Information card for entry 4304690

Structure parameters

• Formula: B24 Cr H25 Na5 O52.5
• Calculated formula: B24 Cr H12 Na5 O52.5
• SMILES: [Cr]12345[O]6[B]78OB(O[B]9%10[O]7[B]([O]2[B]27[O]%11[B]%12([O]4[B]4%13[O]%14[B]6(OB(O[B]%14([O]1[B]16[O]%14[B](OB(O[B]%14([O]3[B]%11(OB(O%12)O)OB(O2)O)OB(O1)O)O)([O]59)OB(O6)O)OB(O%13)O)O)OB(O4)O)OB(O7)O)(OB(O%10)O)OB(O8)O)O.[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O
• Title of publication: Na5[MB24O34(OH)12].nH2O (M = Cr3+, Al3+): Unprecedented Spherelike Polyborate Clusters from Boric Acid Flux Synthesis
• Authors of publication: Tao Yang; Junliang Sun; Lars Eriksson; Guobao Li; Xiaodong Zou; Fuhui Liao; Jianhua Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3228 - 3233
• a: 17.4549 ± 0.0003 Å
• b: 11.1976 ± 0.0002 Å
• c: 21.2403 ± 0.0003 Å
• α: 90°
• β: 94.644 ± 0.002°
• γ: 90°
• Cell volume: 4137.85 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No