Information card for entry 7230575

Structure parameters

• Formula: C20 H24 Br Mo N5 O4
• Calculated formula: C20 H24 Br Mo N5 O4
• Title of publication: Molybdenum(0) tricarbonyl and tetracarbonyl complexes with a cationic pyrazolylpyridine ligand: synthesis, crystal structures and catalytic performance in olefin epoxidation
• Authors of publication: Nogueira, Lucie S.; Neves, Patrícia; Gomes, Ana C.; Lavrador, Pedro; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 29
• Pages of publication: 16294
• a: 7.542 ± 0.0012 Å
• b: 8.9322 ± 0.0012 Å
• c: 17.705 ± 0.003 Å
• α: 87.812 ± 0.007°
• β: 88.701 ± 0.008°
• γ: 87.216 ± 0.007°
• Cell volume: 1190.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No