Information card for entry 4300747

Structure parameters

• Common name: 4-Carboxylato-phenylboronic acid nickel(II) hexahydrate
• Formula: C14 H32 B2 Ni O18
• Calculated formula: C14 H32 B2 Ni O18
• SMILES: B(c1ccc(C(=O)[O-])cc1)(O)O.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[OH2].O.B(c1ccc(cc1)C(=O)[O-])(O)O.O.O
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 6.781 ± 0.002 Å
• b: 9.572 ± 0.003 Å
• c: 9.824 ± 0.003 Å
• α: 97.89 ± 0.04°
• β: 92.05 ± 0.05°
• γ: 108.55 ± 0.04°
• Cell volume: 596.7 ± 0.3 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