Information card for entry 4346073

Structure parameters

• Formula: C111 H90 Cl10 Cu6 F12 P8
• Calculated formula: C111 H90 Cl10 Cu6 F12 P8
• 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: 13.98014 ± 0.0001 Å
• b: 16.50234 ± 0.00015 Å
• c: 23.7091 ± 0.0002 Å
• α: 90°
• β: 97.3259 ± 0.0008°
• γ: 90°
• Cell volume: 5425.16 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No