Information card for entry 4503199

Structure parameters

• Common name: Compound HA012
• Formula: C56 H52 Ag2 Mo8 N4 O26 P2
• Calculated formula: C56 H52 Ag2 Mo8 N4 O26 P2
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Ag]12([N]#CC)[O]=[Mo]3456[O]7[Mo]89(=[O]1)(O[Mo]1%10(O[Mo]%11%12([O]4[Mo]4%13%14(=[O][Ag]%15([N]#CC)[O]=[Mo]%16([O]%11%13)(O1)([O]8[Mo]17([O]5%14%16[Mo](O3)(O4)(=O)(O1)=[O]%15)(=O)=O)[O]69%10%12)=O)(=O)=O)(=[O]2)=O)=O.N#CC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
• Title of publication: Molecular Growth of Polyoxometalate Architectures Based on [−Ag{Mo8}Ag−] Synthons: Toward Designed Cluster Assemblies
• Authors of publication: Abbas, Hamera; Streb, Carsten; Pickering, Alexandra L.; Neil, Andrew R.; Long, De-Liang; Cronin, Leroy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 635
• a: 9.721 ± 0.0003 Å
• b: 11.7984 ± 0.0005 Å
• c: 16.0976 ± 0.0007 Å
• α: 85.561 ± 0.002°
• β: 75.929 ± 0.002°
• γ: 68.078 ± 0.002°
• Cell volume: 1661.2 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.075
• 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: No
• Has Fobs: No