Information card for entry 7030738

Structure parameters

• Formula: C12 H45 Co2 N3 Na2 O44.5 P W9
• Calculated formula: C12 H24 Co2 N3 Na0.5 O49.85 P W9
• Title of publication: Grafting ligands to direct the self-assembly of Co/Ni2+ substituted polyoxometalate clusters
• Authors of publication: Ritchie, Chris; Boyd, Thomas; Long, De-Liang; Ditzel, Evert; Cronin, Leroy
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1587 - 1592
• a: 12.46 ± 0.002 Å
• b: 13.112 ± 0.002 Å
• c: 17.209 ± 0.002 Å
• α: 80.46 ± 0.01°
• β: 80.38 ± 0.01°
• γ: 67.59 ± 0.01°
• Cell volume: 2546.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000580
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No