Information card for entry 4333239

Structure parameters

• Formula: C8 H9 N7
• Calculated formula: C8 H9 N7
• SMILES: N/C(=N\C(=N)n1nccc1)n1nccc1
• Title of publication: Isolation of a Pentadentate Ligand and Stepwise Synthesis, Structures, and Magnetic Properties of a New Family of Homo- and Heterotrinuclear Complexes
• Authors of publication: Zheng, Ling-Ling; Zhang, Wei-Xiong; Qin, Lian-Jing; Leng, Ji-Dong; Lu, Jun-Xian; Tong, Ming-Liang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9548 - 9557
• a: 7.6816 ± 0.0018 Å
• b: 11.482 ± 0.003 Å
• c: 11.716 ± 0.003 Å
• α: 98.347 ± 0.005°
• β: 102.806 ± 0.004°
• γ: 100.994 ± 0.004°
• Cell volume: 970 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No