Information card for entry 7017168

Structure parameters

• Common name: ((±)-2,7,12-trimethoxy-3,8,13-tris(3-(4-pyridyl)benzoyl)- 10,15-dihydro-5H-tribenzo(a,d,g)cyclononane) chloroform clathrate
• Chemical name: [(±)-2,7,12-trimethoxy-3,8,13-tris[3- (4-pyridyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane] chloroform clathrate
• Formula: C61.5 H46.5 Cl4.5 N3 O9
• Calculated formula: C61.5 H46.5 Cl4.5 N3 O9
• 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: 12.4628 ± 0.0011 Å
• b: 14.9274 ± 0.0014 Å
• c: 15.6631 ± 0.0016 Å
• α: 88.51 ± 0.006°
• β: 73.191 ± 0.006°
• γ: 84.999 ± 0.006°
• Cell volume: 2778.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2739
• Residual factor for significantly intense reflections: 0.1252
• Weighted residual factors for significantly intense reflections: 0.3095
• Weighted residual factors for all reflections included in the refinement: 0.4363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No