Information card for entry 2007780

Structure parameters

• Formula: C23 H16 Cl N4 O3 Re
• Calculated formula: C23 H16 Cl N4 O3 Re
• SMILES: [Re](Cl)([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1ccncc1)(C#[O])(C#[O])C#[O]
• Title of publication: <i>fac</i>-Tricarbonylchlorobis(pyridine-<i>N</i>)rhenium and <i>fac</i>-Tricarbonylchlorobis(4,4'-bipyridine-<i>N</i>)rhenium
• Authors of publication: Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1596 - 1600
• a: 7.126 ± 0.002 Å
• b: 14.658 ± 0.003 Å
• c: 21.517 ± 0.006 Å
• α: 90°
• β: 98.63 ± 0.02°
• γ: 90°
• Cell volume: 2222.1 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.028
• Goodness-of-fit parameter for significantly intense reflections: 1.49
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No