Information card for entry 7004721

Structure parameters

• Formula: C60 H78 I2 Mn6 N6 O20
• Calculated formula: C60 H78 I2 Mn6 N6 O20
• SMILES: C1(C)=[N]2O[Mn]34([N](=C(c5c(O3)cccc5)C)O[Mn]35(Oc6ccccc6C(=[N]5O[Mn]2(I)([O]43)Oc2ccccc12)C)[OH]CC)([OH]CC)[OH]CC
• Title of publication: New structural types and different oxidation levels in the family of Mn6-oxime single-molecule magnets
• Authors of publication: Jones, Leigh F.; Inglis, Ross; Cochrane, Martyn E.; Mason, Kevin; Collins, Anna; Parsons, Simon; Perlepes, Spyros P.; Brechin, Euan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6205 - 6210
• a: 13.689 ± 0.0003 Å
• b: 23.0212 ± 0.0004 Å
• c: 11.0797 ± 0.0002 Å
• α: 90°
• β: 90.675 ± 0.001°
• γ: 90°
• Cell volume: 3491.38 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8579
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No