Information card for entry 4060673

Structure parameters

• Common name: Re(CO)~3~(4,4-dmbpy)OH
• Chemical name: Re(CO)~3~(4,4-dimethyl-2,2-bipyridine)OH
• Formula: C15 H23 N2 O9 Re
• Calculated formula: C15 H23 N2 O9 Re
• SMILES: [Re]1(O)([n]2ccc(cc2c2[n]1ccc(c2)C)C)(C#[O])(C#[O])C#[O].O.O.O.O.O
• Title of publication: Synthesis and Reactions of fac-[Re(dmbpy)(CO)3X] (dmbpy \δb 4,4'-Dimethyl-2,2'-bipyridine; X =COOH, CHO) and Their Derivatives
• Authors of publication: Dorothy H. Gibson; Xiaolong Yin; Haiyang He; Mark S. Mashuta
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Pages of publication: 337 - 346
• a: 38.655 ± 0.005 Å
• b: 12.6467 ± 0.0015 Å
• c: 8.5136 ± 0.001 Å
• α: 90°
• β: 95.985 ± 0.002°
• γ: 90°
• Cell volume: 4139.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No