Information card for entry 7044991

Structure parameters

• Formula: C27 H43 N2 P2 Re
• Calculated formula: C27 H43 N2 P2 Re
• Title of publication: High-valent nitridorhenium(v) complexes containing PNP ligands: implications of ligand flexibility.
• Authors of publication: Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 758 - 768
• a: 11.3035 ± 0.0003 Å
• b: 9.4544 ± 0.0003 Å
• c: 12.6328 ± 0.0004 Å
• α: 90°
• β: 97.635 ± 0.002°
• γ: 90°
• Cell volume: 1338.07 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.448
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No