Information card for entry 7021951

Structure parameters

• Formula: C44 H52 F18 N9 P3 Rh2
• Calculated formula: C44 H52 F18 N9 P3 Rh2
• SMILES: [Rh]12345(n6n[n]([Rh]789%10%11([n]%12ccccc%12c%12[n]7cccc%12)[c]7([c]8([c]9([c]%10([c]%117C)C)C)C)C)nc6C)([n]6ccccc6c6[n]1cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 12.9484 ± 0.0006 Å
• b: 21.524 ± 0.0009 Å
• c: 20.3894 ± 0.0009 Å
• α: 90°
• β: 108.669 ± 0.001°
• γ: 90°
• Cell volume: 5383.6 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0375
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No