Information card for entry 7022733

Structure parameters

• Common name: [ReO(tmen)(rac-Glyc1P2,3H-2PH-kO2,3,P)].2H2O
• Formula: C9 H26 N2 O9 P Re
• Calculated formula: C9 H26 N2 O9 P Re
• Title of publication: Mixed sugar-core-phosphate chelation of D-fructose 1,6-bisphosphate with the Re(V)O(tmen) metal fragment.
• Authors of publication: Steinborn, Martin; Suhanji, Mihael; Klüfers, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5749 - 5754
• a: 14.1114 ± 0.0005 Å
• b: 7.5592 ± 0.0005 Å
• c: 16.5961 ± 0.0005 Å
• α: 90°
• β: 111.047 ± 0.0005°
• γ: 90°
• Cell volume: 1652.22 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0333
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No