Information card for entry 4346809

Structure parameters

• Formula: C46 H36 Cu2 I2 N6 P2
• Calculated formula: C46 H36 Cu2 I2 N6 P2
• SMILES: c1[n]2[Cu]3(I)[P]4(c5ccccc5)c5cccc[n]5[Cu](I)([n]5ccccc45)[P](c2ccc1)(c1cccc[n]31)c1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1
• Title of publication: Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.
• Authors of publication: Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 1978 - 1985
• a: 9.245 ± 0.007 Å
• b: 14.413 ± 0.011 Å
• c: 16.143 ± 0.012 Å
• α: 90°
• β: 96.8169 ± 0.001°
• γ: 90°
• Cell volume: 2136 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No