Information card for entry 7111101

Structure parameters

• Formula: C60 H48 N14 O18 Zn
• Calculated formula: C60 H48 N14 O18 Zn
• SMILES: N(=O)(=O)[O-].[Zn]([O]=n1ccc(cc1)c1ccn(cc1)=O)([O]=n1ccc(cc1)c1ccn(cc1)=O)([O]=n1ccc(cc1)c1ccn(cc1)=O)([O]=n1ccc(cc1)c1ccn(cc1)=O)([O]=n1ccc(cc1)c1ccn(cc1)=O)[O]=n1ccc(cc1)c1ccn(cc1)=O.N(=O)(=O)[O-]
• Title of publication: Can 4,4′-bipyridine N,N’-dioxide play the same important role as 4,4′-bipyridine in the construction of metal coordination networks and crystal engineering?
• Authors of publication: Long, De-Liang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 2273
• a: 8.8202 ± 0.0009 Å
• b: 11.6805 ± 0.001 Å
• c: 14.006 ± 0.002 Å
• α: 104.589 ± 0.006°
• β: 96.265 ± 0.006°
• γ: 99.082 ± 0.006°
• Cell volume: 1362.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No