Information card for entry 8101745

Structure parameters

• Chemical name: cyclo-bis{[(15-crown-5)sodium][1,2-dicyanoethene-1,2-dithiolato-aurate(I)]} 1,2-dichloroethane solvate
• Formula: C46 H44 Au2 Cl2 N8 Na2 O10 S8
• Calculated formula: C46 H44 Au2 Cl2 N8 Na2 O10 S8
• SMILES: [Au]123SC(=C(S1)C#[N][Na]1456([O]7c8ccccc8[O]1CC[O]4CC[O]5CC[O]6CC7)[N]#CC1=C(S[Au]4(S1)SC(=C(S4)C#N)C#[N][Na]1456([N]#CC(=C(S2)C#N)S3)[O]2c3ccccc3[O]1CC[O]4CC[O]5CC[O]6CC2)C#N)C#N.ClCCCl
• Title of publication: Crystal structure of cyclo-bis{[(benzo-15-crown-5)-sodium] [1,2-dicyanoethene- 1,2-dithiolato-aurate(I)]} 1,2-dichloroethane solvate, {[Na(C~14~H~20~O~5~)] [Au(C~4~N~2~S~2~)~2~]}~2~ · C~2~H~4~Cl~2~
• Authors of publication: Song, X.-M.; Li, D.-C.; Wei, J.-F.; Dou, J.-M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 231 - 233
• a: 7.612 ± 0.004 Å
• b: 12.857 ± 0.006 Å
• c: 16.753 ± 0.008 Å
• α: 111.856 ± 0.006°
• β: 100.449 ± 0.006°
• γ: 92.35 ± 0.007°
• Cell volume: 1485.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No