Information card for entry 2221160

Structure parameters

• Common name: [Ba(diaza-18-crown-6)(H~2~0)][Ba(diaza-18-crown-6)(H~2~0)~2~] [Au(CN)~2~]~4~
• Chemical name: poly[triaquatetra-μ-cyanido-tetracyanidobis(1,4,10,13-tetraoxa-7,16- diazacyclooctadecane)dibarium(II)tetragold(I)]
• Formula: C32 H58 Au4 Ba2 N12 O11
• Calculated formula: C32 H58 Au4 Ba2 N12 O11
• SMILES: [Ba]12345([O]6CC[NH]4CC[O]1CC[O]2CC[NH]5CC[O]3CC6)([OH2])([N]#C[Au]C#N)[N]#C[Au]C#[N][Ba]12345([N]#C[Au]C#[N])([O]6CC[O]1CC[NH]4CC[O]2CC[O]3CC[NH]5CC6)([OH2])[OH2].[Au](C#N)C#N
• Title of publication: Monomers, dimers, and trimers of [Au(CN)~2~]^{-^} in a Ba(diaza-18-crown-6)^2+^ coordination polymer
• Authors of publication: Beavers, Christine M.; Paw U, Latisha; Olmstead, Marilyn M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m300 - m301
• a: 11.0962 ± 0.0003 Å
• b: 15.9223 ± 0.0005 Å
• c: 16.548 ± 0.0005 Å
• α: 64.142 ± 0.002°
• β: 70.523 ± 0.002°
• γ: 79.027 ± 0.003°
• Cell volume: 2476.9 ± 0.14 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes