Information card for entry 7025150

Structure parameters

• Formula: C233 H340 F6 Fe4 N49 Ni6 O43 P
• Calculated formula: C199.98 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: 19.574 ± 0.003 Å
• b: 19.574 ± 0.003 Å
• c: 35.075 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11638 ± 4 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: 0.1577
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.775
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No