Information card for entry 7209190

Structure parameters

• Formula: C8 H12 Ag Cl N4 O4
• Calculated formula: C8 H12 Ag Cl N4 O4
• SMILES: [Ag]([N]#CC)([N]#CC)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-]
• Title of publication: True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts
• Authors of publication: Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1125
• a: 24.244 ± 0.001 Å
• b: 8.5678 ± 0.0005 Å
• c: 20.654 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4290.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No