Information card for entry 4121772

Structure parameters

• Formula: C20 H44 Cl2 N P2 Re
• Calculated formula: C20 H44 Cl2 N P2 Re
• SMILES: [Re]12([P](CCN1CC[P]2(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(Cl)Cl
• Title of publication: Dinitrogen splitting and functionalization in the coordination sphere of rhenium.
• Authors of publication: Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 19
• Pages of publication: 6881 - 6883
• a: 12.1991 ± 0.0013 Å
• b: 12.3901 ± 0.0014 Å
• c: 16.5297 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No