Information card for entry 7716134

Structure parameters

• Formula: C48 H38 Fe3 I2 O4 P2
• Calculated formula: C48 H38 Fe3 I2 O4 P2
• Title of publication: Amine-catalyzed substitution in CpFe(CO)₂I by phosphine and bisphosphine ligands.
• Authors of publication: Kosińska, Aneta; Jamroz, Daria; Rybarczyk-Pirek, Agnieszka J; Wojtulewski, Sławomir; Palusiak, Marcin; Zakrzewski, Janusz; Rudolf, Bogna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 21.4111 ± 0.0002 Å
• b: 21.4111 ± 0.0002 Å
• c: 19.0714 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8743 ± 0.18 ų
• Cell temperature: 100.1 ± 0.9 K
• Ambient diffraction temperature: 100.1 ± 0.9 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No