Information card for entry 7202497

Structure parameters

• Chemical name: μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate
• Formula: C20 H30 Cr2 F6 P5 Sb
• Calculated formula: C20 H30 Cr2 F6 P5 Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[c]12([c]3([c]4([c]5([c]1(C)[Cr]16782345[P]23[P]41[P]16[P]57[P]82[Cr]26783415[c]1([c]8([c]7([c]6([c]21C)C)C)C)C)C)C)C)C
• Title of publication: Structural?magnetic correlations on the first dinuclear spin crossover d4 system
• Authors of publication: Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 485
• a: 22.9383 ± 0.0011 Å
• b: 21.2836 ± 0.001 Å
• c: 22.9242 ± 0.0012 Å
• α: 90°
• β: 101.227 ± 0.002°
• γ: 90°
• Cell volume: 10977.6 ± 0.9 ų
• Cell temperature: 70 ± 2 K
• Ambient diffraction temperature: 70 ± 2 K
• Number of distinct elements: 6
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No