Information card for entry 7127619

Structure parameters

• Formula: C18 H22 Zr
• Calculated formula: C18 H22 Zr
• 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: 14.1554 ± 0.0008 Å
• b: 9.6976 ± 0.0004 Å
• c: 12.0182 ± 0.0006 Å
• α: 90°
• β: 112.336 ± 0.006°
• γ: 90°
• Cell volume: 1526 ± 0.15 ų
• Cell temperature: 150 ± 0.3 K
• Ambient diffraction temperature: 150 ± 0.3 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No