Information card for entry 7017171

Structure parameters

• Common name: aquotriflouroaceto((±)-2,7,12-trimethoxy-3,8,13-tris(4-(4- pyridyl)benzoyl)-10,15-dihydro-5H-tribenzo(a,d,g) cyclononane)zinc(ii) trifluoroacetate N-methylpyrrolidone clathrate
• Chemical name: aquotriflouroaceto[(±)-2,7,12-trimethoxy-3,8,13-tris[4- (4-pyridyl)benzoyl]-10,15-dihydro-5H-tribenzo[a,d,g] cyclononane]zinc(II) trifluoroacetate N-methylpyrrolidone clathrate
• Formula: C318 H310 F12 N26 O60 Zn2
• Calculated formula: C264 H216 F6 N16 O46 Zn2
• Title of publication: New coordination polymers with extended arm cyclotriguaiacyclene ligands: 1D chains, and interpenetrating or polycatenating 2D (4(2).6(2))(4.6(2))(2) networks.
• Authors of publication: Little, Marc A.; Ronson, Tanya K.; Hardie, Michaele J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12217 - 12227
• a: 24.869 ± 0.003 Å
• b: 25.357 ± 0.003 Å
• c: 31.526 ± 0.004 Å
• α: 80.258 ± 0.006°
• β: 80.218 ± 0.006°
• γ: 67.429 ± 0.006°
• Cell volume: 17972 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.205
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.2958
• Weighted residual factors for all reflections included in the refinement: 0.333
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No