Information card for entry 4086389

Structure parameters

• Formula: C16 H25 Cr N3 O3 P2
• Calculated formula: C16 H25 Cr N3 O3 P2
• SMILES: [Cr]12([P](Nc3[n]2c(N[P]1(CC)CC)ccc3)(CC)CC)(C#[O])(C#[O])C#[O]
• Title of publication: A Convenient Solvothermal Synthesis of Group 6 PNP Pincer Tricarbonyl Complexes
• Authors of publication: Mastalir, Matthias; de Aguiar, Sara R. M. M.; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 229
• a: 9.7554 ± 0.0007 Å
• b: 11.6087 ± 0.0008 Å
• c: 17.5753 ± 0.0012 Å
• α: 90°
• β: 96.9255 ± 0.0017°
• γ: 90°
• Cell volume: 1975.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for significantly intense reflections: 2.68
• Goodness-of-fit parameter for all reflections included in the refinement: 2.59
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No