Information card for entry 4071735

Structure parameters

• Formula: C27 H21 N O4 P Re
• Calculated formula: C27 H21 N O4 P Re
• SMILES: [Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(n2c(C(=[O]1)C)ccc2)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of Rhenium Carbonyl Complexes Bearing Substituted Pyrrolyl Ligands
• Authors of publication: Mirebeau, Jean-Hugues; Le Bideau, Franck; Marrot, Jérôme; Jaouen, Gérard
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 2911
• a: 18.0665 ± 0.0006 Å
• b: 8.2603 ± 0.0002 Å
• c: 18.3269 ± 0.0006 Å
• α: 90°
• β: 118.733 ± 0.002°
• γ: 90°
• Cell volume: 2398.25 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.343
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No