Information card for entry 7707796

Structure parameters

• Formula: C62 H68 Cl4 Co5 N10 O22 V2
• Calculated formula: C62 H68 Cl4 Co5 N10 O22 V2
• Title of publication: [(V^IVO)₂MII5] (M = Ni, Co) Anderson wheels.
• Authors of publication: Fraser, Hector W. L.; Payne, Emily H.; Sarkar, Arup; Wilson, Lucinda R. B.; Mitcov, Dmitri; Nichol, Gary S.; Rajaraman, Gopalan; Piligkos, Stergios; Brechin, Euan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 36
• Pages of publication: 12495 - 12501
• a: 15.7439 ± 0.0009 Å
• b: 12.4867 ± 0.0005 Å
• c: 18.9773 ± 0.0012 Å
• α: 90°
• β: 106.591 ± 0.006°
• γ: 90°
• Cell volume: 3575.4 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No