Information card for entry 7114155

Structure parameters

• Common name: [(bbttp)Ag]2 CH3CN (PF6)2
• Chemical name: Di[1,5-bis(benzothiazolyl)-3-thiapentane silver(I)] acetonitrile dihexafluorphosphate
• Formula: C39 H35 Ag2 Cl2 F12 N5 P2 S6
• Calculated formula: C39 H35 Ag2 Cl2 F12 N5 P2 S6
• Title of publication: 1,5-Bis(benzothiazolyl)-3-thiapentane and its asymmetric dinuclear Ag(i) complex with three distinct intermolecular-stacking interactionsElectronic supplementary information (ESI) available: 3D rotatable structures of 2 and 3. See http://www.rsc.org/suppdata/cc/b2/b204843d/
• Authors of publication: Grapperhaus, Craig A.; Li, Ming; Mashuta, Mark S.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 1792
• a: 13.408 ± 0.001 Å
• b: 16.54 ± 0.002 Å
• c: 13.188 ± 0.001 Å
• α: 77.625 ± 0.002°
• β: 117.474 ± 0.002°
• γ: 112.922 ± 0.002°
• Cell volume: 2387.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No