Information card for entry 4080847

Structure parameters

• Common name: 1648 [W(PNP-Ph)(CO)3Br]Br.CH3OH (3a.CH3OH)
• Chemical name: [W(PNP-Ph)(CO)3Br]Br.CH3OH (3a.CH3OH)
• Formula: C33 H29 Br2 N3 O4 P2 W
• Calculated formula: C32 H25 Br2 N3 O3 P2 W
• 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: 10.1741 ± 0.0006 Å
• b: 13.158 ± 0.0007 Å
• c: 14.104 ± 0.0008 Å
• α: 99.456 ± 0.003°
• β: 95.412 ± 0.003°
• γ: 104.306 ± 0.003°
• Cell volume: 1786.64 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No