Information card for entry 7012631

Structure parameters

• Formula: C21.5 H20 Fe0.5 N3 O1.5 P
• Calculated formula: C22 H20 Fe0.5 N3 O P
• 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: 9.805 ± 0.006 Å
• b: 12.026 ± 0.003 Å
• c: 17.229 ± 0.011 Å
• α: 90°
• β: 90.27 ± 0.03°
• γ: 90°
• Cell volume: 2031.5 ± 1.9 ų
• Cell temperature: 294 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 significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No