Information card for entry 7717066

Structure parameters

• Formula: C12 H36 Mo6 Ni O25 S6
• Calculated formula: C12 H36 Mo6 Ni O25 S6
• Title of publication: Polyoxometalate-supported Transition Metal Complexes for Oxidative Cross-Coupling of Amines and Alcohols
• Authors of publication: Pardiwala, Ankita; Desai, Meghal A.; Jangir, Ritambhara
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.6498 ± 0.0001 Å
• b: 9.2159 ± 0.0003 Å
• c: 12.214 ± 0.0004 Å
• α: 94.803 ± 0.002°
• β: 93.302 ± 0.002°
• γ: 91.519 ± 0.002°
• Cell volume: 968.14 ± 0.05 ų
• Cell temperature: 299.1 K
• Ambient diffraction temperature: 299.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No