Information card for entry 7024194

Structure parameters

• Common name: ReO(His)(MeaDManp)
• Formula: C15 H28 N3 O11 Re
• Calculated formula: C15 H28 N3 O11 Re
• SMILES: [Re]123(=O)(O[C@@H]4[C@@H](OC)O[C@@H]([C@H]([C@@H]4O1)O)CO)OC(=O)[C@@H]([NH2]2)Cc1[n]3c[nH]c1.OC.OC
• Title of publication: Oxidorhenium(V) complexes with L-histidine and pyranosides.
• Authors of publication: Grimminger, Philipp; Klüfers, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 715 - 719
• a: 25.2622 ± 0.0004 Å
• b: 9.0735 ± 0.0002 Å
• c: 10.4724 ± 0.0002 Å
• α: 90°
• β: 114.205 ± 0.0009°
• γ: 90°
• Cell volume: 2189.4 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No