Information card for entry 7014594

Structure parameters

• Formula: C40 H33 Cl5 N2 O2 P Re
• Calculated formula: C40 H33 Cl5 N2 O2 P Re
• SMILES: [Re]123(Cl)([P](c4ccccc4)(c4ccccc4)c4ccccc4)Oc4ccccc4C=[N]1c1ccccc1[N]3=Cc1ccccc1O2.ClCCl.C(Cl)Cl
• Title of publication: Re(V) and Re(III) complexes with sal2phen and triphenylphosphine: rearrangement, oxidation and reduction.
• Authors of publication: Lane, Stephanie Renee; Sisay, Nebiat; Carney, Brett; Dannoon, Shorouk; Williams, Stephen; Engelbrecht, Hendrik Petrus; Barnes, Charles Leslie; Jurisson, Silvia Sabine
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 269 - 276
• a: 23.0805 ± 0.0007 Å
• b: 13.1946 ± 0.0004 Å
• c: 25.9868 ± 0.0008 Å
• α: 90°
• β: 104.447 ± 0.001°
• γ: 90°
• Cell volume: 7663.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No