Information card for entry 7108178

Structure parameters

• Formula: C53.5 H53.5 Fe2 P2
• Calculated formula: C53.5 H53.5 Fe2 P2
• Title of publication: Synthesis of a stable 1,2-bis(ferrocenyl)diphosphene
• Authors of publication: Takahiro Sasamori; Michiyasu Sakagami; Masatoshi Niwa; Heisuke Sakai; Yukio Furukawa; Norihiro Tokitoh
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8562
• a: 14.0951 ± 0.0001 Å
• b: 17.492 ± 0.0002 Å
• c: 19.8743 ± 0.0002 Å
• α: 107.86 ± 0.0006°
• β: 90.2326 ± 0.0005°
• γ: 103.78 ± 0.0006°
• Cell volume: 4513.86 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0425
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No