Information card for entry 7127613

Structure parameters

• Formula: C16 H24 Fe P2
• Calculated formula: C16 H24 Fe P2
• Title of publication: Low-spin 1,1'-diphosphametallocenates of chromium and iron.
• Authors of publication: Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 595 - 598
• a: 14.2948 ± 0.0007 Å
• b: 12.8549 ± 0.0006 Å
• c: 8.8448 ± 0.0004 Å
• α: 90°
• β: 104.364 ± 0.005°
• γ: 90°
• Cell volume: 1574.5 ± 0.13 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No