Information card for entry 7023804

Structure parameters

• Formula: C24 H32 Au N O6 S10
• Calculated formula: C24 H32 Au N O6 S10
• SMILES: [Au]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[NH3+]c1ccccc1.O1CCOCCOCCOCCOCCOCC1
• Title of publication: The effect of doping a molecular spin ladder with non-magnetic impurities.
• Authors of publication: Nishihara, Sadafumi; Zhang, Xiao; Kunishio, Kazuhisa; Inoue, Katsuya; Ren, Xiao-Ming; Akutagawa, Tomoyuki; Kishine, Jun-Ichiro; Fujisawa, Masashi; Asakura, Atsushi; Okubo, Susumu; Ohta, Hitoshi; Nakamura, Takayoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 43
• Pages of publication: 15263 - 15266
• a: 8.1271 ± 0.0005 Å
• b: 14.1157 ± 0.0009 Å
• c: 16.6699 ± 0.001 Å
• α: 112.622 ± 0.0016°
• β: 95.9764 ± 0.0016°
• γ: 94.3523 ± 0.0017°
• Cell volume: 1741.58 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No