Information card for entry 2206067

Structure parameters

• Chemical name: Oxotris(quinolin-8-olato-κ^2^O,N)tantalum(V) dichloromethane disolvate
• Formula: C29 H22 Cl4 N3 O4 Ta
• Calculated formula: C29 H22 Cl4 N3 O4 Ta
• SMILES: c12cccc3c1[n]([Ta]14(O3)([n]3cccc5cccc(c35)O1)([n]1cccc3cccc(O4)c13)=O)ccc2.ClCCl.C(Cl)Cl
• Title of publication: Oxotris(quinolin-8-olato-κ^2^<i>O,N</i>)tantalum(V) dichloromethane disolvate
• Authors of publication: Amini, Mostafa M.; Tamizkar, Tayebeh; Mirzaee, Mehdi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1053 - m1054
• a: 12.4473 ± 0.0005 Å
• b: 17.4957 ± 0.0007 Å
• c: 12.8805 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2805.04 ± 0.19 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes