Information card for entry 4115896

Structure parameters

• Formula: C74 H135 Cl6 Mo6 N5 O16
• Calculated formula: C67 Cl3 Mo6 N4.5 O16
• SMILES: [Mo]1234(O[Mo]567(O[Mo]89(O1)(O[Mo]1%10(O7)(O[Mo]7(O4)(O8)(O[Mo](O5)(O3)(O1)(=O)[O]269%107)=O)=O)=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C.[N+](CCCC)(CCCC)(CCCC)CCCC.ClCCCl.ClCCCl
• Title of publication: A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-
• Authors of publication: Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 639 - 649
• a: 19.573 ± 0.004 Å
• b: 21.725 ± 0.005 Å
• c: 23.668 ± 0.006 Å
• α: 92.03 ± 0.03°
• β: 101.77 ± 0.03°
• γ: 98.51 ± 0.02°
• Cell volume: 9722 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 220 ± 2 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: 0.136
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No