Information card for entry 7122875

Structure parameters

• Formula: C222 H276 Mo6 N90 Ni12 O6
• Calculated formula: C222 H276 Mo6 N90 Ni12 O6
• Title of publication: A cyanide-bridged wheel featuring a seven-coordinate Mo(III) center
• Authors of publication: Kempe, David Kenneth; Dolinar, Brian; Vignesh, Kuduva R.; Woods, Toby; Saber, Mohamed R.; Dunbar, Kim R.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 20.8632 ± 0.0017 Å
• b: 20.9777 ± 0.0019 Å
• c: 21.0033 ± 0.0018 Å
• α: 105.168 ± 0.003°
• β: 105.407 ± 0.002°
• γ: 104.914 ± 0.002°
• Cell volume: 8008.1 ± 1.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.1361
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No