Information card for entry 7049838

Structure parameters

• Formula: C27 H48 Cl3 N2 O3 Re
• Calculated formula: C27 H48 Cl3 N2 O3 Re
• Title of publication: Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.
• Authors of publication: Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8106 - 8115
• a: 10.3673 ± 0.0017 Å
• b: 17.062 ± 0.003 Å
• c: 17.831 ± 0.003 Å
• α: 90°
• β: 91.518 ± 0.008°
• γ: 90°
• Cell volume: 3153 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No