Information card for entry 7128216

Structure parameters

• Formula: C42 H81 Cl13 Cr6 O11
• Calculated formula: C34 H65 Cl13 Cr6 O9
• Title of publication: A trinuclear chromium(iii) chlorocarbyne.
• Authors of publication: Kurogi, Takashi; Irifune, Keiichi; Enoki, Takahiro; Takai, Kazuhiko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 42
• Pages of publication: 5199 - 5202
• a: 14.106 ± 0.005 Å
• b: 16.474 ± 0.006 Å
• c: 16.918 ± 0.006 Å
• α: 110.075 ± 0.004°
• β: 97.234 ± 0.002°
• γ: 110.542 ± 0.004°
• Cell volume: 3319 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No