Information card for entry 7014635

Structure parameters

• Formula: C45 H65 Cl3 N Nb O3
• Calculated formula: C45 H65 Cl3 N Nb O3
• SMILES: [Nb]1(Cl)(Cl)(Cl)(Oc2c(C(c3c(O)c(cc(c3)C(C)(C)C)C(C)(C)C)c3cc(cc(C(C)(C)C)c3O1)C(C)(C)C)cc(cc2C(C)(C)C)C(C)(C)C)[N]#CC
• Title of publication: Synthesis and reactivity of niobium complexes having a tripodal triaryloxide ligand in bidentate, tridentate, and tetradentate coordination modes.
• Authors of publication: Akagi, Fumio; Ishida, Yutaka; Matsuo, Tsukasa; Kawaguchi, Hiroyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2375 - 2382
• a: 12.485 ± 0.005 Å
• b: 20.674 ± 0.008 Å
• c: 20.252 ± 0.008 Å
• α: 90°
• β: 116.921 ± 0.005°
• γ: 90°
• Cell volume: 4661 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No