Information card for entry 7012718

Structure parameters

• Formula: C43 H38 Cl4 N8 Nb2 O4
• Calculated formula: C43 H38 Cl4 N8 Nb2 O4
• Title of publication: Niobium complexes containing a new chiral heteroscorpionate ligand and the reactivity of such a complex with O2 to give the first gem-diolate niobium complex
• Authors of publication: Otero, A.; Fernández-Baeza, J.; Antiñolo, A.; Tejeda, J.; Lara-Sánchez, A.; Sánchez-Barba, L.; Expósito, M. T.; Rodríguez, A. M.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1614
• a: 36.442 ± 0.005 Å
• b: 36.442 ± 0.008 Å
• c: 19.618 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22563 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.3362
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No