Information card for entry 7009272

Structure parameters

• Formula: C30 H24 N6
• Calculated formula: C30 H24 N6
• SMILES: c1(cc(ccc1)Cn1ccc(c2ccccn2)n1)c1cc(ccc1)Cn1ccc(c2ccccn2)n1
• Title of publication: Effects of metal co-ordination geometry on self-assembly: a dinuclear double helicate complex and a tetranuclear cage complex of a new bis-bidentate bridging ligand
• Authors of publication: Paul, Rowena L.; Couchman, Samantha M.; Jeffery, John C.; McCleverty, Jon A.; Reeves, Zoe R.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 845
• a: 6.0948 ± 0.0008 Å
• b: 10.967 ± 0.002 Å
• c: 17.606 ± 0.003 Å
• α: 90 ± 0.02°
• β: 94.066 ± 0.015°
• γ: 90 ± 0.013°
• Cell volume: 1173.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.0867
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No