Information card for entry 4335607

Structure parameters

• Formula: C21 H15 N2 O4 Re
• Calculated formula: C21 H15 N2 O4 Re
• Title of publication: Activation of Rhenium(I) Toward Substitution in fac-[Re(N,O'-Bid)(CO)3(HOCH3)] by Schiff-Base Bidentate Ligands (N,O'-Bid)
• Authors of publication: Alice Brink; Hendrik G. Visser; Andreas Roodt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8950 - 8961
• a: 10.291 ± 0.0002 Å
• b: 9.828 ± 0.0002 Å
• c: 18.9306 ± 0.0003 Å
• α: 90°
• β: 97.023 ± 0.002°
• γ: 90°
• Cell volume: 1900.27 ± 0.06 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 significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No