Information card for entry 7243641

Structure parameters

• Formula: C8 H41 Cu2 Mo7 N7 O31.5 V
• Calculated formula: C8 H41 Cu2 Mo7 N7 O31.5 V
• Title of publication: Hybrid compound based on diethylenetriaminecopper(ii) cations and scarce V-monosubstituted β-octamolybdate as water oxidation catalyst
• Authors of publication: Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Iryna V.; Shishkina, Svitlana V.; Bieńko, Alina; Pavliuk, Mariia V.; Shylin, Sergii I.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 51
• Pages of publication: 32119 - 32125
• a: 9.8374 ± 0.0005 Å
• b: 13.8773 ± 0.0007 Å
• c: 14.1652 ± 0.0008 Å
• α: 90°
• β: 93.26 ± 0.005°
• γ: 90°
• Cell volume: 1930.65 ± 0.18 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No