Information card for entry 7014489

Structure parameters

• Formula: C20 H15 N3
• Calculated formula: C20 H15 N3
• SMILES: c1ccc(C(=c2cccn2)c2ccc(cc2)c2ccncc2)[nH]1
• Title of publication: Dipyrrin based silver [2 + 2] metallamacrocycles.
• Authors of publication: Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 437 - 445
• a: 11.1131 ± 0.0003 Å
• b: 7.2051 ± 0.0002 Å
• c: 19.4251 ± 0.0005 Å
• α: 90°
• β: 105.527 ± 0.001°
• γ: 90°
• Cell volume: 1498.62 ± 0.07 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: 0.0523
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No