Information card for entry 4115488

Structure parameters

• Formula: C50 H114 Mo8 N6 O28
• Calculated formula: C50 H114 Mo8 N6 O28
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.[NH3+]C1CCCCC1.N(C)(C=O)C.O1[Mo]234([O]567[Mo]89%10([O]2%11%12[Mo]2%13([O]%10[Mo]5([O]42)(O[Mo]6(O8)(O[Mo]27([O]3[Mo]%11([O]92)(O[Mo]1%12(O%13)(=O)=O)(=O)=O)(=O)=O)(=O)=O)(=O)=O)(=O)=O)=O)=O.C(CCC)[N+](CCCC)(CCCC)CCCC.[NH3+]C1CCCCC1.N(C)(C)C=O
• Title of publication: An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates
• Authors of publication: Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 4083 - 4084
• a: 13.3842 ± 0.0007 Å
• b: 17.2197 ± 0.0009 Å
• c: 16.3424 ± 0.0009 Å
• α: 90°
• β: 100.512 ± 0.001°
• γ: 90°
• Cell volume: 3703.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No