; Oshio, Hiroki
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4730
• a: 19.567 ± 0.005 Å
• b: 19.567 ± 0.005 Å
• c: 35.123 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11646 ± 6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.1489
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No