Information card for entry 4335724

Structure parameters

• Formula: C25 H12 N6 O7
• Calculated formula: C25 H12 N6 O7
• SMILES: O1c2nc(Oc3cc4Oc5nc(Oc6cc1cc(Oc1nc(Oc(c4)c3)cnc1)c6)cnc5)cnc2.OC
• Title of publication: A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers
• Authors of publication: Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9309 - 9319
• a: 12.3325 ± 0.0006 Å
• b: 13.9068 ± 0.0007 Å
• c: 14.5927 ± 0.0008 Å
• α: 110.871 ± 0.002°
• β: 90.663 ± 0.002°
• γ: 95.055 ± 0.002°
• Cell volume: 2326.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No