Information card for entry 7219280

Structure parameters

• Formula: C36 H40 Ag2 N6 O6 S4
• Calculated formula: C36 H40 Ag2 N6 O6 S4
• SMILES: [S]1([Ag]2([N](=Cc3c(cccc3)SC)CC[N]2=Cc2ccccc2[S]([Ag]2([N](=Cc3c(cccc3)SC)CC[N]2=Cc2c1cccc2)ON(=O)=O)C)ON(=O)=O)C
• Title of publication: Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity
• Authors of publication: Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1856
• a: 7.7301 ± 0.0006 Å
• b: 9.3388 ± 0.0005 Å
• c: 14.2614 ± 0.0008 Å
• α: 102.835 ± 0.005°
• β: 102.369 ± 0.006°
• γ: 95.408 ± 0.006°
• Cell volume: 969.57 ± 0.11 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.035
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No