Information card for entry 2213589

Structure parameters

• Chemical name: bis(triphenylphosphoranylidene)imminium di-μ-bromido-dibromidocuprate
• Formula: C72 H60 Br4 Cu2 N2 P4
• Calculated formula: C72 H60 Br4 Cu2 N2 P4
• SMILES: c1(ccccc1)P(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.Br[Cu]12[Br][Cu]2([Br]1)Br.c1(ccccc1)P(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Thermal disorder in the anion of bis(triphenylphosphoranylidene)iminium di-μ-bromido-bis[bromidocuprate(I)]
• Authors of publication: Yakovenko, Andrey A.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1233 - m1234
• a: 19.718 ± 0.005 Å
• b: 15.994 ± 0.004 Å
• c: 20.097 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6338 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes