Information card for entry 7127616

Structure parameters

• Formula: C14 H17 P
• Calculated formula: C14 H17 P
• 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: 8.0727 ± 0.0002 Å
• b: 8.74422 ± 0.00019 Å
• c: 18.4065 ± 0.0004 Å
• α: 103.174 ± 0.0017°
• β: 92.6248 ± 0.0019°
• γ: 100.705 ± 0.002°
• Cell volume: 1237.81 ± 0.05 ų
• Cell temperature: 150 ± 0.01 K
• Ambient diffraction temperature: 150 ± 0.01 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No