Information card for entry 4072239

Structure parameters

• Formula: C24 H26 Cl2 N O4 Ta
• Calculated formula: C24 H26 Cl2 N O4 Ta
• SMILES: [Ta]123456(Cl)(Cl)([n]7c(C(=O)O1)cccc7C(=O)O2)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.c1(ccccc1)C
• Title of publication: Oxo and Hydroxo Organometallic Complexes of Tantalum: Soluble Molecular Models of Tantalum Oxide
• Authors of publication: Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6090
• a: 8.9484 ± 0.0006 Å
• b: 10.9534 ± 0.0008 Å
• c: 24.7479 ± 0.0018 Å
• α: 90°
• β: 98.5 ± 0.001°
• γ: 90°
• Cell volume: 2399 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No