Information card for entry 7013869

Structure parameters

• Formula: C49 H45 Cl4 N2 O2 P2 Re
• Calculated formula: C49 H45 Cl4 N2 O2 P2 Re
• Title of publication: Synthesis, characterisation and molecular structure of Re(III) 2-oxacyclocarbenes stabilised by a benzoyldiazenido ligand.
• Authors of publication: Marvelli, Lorenza; Mantovani, Nicoletta; Marchi, Andrea; Rossi, Roberto; Brugnati, Michele; Peruzzini, Maurizio; Barbaro, Pierluigi; de los Rios, Isaac; Bertolasi, Valerio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 713 - 722
• a: 11.5556 ± 0.0002 Å
• b: 25.2193 ± 0.0006 Å
• c: 16.0769 ± 0.0002 Å
• α: 90°
• β: 101.176 ± 0.001°
• γ: 90°
• Cell volume: 4596.35 ± 0.15 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No