Information card for entry 7006960

Structure parameters

• Formula: C54 H194 Cs N9 Na2 O166 W36
• Calculated formula: C39.02 Cs N6.86 Na1.6 O162.5 W36
• Title of publication: Inorganic crown: the host-guest chemistry of a high nuclearity 'Celtic-ring' isopolyoxotungstate [H12W36O120]12-.
• Authors of publication: Long, De-Liang; Brücher, Oliver; Streb, Carsten; Cronin, Leroy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 23
• Pages of publication: 2852 - 2860
• a: 26.8369 ± 0.001 Å
• b: 34.8568 ± 0.0013 Å
• c: 21.0337 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19675.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No