Information card for entry 4337044

Structure parameters

• Formula: C60 H83 Au3 N2 O14 P4 S2
• Calculated formula: C60 H58 Au3 N2 O14 P4 S2
• SMILES: [Au]1([Au]2([Au](SC([C@@H](N)C(=O)[O-])(C)C)[P](C[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)SC([C@@H](N)C(=O)[O-])(C)C.O.O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis, Structures, and Luminescence Properties of Interconvertible AuI2ZnII and AuI3ZnII Complexes with Mixed Bis(diphenylphosphino)methane and d-Penicillaminate
• Authors of publication: Yuji Hashimoto; Nobuto Yoshinari; Daisuke Naruse; Koichi Nozaki; Takumi Konno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14368 - 14375
• a: 13.0361 ± 0.0007 Å
• b: 15.7152 ± 0.0009 Å
• c: 18.9419 ± 0.0011 Å
• α: 66.11 ± 0.001°
• β: 75.938 ± 0.001°
• γ: 85.651 ± 0.002°
• Cell volume: 3440.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2146
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No