Information card for entry 7012630

Structure parameters

• Formula: C88 H86 Fe N6 O2 P3
• Calculated formula: C88 H86 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: 15.8694 ± 0.0003 Å
• b: 17.6413 ± 0.0003 Å
• c: 26.4893 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7415.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No