Information card for entry 7037122

Structure parameters

• Formula: C15 H11 Cr Fe O5 P
• Calculated formula: C15 H11 Cr Fe O5 P
• SMILES: [Fe]12345678([c]9([PH2][Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.
• Authors of publication: Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2208 - 2217
• a: 11.8262 ± 0.0002 Å
• b: 12.9247 ± 0.0002 Å
• c: 20.5761 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3145.06 ± 0.09 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No