Information card for entry 4300745

Structure parameters

• Common name: 4-Carboxylato-phenylboronic acid cobalt(II) hexahydrate
• Formula: C14 H32 B2 Co O18
• Calculated formula: C14 H32 B2 Co O18
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[O-]C(=O)c1ccc(B(O)O)cc1.O.O.B(c1ccc(cc1)C(=O)[O-])(O)O.O.O
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 6.776 ± 0.003 Å
• b: 9.592 ± 0.004 Å
• c: 9.786 ± 0.005 Å
• α: 98.19 ± 0.07°
• β: 91.66 ± 0.08°
• γ: 108.35 ± 0.07°
• Cell volume: 595.7 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No