Information card for entry 7224055

Structure parameters

• Formula: C30 H78 Ir2 K4 Nb6 O33
• Calculated formula: C30 H54 Ir2 K4 Nb6 O33
• SMILES: C[c]12[c]3([c]4([c]5(C)[c]1(C)[Ir]162345[O]2[Nb]345([O]1[Nb]178([O]6[Nb]692([O]2%1037[Nb]3([O]7[Ir]%11%12%13%14%15([c]%16(C)[c]%11([c]%12([c]%13(C)[c]%14%16C)C)C)[O]3[Nb]2(O4)([O]%15[Nb]%107(O1)(O5)=O)(O6)=O)(=O)(O8)O9)=O)=O)=O)C)C.[K+].[K+].OC.CO.CO.CO.CO.O.O.[K+].[K+].OC.CO.CO.CO.CO.O.O
• Title of publication: Unique solubility of polyoxoniobate salts in methanol: coordination to cations and POM methylation
• Authors of publication: Abramov, Pavel A.; Vicent, Cristian; Kompankov, Nikolay B.; Laricheva, Yuliya A.; Sokolov, Maksim Nailyevich
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.776 ± 0.0006 Å
• b: 11.8756 ± 0.0007 Å
• c: 14.1839 ± 0.0009 Å
• α: 113.102 ± 0.003°
• β: 92.519 ± 0.003°
• γ: 111.051 ± 0.002°
• Cell volume: 1521.58 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No