Information card for entry 2224629

Structure parameters

• Chemical name: <i>trans</i>-(2,2'-Bipyrimidine)diiodido(isopropoxido)oxidorhenium(V)
• Formula: C11 H13 I2 N4 O2 Re
• Calculated formula: C11 H13 I2 N4 O2 Re
• SMILES: [Re]1(I)(I)(=O)(OC(C)C)[n]2cccnc2c2[n]1cccn2
• Title of publication: <i>trans</i>-(2,2'-Bipyrimidine)diiodido(isopropoxido)oxidorhenium(V)
• Authors of publication: Kochel, Andrzej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m42 - m43
• a: 10.3973 ± 0.0003 Å
• b: 10.9046 ± 0.0003 Å
• c: 15.6341 ± 0.0006 Å
• α: 90°
• β: 117.616 ± 0.002°
• γ: 90°
• Cell volume: 1570.63 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes