Information card for entry 7127615

Structure parameters

• Formula: C56 H104 K2 N4 O13 P2
• Calculated formula: C56 H104 K2 N4 O13 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: 12.7189 ± 0.0008 Å
• b: 15.9437 ± 0.001 Å
• c: 17.8937 ± 0.0012 Å
• α: 64.066 ± 0.006°
• β: 85.655 ± 0.005°
• γ: 86.321 ± 0.005°
• Cell volume: 3251.9 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No