Information card for entry 7114755

Structure parameters

• Formula: C28 H30 B Fe2 N2 O4 P
• Calculated formula: C28 H30 B Fe2 N2 O4 P
• SMILES: [P](c1ccccn1)(c1ccccn1)([Fe]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O])[Fe]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O].C[B-](C)(C)C
• Title of publication: Site-selective coordination behaviour of the Py2P—anion: the N‒C‒P-allylic system as σ- and π-donor in [(PMDETA)Cs{(μ-PPy)Py}]2 and as a μ2-σ-phosphorus-donor in [{Cp(CO)2Fe}2{(μ-P)Py2}][BMe4]
• Authors of publication: Pfeiffer, Matthias; Stey, Thomas; Jehle, Heinrich; Klüpfel, Bernd; Malisch, Wolfgang; Stalke, Dietmar; Chandrasekhar, Vadapalli
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 337
• a: 13.107 ± 0.006 Å
• b: 8.403 ± 0.002 Å
• c: 26.005 ± 0.01 Å
• α: 90°
• β: 96.37 ± 0.02°
• γ: 90°
• Cell volume: 2846.5 ± 1.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No