Information card for entry 4346071

Structure parameters

• Formula: C226 H192 Cl12 Cu12 F24 O8 P16
• Calculated formula: C226 H192 Cl12 Cu12 F24 O8 P16
• Title of publication: Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters.
• Authors of publication: Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8288 - 8297
• a: 21.0775 ± 0.0012 Å
• b: 26.4675 ± 0.0016 Å
• c: 20.7522 ± 0.0013 Å
• α: 90°
• β: 96.572 ± 0.004°
• γ: 90°
• Cell volume: 11500.9 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.1246
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No