Information card for entry 4312961

Structure parameters

• Formula: C15 H31 B2 Co N4 O11
• Calculated formula: C15 H31 B2 Co N4 O11
• SMILES: CC1C(C)=N(=O)[Co]23(C)([N]=1O[B](c1ccc(cc1)B(O)O)(O[N]2=C(C(C)=[N]3O)C)O)[OH2].O.O.O
• 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: 8.853 ± 0.003 Å
• b: 11.865 ± 0.004 Å
• c: 12.866 ± 0.004 Å
• α: 106.24 ± 0.02°
• β: 111.199 ± 0.015°
• γ: 97.834 ± 0.018°
• Cell volume: 1166.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No