Information card for entry 4324855

Structure parameters

• Common name: eisjfm20
• Formula: C61 H61 Cu N4 O2 P2
• Calculated formula: C61 H61 Cu N4 O2 P2
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3[P]1(c1ccccc1)c1ccccc1)[n]1nn(cc1c1ccccc1N2c1c(cccc1C)C)Cc1ccccc1.O1CCCC1.O1CCCC1
• 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: 11.252 ± 0.003 Å
• b: 13.518 ± 0.003 Å
• c: 16.918 ± 0.004 Å
• α: 82.476 ± 0.004°
• β: 79.651 ± 0.004°
• γ: 86.882 ± 0.004°
• Cell volume: 2508.4 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No