Information card for entry 4080849

Structure parameters

• Common name: 1683 [Mo(PNPMe-iPr)(CO)3] (2d)
• Chemical name: [Mo(PNPMe-iPr)(CO)3] (2d)
• Formula: C22 H37 Mo N3 O3 P2
• Calculated formula: C22 H37 Mo N3 O3 P2
• Title of publication: Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.
• Authors of publication: Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 3042 - 3052
• a: 18.6552 ± 0.0005 Å
• b: 12.1772 ± 0.0003 Å
• c: 10.9035 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2476.93 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No