Information card for entry 7717856

Structure parameters

• Formula: C49 H51 Fe P
• Calculated formula: C49 H51 Fe P
• Title of publication: Contorting the hetero phosphaquinoid: synthesis and electronic insights into a non-planar, ferrocenyl phosphaquinoid.
• Authors of publication: Deka, Rajesh; Chattopadhyay, Samir; Orthaber, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3113 - 3117
• a: 10.741 ± 0.004 Å
• b: 11.706 ± 0.004 Å
• c: 17.303 ± 0.006 Å
• α: 104.924 ± 0.007°
• β: 100.81 ± 0.006°
• γ: 97.855 ± 0.007°
• Cell volume: 2025.3 ± 1.2 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3005
• Residual factor for significantly intense reflections: 0.1588
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No