Information card for entry 7034242

Structure parameters

• Chemical name: (bis{2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]ethyl}carbamato-κ^2^<i>N</i>,<i>O</i>)(carbonyl)(nitrosyl)tungsten
• Formula: C18 H36 N2 O4 P2 W
• Calculated formula: C18 H36 N2 O4 P2 W
• SMILES: C(#[O])[W]123(N=O)[N](C(=O)O1)(CC[P]2(C(C)C)C(C)C)CC[P]3(C(C)C)C(C)C
• Title of publication: Ligand assisted carbon dioxide activation and hydrogenation using molybdenum and tungsten amides.
• Authors of publication: Chakraborty, Subrata; Blacque, Olivier; Berke, Heinz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6560 - 6570
• a: 7.8847 ± 0.0001 Å
• b: 26.3644 ± 0.0004 Å
• c: 11.5872 ± 0.0002 Å
• α: 90°
• β: 106.979 ± 0.002°
• γ: 90°
• Cell volume: 2303.7 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No