Information card for entry 4347005

Structure parameters

• Formula: C43 H33 Cu N P3
• Calculated formula: C43 H33 Cu N P3
• SMILES: C(#N)[Cu]12[P](c3ccccc3)(c3ccccc3)c3ccccc3[P]1(c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1
• Title of publication: Luminescent Triphosphine Cyanide d(10) Metal Complexes.
• Authors of publication: Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2174 - 2184
• a: 13.6045 ± 0.0005 Å
• b: 18.3405 ± 0.0007 Å
• c: 13.6196 ± 0.0005 Å
• α: 90°
• β: 95.967 ± 0.002°
• γ: 90°
• Cell volume: 3379.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0666
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No