Information card for entry 4311167

Structure parameters

• Formula: B12 H14 O12
• Calculated formula: B12 H14 O12
• SMILES: [B]1234([B]567(O)[B]89%10([B]%11%12%13([B]%14%15%16([B]%171([B]1%183([B]258([B]%10%13%18([B]%12%15%171O)O)O)O)([B]47%16([B]69%11%14O)O)O)O)[OH2])O)[OH2]
• Title of publication: An Addition to the Oxoacid Family: H2B12(OH)12
• Authors of publication: Stasko, Daniel J.; Perzynski, Kevin J.; Wasil, Mark A.; Brodbeck, Julia K.; Kirschbaum, Kristin; Kim, Yong Wah; Lind, Cora
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 3786 - 3788
• a: 8.237 ± 0.0005 Å
• b: 8.293 ± 0.0005 Å
• c: 8.3553 ± 0.0004 Å
• α: 90°
• β: 90.143 ± 0.002°
• γ: 90°
• Cell volume: 570.74 ± 0.06 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.4959 Å
• Diffraction radiation type: synchroton
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No