Information card for entry 4312960

Structure parameters

• Formula: C28.5 H59 B2 Co2 N10 O14
• Calculated formula: C28.5 H57.5 B2 Co2 N10 O14
• Title of publication: A Guest-Induced Assembly of a Molecular Box from Methylcobaloxime and 1,4-Phenylenebisboronic Acid
• Authors of publication: Renata Dreos; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 612 - 617
• a: 12.986 ± 0.002 Å
• b: 9.963 ± 0.002 Å
• c: 33.28 ± 0.004 Å
• α: 90°
• β: 91.13 ± 0.03°
• γ: 90°
• Cell volume: 4304.9 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No