Information card for entry 4341626

Structure parameters

• Formula: C19 H18 N O5 Re
• Calculated formula: C19 H18 N O5 Re
• SMILES: [Re]1([N](=Cc2c(O1)cc(cc2)C)c1cc(ccc1)C)([OH]C)(C#[O])(C#[O])C#[O]
• Title of publication: Solid State Isostructural Behavior and Quantified Limiting Substitution Kinetics in Schiff-Base Bidentate Ligand Complexes fac-[Re(O,N-Bid)(CO)3(MeOH)](n.)
• Authors of publication: Brink, Alice; Visser, Hendrik G.; Roodt, Andreas
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141113130540009
• a: 18.972 ± 0.0007 Å
• b: 14.2191 ± 0.0005 Å
• c: 14.2316 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3839.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No