Information card for entry 4346808

Structure parameters

• Formula: C32 H26 Cu2 I2 N4 P2
• Calculated formula: C32 H26 Cu2 I2 N4 P2
• SMILES: c1cccc2[n]1[Cu]1(I)[n]3ccccc3[P]2(c2ccccc2)[Cu]2(I)[n]3c([P]1(c1cccc[n]21)c1ccccc1)cccc3
• 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: 9.209 ± 0.005 Å
• b: 9.664 ± 0.006 Å
• c: 9.664 ± 0.004 Å
• α: 91.015 ± 0.011°
• β: 92.098 ± 0.009°
• γ: 112.038 ± 0.017°
• Cell volume: 796.2 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0263
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No