Information card for entry 7202319

Structure parameters

• Formula: C46 H45 Mn N18 O0.5
• Calculated formula: C46 H45 Mn N18 O0.5
• 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: 24.958 ± 0.004 Å
• b: 24.637 ± 0.004 Å
• c: 8.1686 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5022.8 ± 1.4 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: 0.1668
• Residual factor for significantly intense reflections: 0.1278
• Weighted residual factors for significantly intense reflections: 0.3078
• Weighted residual factors for all reflections included in the refinement: 0.3484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No