Information card for entry 4305388

Structure parameters

• Formula: C9 H13 N O4 Re
• Calculated formula: C9 H13 N O4 Re
• Title of publication: Reactions of the Re(CO)3(H2O)3+ Synthon with Monodentate Ligands under Aqueous Conditions
• Authors of publication: Brenton R. Franklin; Richard S. Herrick; Christopher J. Ziegler; Natalie Barone; Laura R. Condon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5902 - 5909
• a: 7.1308 ± 0.0009 Å
• b: 8.7059 ± 0.0011 Å
• c: 9.6359 ± 0.0013 Å
• α: 77.992 ± 0.002°
• β: 78.81 ± 0.002°
• γ: 83.014 ± 0.002°
• Cell volume: 571.92 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No