Information card for entry 7036787

Structure parameters

• Chemical name: 6.Cl4
• Formula: C26 H40 Cl4 N8 O3
• Calculated formula: C26 H40 Cl4 N8 O3
• SMILES: n1(C(n2c[n+](cc2)C)c2ccc(cc2)C(n2cc[n+](c2)C)n2cc[n+](c2)C)c[n+](cc1)C.CO.CO.[Cl-].[Cl-].[Cl-].[Cl-].O
• 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: 9.8817 ± 0.0003 Å
• b: 12.7702 ± 0.0006 Å
• c: 13.4397 ± 0.0005 Å
• α: 107.655 ± 0.004°
• β: 95.924 ± 0.003°
• γ: 92.5 ± 0.003°
• Cell volume: 1602.43 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No