Information card for entry 7122876

Structure parameters

• Chemical name: [MoIV(CN)8]6[Ni(L)]12(H2O)6
• Formula: C38 H46 Mo N16 Ni2 O
• Calculated formula: C38 H46 Mo N16 Ni2 O
• 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: 33.6548 ± 0.0008 Å
• b: 33.6548 ± 0.0008 Å
• c: 24.819 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24345 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No