Information card for entry 7036793

Structure parameters

• Formula: C19 H17 Cl4 N4 O3 Re
• Calculated formula: C19 H17 Cl4 N4 O3 Re
• SMILES: C12N(C=CN1C)C(c1ccccc1)N1C(=[Re]=2(C#[O])(C#[O])(Cl)C#[O])N(C=C1)C.C(Cl)(Cl)Cl
• Title of publication: Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands.
• Authors of publication: Chan, Chung Ying; Barnard, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19126 - 19140
• a: 15.0212 ± 0.0004 Å
• b: 12.3025 ± 0.0004 Å
• c: 12.4828 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2306.8 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No