Information card for entry 7212738

Structure parameters

• Formula: C12 H4 Au N4 Na O4 S6
• Calculated formula: C12 H4 Au N4 Na O4 S6
• SMILES: [Au]12(Sc3cc4c(cc3S2)nsn4)Sc2c(S1)cc1c(c2)nsn1.[Na+].O.O.O.O
• Title of publication: Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex
• Authors of publication: Bolligarla, Ramababu; Das, Samar K.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3409
• a: 13.3285 ± 0.002 Å
• b: 18.0188 ± 0.0012 Å
• c: 17.3305 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4162.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No