Information card for entry 7027804

Structure parameters

• Formula: C22 H25 Cl4 N4 Nb O2
• Calculated formula: C22 H25 Cl4 N4 Nb O2
• SMILES: [Nb]123(Cl)(Cl)(OC(=O)C(n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)C(=C3c1ccccc1)C.ClCCl
• Title of publication: Syntheses and crystal structures of lithium and niobium complexes containing a new type of monoanionic “scorpionate” ligand †
• Authors of publication: Otero, A.; Fernández-Baeza, J.; Tejeda, J.; Antiñolo, A.; Carrillo-Hermosilla, F.; Díez-Barra, E.; Lara-Sánchez, A.; Fernández-López, M.; Lanfranchi, M.; Pellinghelli, M. A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 20
• Pages of publication: 3537
• a: 19.242 ± 0.007 Å
• b: 8.024 ± 0.003 Å
• c: 34.146 ± 0.01 Å
• α: 90°
• β: 91.3 ± 0.02°
• γ: 90°
• Cell volume: 5271 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No