Information card for entry 7044220

Structure parameters

• Common name: [Mo(allyl)(N3)(bpy)(CO)2]
• Formula: C15 H13 Mo N5 O2
• Calculated formula: C15 H13 Mo N5 O2
• SMILES: C(#[O])[Mo]123([CH2]=[CH]1C2)(N=N#N)([n]1ccccc1c1cccc[n]31)C#[O]
• Title of publication: Catalyst-free room-temperature iClick reaction of molybdenum(II) and tungsten(II) azide complexes with electron-poor alkynes: Structural preferences and kinetic studies
• Authors of publication: Schmid, Paul; Maier, Matthias; Pfeiffer, Hendrik; Belz, Anja; Henry, Lucas; Friedrich, Alexandra; Schönfeld, Fabian; Edkins, Katharina; Schatzschneider, Ulrich
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.961 ± 0.011 Å
• b: 13.755 ± 0.006 Å
• c: 6.589 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1537.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0332
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No