Information card for entry 7025358

Structure parameters

• Common name: ReMnCube-MeCN
• Formula: C184 H168 Cl4 Mn4 N16 O16 P12 Re4
• Calculated formula: C184 H168 Mn4 N16 P12 Re4
• SMILES: [Re]1234([P](c5ccccc5)(CC(C[P]1(c1ccccc1)c1ccccc1)(C)C[P]2(c1ccccc1)c1ccccc1)c1ccccc1)C#[N][Mn]1([N]#CC)[N]#C[Re]256([P](c7ccccc7)(c7ccccc7)CC(C[P]5(c5ccccc5)c5ccccc5)(C[P]2(c2ccccc2)c2ccccc2)C)C#[N][Mn]([N]#C[Re]257([P](c8ccccc8)(c8ccccc8)CC(C[P]2(c2ccccc2)c2ccccc2)(C)C[P]5(c2ccccc2)c2ccccc2)C#[N][Mn]([N]#C4)([N]#C[Re]24([P](c5ccccc5)(CC(C)(C[P]4(c4ccccc4)c4ccccc4)C[P]2(c2ccccc2)c2ccccc2)c2ccccc2)(C#[N][Mn]([N]#C6)([N]#C7)[N]#CC)C#[N]1)[N]#CC)([N]#C3)[N]#CC
• Title of publication: Use of a rhenium cyanide nanomagnet as a building block for new clusters and extended networks.
• Authors of publication: Karadas, Ferdi; Avendano, Carolina; Hilfiger, Matthew G.; Prosvirin, Andrey V.; Dunbar, Kim R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4968 - 4977
• a: 24.5782 ± 0.0008 Å
• b: 25.4175 ± 0.0008 Å
• c: 31.9582 ± 0.0009 Å
• α: 90°
• β: 105.908 ± 0.002°
• γ: 90°
• Cell volume: 19200.2 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.1995
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.25
• Weighted residual factors for all reflections included in the refinement: 0.3122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No