Information card for entry 7116220

Structure parameters

• Formula: C36 H180 Cu9 N36 Nb24 O97 Sb4 Si2
• Calculated formula: C36 H144 Cu9 N36 Nb24 O93 Sb4 Si2
• Title of publication: Antimony-dependent expansion for the Keggin heteropolyniobate family.
• Authors of publication: Zhang, Zhe-Yu; Peng, Jun; Shi, Zhen-Yu; Zhou, Wan-Li; Khan, Shifa Ullah; Liu, Hong-Sheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 15
• Pages of publication: 3091 - 3093
• a: 14.745 ± 0.0005 Å
• b: 40.053 ± 0.0014 Å
• c: 19.158 ± 0.0007 Å
• α: 90°
• β: 94.812 ± 0.001°
• γ: 90°
• Cell volume: 11274.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No