Information card for entry 7009456

Structure parameters

• Formula: C20 H25 Br N O7 Re
• Calculated formula: C20 H25 Br N O7 Re
• SMILES: [Re]1(Br)([n]2c([C@H]3[O]1[C@H](C)C[C@H](O3)C)cccc2C1O[C@H](C)C[C@H](O1)C)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonylrhenium(I) halide complexes of 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]pyridine (L1) and 2,6-bis[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]pyridine (L2): structure and solution stereodynamics
• Authors of publication: Heard, Peter J.; King, Paul M.; Tocher, Derek A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1769
• a: 14.438 ± 0.002 Å
• b: 14.438 ± 0.002 Å
• c: 19.673 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3551.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.0814
• Goodness-of-fit parameter for all reflections: 1.007
• Goodness-of-fit parameter for significantly intense reflections: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No