Information card for entry 7202320

Structure parameters

• Formula: C46 H48 N18 Ni O2
• Calculated formula: C46 H44 N18 Ni O2
• Title of publication: Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands
• Authors of publication: Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1855
• a: 24.893 ± 0.002 Å
• b: 24.682 ± 0.002 Å
• c: 8.1486 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5006.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1739
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No