Information card for entry 4318348

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: 12.952 ± 0.002 Å
• b: 15.706 ± 0.002 Å
• c: 17.948 ± 0.003 Å
• α: 90°
• β: 98.78 ± 0.01°
• γ: 90°
• Cell volume: 3608.3 ± 0.9 ų
• Cell temperature: 20 ± 1 K
• Ambient diffraction temperature: 20 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 significantly intense reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 1.22
• Diffraction radiation probe: neutron
• Diffraction radiation type: pulsedneutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No