Information card for entry 7014490

Structure parameters

• Formula: C18 H14 N4
• Calculated formula: C18 H14 N4
• SMILES: c1ccc(C(=c2cccn2)c2ccc(cc2)n2cncc2)[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: 12.827 ± 0.0006 Å
• b: 12.5383 ± 0.0005 Å
• c: 18.626 ± 0.0008 Å
• α: 90°
• β: 108.777 ± 0.002°
• γ: 90°
• Cell volume: 2836.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No