Information card for entry 7055530

Structure parameters

• Formula: C46 H56 Cl18 N4 Nb2
• Calculated formula: C46 H56 Cl18 N4 Nb2
• 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: 13.8499 ± 0.001 Å
• b: 15.0205 ± 0.001 Å
• c: 16.9789 ± 0.0011 Å
• α: 66.765 ± 0.003°
• β: 86.819 ± 0.004°
• γ: 71.851 ± 0.003°
• Cell volume: 3075 ± 0.4 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: 0.0802
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No