Information card for entry 7031939

Structure parameters

• Common name: 8-1703 [Mo(PNP^Me^-iPr)(CO)(THF)Cl]SbF6
• Chemical name: 8-1703 [Mo(PNP^Me^-iPr)(CO)(THF)Cl]SbF6, Chloro-carbonyl-tetrahydrofuran-[N,N'-bis(diisopropylphosphino)-N,N'- dimethyl-2,6-diaminopyridine-κP,N^1^,P']-molybdenum(iv) hexafluoroantimonate.
• Formula: C24 H45 Cl F6 Mo N3 O2 P2 Sb
• Calculated formula: C24 H45 Cl F6 Mo N3 O2 P2 Sb
• SMILES: [Mo]12(Cl)([P](N(c3[n]2c(N([P]1(C(C)C)C(C)C)C)ccc3)C)(C(C)C)C(C)C)([O]1CCCC1)C#[O].[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and reactivity of coordinatively unsaturated halocarbonyl molybdenum PNP pincer complexes.
• Authors of publication: de Aguiar, Sara R. M. M.; Oztopcu, Ozgür; Stöger, Berthold; Mereiter, Kurt; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14669 - 14679
• a: 11.4932 ± 0.0004 Å
• b: 9.6174 ± 0.0003 Å
• c: 29.2482 ± 0.001 Å
• α: 90°
• β: 92.387 ± 0.002°
• γ: 90°
• Cell volume: 3230.14 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No