Information card for entry 4341230

Structure parameters

• Formula: C34 H29 Cl2 N4 O9 Re S
• Calculated formula: C34 H29 Cl2 N4 O9 Re S
• Title of publication: Rhenium and technetium tricarbonyl complexes of N-heterocyclic carbene ligands.
• Authors of publication: Chan, Chung Ying; Pellegrini, Paul A.; Greguric, Ivan; Barnard, Peter J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 10862 - 10873
• a: 10.8019 ± 0.0003 Å
• b: 13.7644 ± 0.0003 Å
• c: 13.8159 ± 0.0004 Å
• α: 116.91 ± 0.003°
• β: 102.629 ± 0.002°
• γ: 92.489 ± 0.002°
• Cell volume: 1763.33 ± 0.1 ų
• Cell temperature: 173.22 ± 0.1 K
• Ambient diffraction temperature: 173.22 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No