Information card for entry 7212741

Structure parameters

• Formula: C16 H10 Au N6 Na S6
• Calculated formula: C16 H10 Au N6 Na S6
• SMILES: c1c2S[Au]3(Sc4cc5c(cc4S3)nsn5)Sc2cc2c1nsn2.[Na]([N]#CC)[N]#CC
• 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: 12.9803 ± 0.0014 Å
• b: 10.1794 ± 0.0011 Å
• c: 8.4481 ± 0.0009 Å
• α: 90°
• β: 102.981 ± 0.002°
• γ: 90°
• Cell volume: 1087.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No