Information card for entry 7104184

Structure parameters

• Formula: C82 H81 N13 Na2 O58 Sb12
• Calculated formula: C83 H47 N13 Na2 O58 Sb12
• SMILES: [Sb]12(O)(O[Sb]345(O[Sb]6(O)(O)(O[Sb]789(O[Sb]%10%11%12([O]6[Sb]6%13([O]%143[Sb]3(O5)(O6)([O]5[Na]([O]%10%13)([OH2])([O]6[Sb]%10%13%15([O]%16%17[Na]%14([O]7%12[Sb]6(O%11)([O]%10[Sb](O[Sb]%16(O2)(O%13)(O[Sb]5%17([O]13)(O%15)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O)(O)(O)(O8)c1ccc(cc1)N(=O)=O)(O9)c1ccc(cc1)N(=O)=O)[OH2])c1ccc(cc1)N(=O)=O)[OH2])c1ccc(cc1)N(=O)=O)(O4)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O)(c1ccc(cc1)N(=O)=O)O.[N+](C)(C)(C)Cc1ccccc1.O
• Title of publication: Arylstibonic acids [H8(RSb)12O28]; precursors to organometallic isopolyoxostibonates [Na2H9(RSb)12O(30)]-, (R = aryl).
• Authors of publication: Clark, Christopher J; Nicholson, Brian K; Wright, Cody E
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 923 - 925
• a: 30.6262 ± 0.0006 Å
• b: 22.5295 ± 0.0004 Å
• c: 25.1789 ± 0.0008 Å
• α: 90°
• β: 122.569 ± 0.001°
• γ: 90°
• Cell volume: 14641.2 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No