Information card for entry 7205601

Structure parameters

• Common name: work
• Formula: C38 H46 Ag2 F12 N10 P2
• Calculated formula: C38 H46 Ag2 F12 N10 P2
• SMILES: c1[n]2ccn1Cc1c(C)cc(c(c1C)Cn1c[n]([Ag][n]3cn(cc3)Cc3c(cc(c(c3C)Cn3c[n]([Ag]2)cc3)C)C)cc1)C.C(#N)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C
• Title of publication: Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation
• Authors of publication: Dobrzańska, Liliana
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2303
• a: 8.697 ± 0.0005 Å
• b: 9.7684 ± 0.0006 Å
• c: 13.5891 ± 0.0008 Å
• α: 98.38 ± 0.001°
• β: 101.463 ± 0.001°
• γ: 103.397 ± 0.001°
• Cell volume: 1078.16 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0291
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No