Information card for entry 4061920

Structure parameters

• Formula: C30 H22 Fe N O5 P W
• Calculated formula: C30 H22 Fe N O5 P W
• SMILES: [W]1([O]=CC2=P([c]34[cH]5[Fe]6789%10%113([c]4(C(=[N]12)C)[cH]7[cH]56)[cH]1[cH]%11[cH]9[cH]%10[cH]81)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: 1,2-Ferrocenediylazaphosphinines: An Unusual Coordination Behavior and Application to Allylic Alkylation
• Authors of publication: Thanh Thien Co; Seung Whan Paek; Sang Chul Shim; Chan Sik Cho; Tae-Jeong Kim; Dong Woong Choi; Sang Ook Kang; Jong Hwa Jeong
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Pages of publication: 1475
• a: 11.316 ± 0.0008 Å
• b: 13.8693 ± 0.001 Å
• c: 19.933 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3128.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1675
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No