Information card for entry 7021949

Structure parameters

• Formula: C23 H26 Ir N5
• Calculated formula: C23 H26 Ir N5
• SMILES: [Ir]12345(n6nnnc6C)([n]6ccccc6c6ccccc56)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.
• Authors of publication: Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14693 - 14701
• a: 8.7519 ± 0.0005 Å
• b: 14.9783 ± 0.0007 Å
• c: 31.9899 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4193.5 ± 0.4 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No