Information card for entry 4346072

Structure parameters

• Formula: C118 H102 Cu6 F12 N4 O4 P8
• Calculated formula: C118 H102 Cu6 F12 N4 O4 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: 12.7133 ± 0.0002 Å
• b: 17.807 ± 0.0003 Å
• c: 24.1678 ± 0.0002 Å
• α: 88.5779 ± 0.001°
• β: 81.02 ± 0.0011°
• γ: 78.5399 ± 0.0013°
• Cell volume: 5296.33 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No