Information card for entry 7012633

Structure parameters

• Formula: C48 H52 Fe N6 O2 P3
• Calculated formula: C48 H52 Fe N6 O2 P3
• Title of publication: Nanoclusters of phenylphosphonium cations and cyanoferrate anions in the gas phase, and the principles of association of these ions in crystals
• Authors of publication: Dean, Philip A. W.; Fisher, Keith; Craig, Don; Jennings, Michael; Ohene-Fianko, Ohenewa; Scudder, Marcia; Willett, Gary; Dance, Ian
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1520
• a: 24.8172 ± 0.0004 Å
• b: 9.1563 ± 0.0002 Å
• c: 21.3197 ± 0.0004 Å
• α: 90°
• β: 107.703 ± 0.001°
• γ: 90°
• Cell volume: 4615.14 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No