Information card for entry 7024281

Structure parameters

• Common name: diaceto(tris(4- pyridylmethylamino)cyclotriguaiacylene)cadmium(ii) 1,2- dicarbadodecaborane(12) hydrate
• Chemical name: diaceto{tris(4-pyridylmethylamino)cyclotriguaiacylene}cadmium(II) 1,2-dicarbadodecaborane(12) hydrate
• Formula: C48 H64 B10 Cd N6 O9
• Calculated formula: C48 H60 B10 Cd N6 O9
• Title of publication: Host-guest influence on metallo-supramolecular assemblies with a cyclotriveratrylene-type ligand.
• Authors of publication: Carruthers, Christopher; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 355 - 357
• a: 19.6188 ± 0.0018 Å
• b: 14.3436 ± 0.0012 Å
• c: 22.743 ± 0.002 Å
• α: 90°
• β: 113.048 ± 0.005°
• γ: 90°
• Cell volume: 5889.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.17
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.2898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No