Information card for entry 7021958

Structure parameters

• Formula: C45 H51 B F4 Ir N6.5 O0.25 Rh
• Calculated formula: C45 H49 B F4 Ir N6.5 O0.25 Rh
• 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: 11.6443 ± 0.0009 Å
• b: 14.1518 ± 0.0008 Å
• c: 14.4628 ± 0.0008 Å
• α: 99.082 ± 0.002°
• β: 111.484 ± 0.003°
• γ: 96.501 ± 0.004°
• Cell volume: 2151.6 ± 0.2 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No