Information card for entry 7049934

Structure parameters

• Formula: C17 H15 N2 O5 Re
• Calculated formula: C17 H15 N2 O5 Re
• Title of publication: Ambient and high-pressure kinetic investigation of methanol substitution in fac-[Re(Trop)(CO)₃(MeOH)] by different monodentate nucleophiles.
• Authors of publication: Schutte-Smith, Marietjie; Roodt, Andreas; Visser, Hendrik G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 9984 - 9997
• a: 8.041 ± 0.005 Å
• b: 14.996 ± 0.005 Å
• c: 14.385 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.333 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1716.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No