Information card for entry 7004038

Structure parameters

• Formula: C17 H18 F6 N6 O4 P Re
• Calculated formula: C17 H18 F6 N6 O4 P Re
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[n]3c(C(c4[n]1ccn4C)(c1[n]2ccn1C)OC)n(cc3)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Rhenium(i) compounds bound by tripodal ligands of pyridine and N-methylimidazole
• Authors of publication: Herrick, Richard S.; Ziegler, Christopher J.; Jameson, Donald L.; Aquina, Christopher; Çetin, Anıl; Franklin, Brenton R.; Condon, Laura R.; Barone, Natalie; Lopez, Joseph
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3605 - 3609
• a: 10.515 ± 0.007 Å
• b: 13.779 ± 0.01 Å
• c: 15.226 ± 0.011 Å
• α: 90°
• β: 90.36 ± 0.013°
• γ: 90°
• Cell volume: 2206 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0732
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No