Information card for entry 4333484

Structure parameters

• Common name: meso-(4-pyridyl)dipyrrin
• Formula: C14 H11 N3
• Calculated formula: C14 H11 N3
• SMILES: c1ccc(=C(c2ccc[nH]2)c2ccncc2)n1
• Title of publication: Rare Examples of Transition-Metal−Main-Group Metal Heterometallic Metal−Organic Frameworks from Gallium and Indium Dipyrrinato Complexes and Silver Salts: Synthesis and Framework Variability
• Authors of publication: Stork, Jay R.; Thoi, Van S.; Cohen, Seth M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11213 - 11223
• a: 9.3464 ± 0.0007 Å
• b: 7.1262 ± 0.0005 Å
• c: 16.112 ± 0.0011 Å
• α: 90°
• β: 92.993 ± 0.003°
• γ: 90°
• Cell volume: 1071.66 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No