Information card for entry 4330523

Structure parameters

• Formula: C22 H17 Mo N2 O6 P
• Calculated formula: C22 H17 Mo N2 O6 P
• SMILES: C1(=[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])N(C(=CN1C)P(=O)(c1ccccc1)c1ccccc1)C
• Title of publication: Synthesis of Backbone P-Functionalized Imidazol-2-ylidene Complexes: En Route to Novel Functional Ionic Liquids
• Authors of publication: Paresh Kumar Majhi; Susanne Sauerbrey; Gregor Schnakenburg; Anthony J. Arduengo; Rainer Streubel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10408 - 10416
• a: 6.2891 ± 0.0002 Å
• b: 15.0951 ± 0.0005 Å
• c: 23.4063 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2222.07 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No