Information card for entry 4318344

Structure parameters

• Formula: C64 H92 Mo4 N2 O16 P4
• Calculated formula: C64 H92 Mo4 N2 O16 P4
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.c1ccccc1[P]12O[Mo]345O[P](c6ccccc6)(O[Mo]65(O[P](c5ccccc5)(O3)[Mo](C#[O])(C#[O])(C#[O])(C#[O])[P](O6)(O4)c3ccccc3)O1)[Mo]2(C#[O])(C#[O])(C#[O])C#[O].[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: How to Make a Major Shift in a Redox Potential: Ligand Control of the Oxidation State of Dimolybdenum Units
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Chun Y. Liu; Carlos A. Murillo; Arthur J. Schultz; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4232 - 4238
• a: 12.953 ± 0.0008 Å
• b: 15.7847 ± 0.001 Å
• c: 18.0865 ± 0.0011 Å
• α: 90°
• β: 98.782 ± 0.001°
• γ: 90°
• Cell volume: 3654.6 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for all reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.0577
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No