Information card for entry 7055531

Structure parameters

• Formula: C46 H56 Cl18 N4 Ta2
• Calculated formula: C46 H56 Cl18 N4 Ta2
• Title of publication: Mono- and bis-N-heterocyclic carbene complexes of tantalum and niobium with high oxidation states
• Authors of publication: Wei, ZhenHong; Zhang, Wenbiao; Luo, Guangming; Xu, Feng; Mei, YingXuan; Cai, Hu
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 6270
• a: 13.87 ± 0.002 Å
• b: 15.029 ± 0.002 Å
• c: 17.015 ± 0.003 Å
• α: 66.68 ± 0.002°
• β: 86.872 ± 0.002°
• γ: 71.673 ± 0.002°
• Cell volume: 3081.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0584
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No