Information card for entry 7212739

Structure parameters

• Formula: C16 H20 Au N4 Na O4 S6
• Calculated formula: C16 H20 Au N4 Na O4 S6
• SMILES: [Na]([OH]C)([OH]C)([OH]C)([OH]C)[n](sn1)c2cc3c(cc12)S[Au]1(S3)Sc2c(S1)cc1c(c2)ns[n]1[Na]([OH]C)([OH]C)([OH]C)([OH]C)[n](sn1)c2cc3c(cc12)S[Au]1(S3)Sc2c(S1)cc1c(c2)nsn1
• 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: 7.4087 ± 0.0005 Å
• b: 9.1583 ± 0.0006 Å
• c: 10.1717 ± 0.0007 Å
• α: 63.777 ± 0.001°
• β: 76.735 ± 0.001°
• γ: 86.033 ± 0.001°
• Cell volume: 602.2 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0155
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No