Information card for entry 4324858

Structure parameters

• Common name: eisjfm26
• Formula: C22 H20 N4
• Calculated formula: C22 H20 N4
• SMILES: n1nn(cc1c1ccccc1Nc1c(cccc1C)C)c1ccccc1
• Title of publication: Photoluminescent Copper(I) Complexes with Amido-Triazolato Ligands
• Authors of publication: Gerald F. Manbeck; William W. Brennessel; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3431 - 3441
• a: 8.8824 ± 0.0009 Å
• b: 13.8829 ± 0.0014 Å
• c: 14.8235 ± 0.0015 Å
• α: 90°
• β: 100.077 ± 0.002°
• γ: 90°
• Cell volume: 1799.7 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1489
• 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