Information card for entry 7052434

Structure parameters

• Formula: C40 H38 Cl3 O2 P2 Re
• Calculated formula: C36 H28 Cl3 O P2 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([P](c2c(cccc2)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1)=O
• Title of publication: Synthesis, characterization and structural investigation of new rhenium-oxo complexes containing bidentate phosphine ligands: an exploration of chirality and conformation in chelate rings of small and large bite angle ligands
• Authors of publication: Parr, Maria L.; Perez-Acosta, Carmen; Faller, J. W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 613
• a: 10.6209 ± 0.0003 Å
• b: 11.6561 ± 0.0003 Å
• c: 16.7301 ± 0.0005 Å
• α: 69.9318 ± 0.0013°
• β: 85.4535 ± 0.0013°
• γ: 69.6 ± 0.0013°
• Cell volume: 1821.48 ± 0.09 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections: 1.292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No