Information card for entry 4341627

Structure parameters

• Formula: C17 H20 N O5 Re
• Calculated formula: C17 H20 N O5 Re
• SMILES: [Re]1([N](=Cc2c(O1)cccc2)C1CCCCC1)([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: 18.096 ± 0.004 Å
• b: 14.441 ± 0.003 Å
• c: 13.753 ± 0.003 Å
• α: 90°
• β: 107.18 ± 0.03°
• γ: 90°
• Cell volume: 3433.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No