Information card for entry 7116212

Structure parameters

• Common name: tetramethylammonium dodecaniobophosphate
• Formula: C40 H52 N10 Nb12 O70 P
• Calculated formula: C40 H52 N10 Nb12 O70.46 P
• Title of publication: Reversible capping/uncapping of phosphorous-centered Keggin-type polyoxoniobate clusters.
• Authors of publication: Son, Jung-Ho; Casey, William H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1436 - 1438
• a: 13.479 ± 0.002 Å
• b: 13.786 ± 0.002 Å
• c: 16.904 ± 0.002 Å
• α: 70.1318 ± 0.0018°
• β: 69.2539 ± 0.0018°
• γ: 74.0995 ± 0.0018°
• Cell volume: 2720.2 ± 0.7 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 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: 0.107
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.244
• Weighted residual factors for all reflections included in the refinement: 0.2525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No