Information card for entry 2213326

Structure parameters

• Chemical name: Chloridobis[1,2-bis(diphenylphosphino)ethane](ethylimido)molybdenum(IV) tetraphenylborate acetonitrile disolvate
• Formula: C82 H79 B Cl Mo N3 P4
• Calculated formula: C82 H79 B Cl Mo N3 P4
• Title of publication: Chloridobis[1,2-bis(diphenylphosphino)ethane](ethylimido)molybdenum(IV) tetraphenylborate acetonitrile disolvate
• Authors of publication: Mersmann, Klaus; Näther, Christian; Tuczek, Felix
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1476 - m1476
• a: 15.3299 ± 0.0012 Å
• b: 21.584 ± 0.0011 Å
• c: 21.3439 ± 0.0016 Å
• α: 90°
• β: 96.387 ± 0.009°
• γ: 90°
• Cell volume: 7018.4 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes