Information card for entry 4346078

Structure parameters

• Formula: C106 H86 Cl8 Cu6 F12 N4 P8
• Calculated formula: C106 H86 Cl8 Cu6 F12 N4 P8
• SMILES: C12[P](c3ccccc3)(c3ccccc3)[Cu]34[C]56#Cc7cccc[n]7[Cu]([C]4#Cc4[n](cccc4)[Cu]4[C]73#Cc3cccc[n]3[Cu]3[C](#Cc8[n](cccc8)[Cu]5[P]2(c2ccccc2)c2ccccc2)[Cu]67[P](C([P]3(c2ccccc2)c2ccccc2)[P]4(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P]1(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• 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: 14.1905 ± 0.0004 Å
• b: 15.7189 ± 0.0004 Å
• c: 23.2832 ± 0.0007 Å
• α: 90°
• β: 94.333 ± 0.001°
• γ: 90°
• Cell volume: 5178.7 ± 0.3 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: 0.1262
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No