Information card for entry 2228730

Structure parameters

• Chemical name: Bromidotricarbonyl[2-(pyridin-2-yl-κ<i>N</i>)-5-<i>p</i>-tolyl-1,3,4- oxadiazole κ<i>N</i>^3^]rhenium(I) dichloromethane monosolvate
• Formula: C18 H13 Br Cl2 N3 O4 Re
• Calculated formula: C18 H13 Br Cl2 N3 O4 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([n]2ccccc2c2[n]1nc(c1ccc(cc1)C)o2)Br.C(Cl)Cl
• Title of publication: Bromidotricarbonyl[2-(pyridin-2-yl-κ<i>N</i>)-5-<i>p</i>-tolyl-1,3,4-oxadiazole-κ<i>N</i>^3^]rhenium(I) dichloromethane monosolvate
• Authors of publication: Shi, Lin-Fang; Li, Yan-wei; Si, Zhen-jun; Guan, Ying; Cao, Hua-ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m9 - m10
• a: 12.59 ± 0.003 Å
• b: 19.621 ± 0.004 Å
• c: 17.66 ± 0.004 Å
• α: 90°
• β: 101.77 ± 0.03°
• γ: 90°
• Cell volume: 4270.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes