Information card for entry 7017170

Structure parameters

• Common name: diaquo(dimethylacetamide)trisnitroso ((±)-2,7,12-trimethoxy- 3,8,13-tris(4-(4-pyridyl)benzoyl)-10,15-dihydro-5H- tribenzo(a,d,g)cyclononane)cadmium(ii) nitrate dimethylacetamide clathrate
• Chemical name: diaquo(dimethylacetamide)trisnitroso [(±)-2,7,12-trimethoxy-3,8,13-tris[4- (4-pyridyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]cadmium(II) nitrate dimethylacetamide clathrate
• Formula: C84 H103 Cd2 N13 O29
• Calculated formula: C72 H72 Cd2 N9 O23
• 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: 15.8154 ± 0.0017 Å
• b: 17.6539 ± 0.0019 Å
• c: 23.97 ± 0.003 Å
• α: 71.274 ± 0.004°
• β: 85.877 ± 0.004°
• γ: 66.204 ± 0.004°
• Cell volume: 5786.6 ± 1.2 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: 0.1339
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2868
• Weighted residual factors for all reflections included in the refinement: 0.3126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No