Information card for entry 7005308

Structure parameters

• Formula: C8 H7 N5
• Calculated formula: C8 H7 N5
• SMILES: n1ccncc1Nc1nccnc1
• Title of publication: New versatile ligand family, pyrazine-modulated oligo-alpha-pyridylamino ligands, from coordination polymer to extended metal atom chains.
• Authors of publication: Ismayilov, Rayyat Huseyn; Wang, Wen-Zhen; Lee, Gene-Hsiang; Wang, Rui-Ren; Liu, Isiah Po-Chun; Yeh, Chen-Yu; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2898 - 2907
• a: 11.9865 ± 0.0007 Å
• b: 3.7315 ± 0.0002 Å
• c: 17.5501 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 784.97 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No