Information card for entry 7235846

Structure parameters

• Formula: C48 H110 Co5 Mo12 N8 Na2 O87 P8
• Calculated formula: C48 H110 Co5 Mo12 N8 Na2 O87 P8
• SMILES: [Mo]12345([Mo]678([O]1[Co]19%10([O]%11[Mo]%12%13%14%15([Mo]%11([OH]3)([O]4P3([O]6[Mo]46([Mo](OP(O%14)(=O)O)([O]%123)([O]%104)(=O)([OH]%15)O6)(=O)([OH]7)OP(O[Co]3([n]4cc(ccc4c4ccc(c[n]34)C)C)([OH2])([OH2])[OH2])(=O)O8)=O)(OP(O5)(=O)O[Co]3([n]4cc(ccc4c4ccc(c[n]34)C)C)([OH2])([OH2])[OH2])(O%13)=O)=O)[O]3[Mo]4567([Mo]8%103(=O)([OH][Mo]3%11%12([Mo]%13%14([O]93)([OH][Mo]39%15([Mo]([OH]5)(OP(O6)(O[Co]5([n]6cc(ccc6c6ccc(c[n]56)C)C)([OH2])([OH2])[OH2])=O)([O]13)([O]7P([O]%13%15)([O]%10%11)=O)(=O)O9)(=O)OP(=O)(O[Co]1([n]3cc(ccc3c3ccc(c[n]13)C)C)([OH2])([OH2])[OH2])O%14)(O%12)=O)(=O)OP(O8)(=O)O)O4)=O)(=O)O2)=O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Highly reduced molybdophosphate as a noble-metal-free catalyst for the reduction of chromium using formic acid as a reducing agent
• Authors of publication: Gong, Kaining; Wang, Weijie; Yan, Jinshuang; Han, Zhangang
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 6019
• a: 14.2222 ± 0.0008 Å
• b: 15.0491 ± 0.0014 Å
• c: 16.4125 ± 0.0008 Å
• α: 105.92 ± 0.001°
• β: 110.021 ± 0.001°
• γ: 101.537 ± 0.001°
• Cell volume: 3001.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0265
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No