Information card for entry 7110620

Structure parameters

• Formula: C19 H28 Fe2 N2 O6 P2
• Calculated formula: C19 H28 Fe2 N2 O6 P2
• SMILES: [Fe]12([Fe]3([P]1(C(=[P]23)N(C(C)C)C(C)C)N(C(C)C)C(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 9.885 ± 0.002 Å
• b: 18.173 ± 0.003 Å
• c: 14.729 ± 0.003 Å
• α: 90°
• β: 99.85 ± 0.02°
• γ: 90°
• Cell volume: 2606.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections: 0.1942
• Weighted residual factors for significantly intense reflections: 0.1628
• Goodness-of-fit parameter for all reflections: 1.007
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No