Information card for entry 4346075

Structure parameters

• Formula: C114 H94 Cu6 F12 N4 P8
• Calculated formula: C114 H94 Cu6 F12 N4 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: 14.2002 ± 0.0009 Å
• b: 16.4108 ± 0.0011 Å
• c: 23.8156 ± 0.0015 Å
• α: 90°
• β: 97.291 ± 0.001°
• γ: 90°
• Cell volume: 5505 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No