Information card for entry 7051169

Structure parameters

• Formula: C51 H53 Fe P Si2
• Calculated formula: C45 H41 Fe P Si2
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[Si](C1P2C(=C(C(C=1c1ccccc1)C(=C2c1ccccc1)c1ccccc1)c1ccccc1)[Si]([c]15[cH]6[cH]7[cH]8[cH]91)(C)C)(C)C
• Title of publication: Synthesis, reactivity and X-Ray crystal structure of a free 1-phospha- barrelene: application to the synthesis of 1,1'-Bis(dimethylsilyl- phosphinine)ferrocene.
• Authors of publication: Welfele Sebastien; Mezailles Nicolas; Maigrot Nicole; Ricard Louis; Mathey Francois; Le Floch Pascla
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• a: 11.197 ± 0.005 Å
• b: 12.256 ± 0.005 Å
• c: 16.462 ± 0.005 Å
• α: 83.37 ± 0.005°
• β: 80.06 ± 0.005°
• γ: 67.75 ± 0.005°
• Cell volume: 2056.4 ± 1.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No