Information card for entry 4065007

Structure parameters

• Formula: C19 H24 Mo N2 O3
• Calculated formula: C19 H24 Mo N2 O3
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]162345(C#[O])(C#[O])C[C]1(=[CH]6C(=O)N1CCCC1)N1CCCC1
• 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: 8.2474 ± 0.0011 Å
• b: 10.4284 ± 0.0014 Å
• c: 10.9979 ± 0.0015 Å
• α: 75.001 ± 0.002°
• β: 74.407 ± 0.002°
• γ: 83.552 ± 0.002°
• Cell volume: 879.1 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No