Information card for entry 4314483

Structure parameters

• Formula: C18 H16 N4
• Calculated formula: C18 H16 N4
• SMILES: c1ccc(C(c2ccc[nH]2)c2ccc(cc2)n2cccn2)[nH]1
• Title of publication: Assembly of Heteroleptic Copper Complexes with Silver Salts: From Discrete Trinuclear Complexes to Infinite Networks
• Authors of publication: Dmitry Pogozhev; Stéphane A. Baudron; Mir Wais Hosseini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 331 - 338
• a: 9.268 ± 0.0003 Å
• b: 17.7535 ± 0.0005 Å
• c: 9.3468 ± 0.0003 Å
• α: 90°
• β: 109.29 ± 0.001°
• γ: 90°
• Cell volume: 1451.58 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No