Information card for entry 7049935

Structure parameters

• Formula: C13 H9 N2 O5 Re
• Calculated formula: C13 H9 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: 16.09 ± 0.005 Å
• b: 6.675 ± 0.005 Å
• c: 14.052 ± 0.005 Å
• α: 90°
• β: 112.128 ± 0.005°
• γ: 90°
• Cell volume: 1398 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No