Information card for entry 4079933

Structure parameters

• Formula: C32 H28 Mo N4 O3 P2
• Calculated formula: C32 H28 Mo N4 O3 P2
• SMILES: [Mo]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(C#[N]CCN=N#N)(C#[O])(C#[O])C#[O]
• Title of publication: Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides
• Authors of publication: Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 289
• a: 22.5033 ± 0.0008 Å
• b: 9.8583 ± 0.0004 Å
• c: 13.5324 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002.1 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0266
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No