Information card for entry 7705610

Structure parameters

• Formula: C50 H64 Au2 Br2 O2 P2
• Calculated formula: C50 H64 Au2 Br2 O2 P2
• SMILES: [Au](Br)[P](c1c(C(C)C)cccc1)(c1c([P]([Au]Br)(c2ccccc2C(C)C)c2c(C(C)C)cccc2)cccc1)c1c(cccc1)C(C)C.O1CCCC1.O1CCCC1
• Title of publication: Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from ³XMMCT/³MC.
• Authors of publication: Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15204 - 15212
• a: 14.0829 ± 0.0007 Å
• b: 16.7889 ± 0.0007 Å
• c: 20.2432 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4786.2 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No