Information card for entry 1512619

Structure parameters

• Formula: C40 H34 Au2 Cl4 N2 O4 P2 S2
• Calculated formula: C40 H34 Au2 Cl4 N2 O4 P2 S2
• SMILES: [Au](Sc1ccc(N(=O)=O)cc1)[P](C=C[P]([Au]Sc1ccc(N(=O)=O)cc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• Title of publication: Photochemical reactivity of Two Gold(I) Dinuclear Complexes, Cis/Trans-(AupNBT)2dppee: Isomerization for Cis-(AupNBT)2dppee Isomer, Wavelength Dependent Radical Substitution for trans‒(AupNBT)2dppee.
• Authors of publication: Janet B. Foley; Angela Herring; Bo Li; Evgeny Dikarev
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 300 - 310
• a: 18.3627 ± 0.001 Å
• b: 14.175 ± 0.0008 Å
• c: 16.5005 ± 0.0009 Å
• α: 90°
• β: 102.505 ± 0.001°
• γ: 90°
• Cell volume: 4193 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No