Information card for entry 4065009

Structure parameters

• Formula: C19 H23 Mo N O5
• Calculated formula: C19 H23 Mo N O5
• Title of publication: Synthesis and Reactivity of Molybdenum Complexes Containing Functionalized Alkynyl Ligands: A Photochemically Activated CO-Releasing Molecule (PhotoCO-RM)
• Authors of publication: Zhang, Wei-Qiang; Atkin, Anthony J.; Fairlamb, Ian J. S.; Whitwood, Adrian C.; Lynam, Jason M.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4643
• a: 17.023 ± 0.003 Å
• b: 8.5476 ± 0.0013 Å
• c: 25.323 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3684.6 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No