Information card for entry 7110621

Structure parameters

• Formula: C23 H28 Fe3 N2 O10 P2
• Calculated formula: C23 H28 Fe3 N2 O10 P2
• SMILES: C1(=P2([Fe]3([P]1([Fe](C#[O])(C#[O])(C#[O])C#[O])[Fe]23(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])N(C(C)C)C(C)C)N(C(C)C)C(C)C
• Title of publication: Ligand properties of 1H-diphosphirenes and diphosphirenylium salts towards iron carbonyl fragments
• Authors of publication: Bourissou, Didier; Canac, Yves; Gornitzka, Heinz; Baceiredo, Antoine; Bertrand, Guy
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 1535
• a: 15.7039 ± 0.0004 Å
• b: 19.5502 ± 0.0004 Å
• c: 20.336 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6243.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No