Information card for entry 7034244

Structure parameters

• Chemical name: (2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]-<i>N</i>-{2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]ethyl}ethanamine-κ<i>N</i>)(dichloro)(nitrosyl)molybdenum
• Formula: C16 H37 Cl2 Mo N2 O P2
• Calculated formula: C16 H37 Cl2 Mo N2 O P2
• SMILES: C(C)(C)[P]1(C(C)C)CC[NH]2CC[P](C(C)C)(C(C)C)[Mo]12(N=O)(Cl)Cl
• 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: 7.3971 ± 0.0001 Å
• b: 13.2575 ± 0.0002 Å
• c: 23.8535 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2339.24 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No