Information card for entry 7110561

Structure parameters

• Formula: C48 H88 As4 N8 Na4
• Calculated formula: C48 H88 As4 N8 Na4
• SMILES: [As]12[N]3([Na][N]4([As]5N([As]([N]([Na][N]([As](N1C1CCCCC1)N2C1CCCCC1)([Na]4)C1CCCCC1)([Na]3)C1CCCCC1)N5C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1
• Title of publication: Geometric control of cage architecture; observation of ligand-selective behaviour in the structures of [{As2(NCy)4}2M4] (M = Na, Cu; Cy = C6H11)
• Authors of publication: Bashall, Alan; McPartlin, Mary; Beswick, Michael A.; Harron, Eilis A.; Hopkins, Alexander D.; Kidd, Sara J.; Raithby, Paul R.; Wright, Dominic S.; Steiner, Alexander
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1145
• a: 24.883 ± 0.005 Å
• b: 37.424 ± 0.008 Å
• c: 11.98 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11156 ± 9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.1515
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No