Information card for entry 7105743

Structure parameters

• Common name: di(tris(3,5-bis(methyl)benzoate)cyclotricatechylene)- tetraacetobis(dimethylformamide)oxoheptacobalt(ii) dimethylformamide clathrate hydrate
• Chemical name: di{tris[3,5-bis(methyl)benzoate]cyclotricatechylene}- tetraacetobis(dimethylformamide)oxoheptacobalt(ii) dimethylformamide clathrate hydrate
• Formula: C113 H103 Co7 N3 O38
• Calculated formula: C113 H99 Co7 N3 O39
• Title of publication: Bow-tie metallo-cryptophanes from a carboxylate derived cavitand
• Authors of publication: Tanya Ronson; Harriott Nowell; Aleema Westcott; Michaele Hardie
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 176
• a: 18.811 ± 0.003 Å
• b: 12.258 ± 0.0015 Å
• c: 29.62 ± 0.004 Å
• α: 90°
• β: 99.087 ± 0.007°
• γ: 90°
• Cell volume: 6744.2 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1092
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No