Information card for entry 7000577

Structure parameters

• Formula: C24 H81 Co3 N6 Na2 O56 P W10
• Calculated formula: C24 H32 Co3 N6 Na O58.5 P W10
• SMILES: [W]1234(O[W]567([O]89[W]%10%11(O[W]%129(O[W]9%13(O1)([O]13=P38[O]8%14[W]%15(O[W]%16%17%14([O]%14[Co]8([O]=%10)([O]=[W]8%10(O%11)(=O)[O]%113[W](O%10)(=[O][Co]3%11([O]=[W]1(O4)(O9)(=O)O%16)([O]=%17)[O]8CC[N]13CCN(CC1)CCO)(=O)(O%13)O%12)([O]=%15)[N]1(CCN(CC1)CCO)CC%14)=O)(=O)(O6)O2)=O)(=O)O7)(O5)=O)=O)=O.[Co]1([OH2])([OH2])([OH2])([OH2])[OH]CC[N]12CCN(CC2)CCO.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O
• 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: 19.8809 ± 0.0006 Å
• b: 15.1911 ± 0.0004 Å
• c: 25.0011 ± 0.0007 Å
• α: 90°
• β: 106.846 ± 0.002°
• γ: 90°
• Cell volume: 7226.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No