Information card for entry 4304415

Structure parameters

• Formula: C100 H102 N14 O5 Ta6
• Calculated formula: C100 H102 N14 O5 Ta6
• SMILES: [Ta]1234([O]5678[Ta]9%10%11(=Nc%12ccccc%12)[N]1([Ta]1%125(=Nc5ccccc5)[N]%10([Ta]5%106(=Nc6ccccc6)[N]6([Ta]7([N]31c1ccccc1)(=Nc1ccccc1)([N]%125c1ccccc1)[N]4([Ta]86([N]29c1ccccc1)(=Nc1ccccc1)[N]%11%10c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)=Nc1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Oxygen-Centered Hexatantalum Tetradecaimido Cluster Complexes
• Authors of publication: Jamin L. Krinsky; Laura L. Anderson; John Arnold; Robert G. Bergman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1053 - 1066
• a: 13.6126 ± 0.0017 Å
• b: 13.8895 ± 0.0017 Å
• c: 14.0722 ± 0.0017 Å
• α: 89.991 ± 0.002°
• β: 76.981 ± 0.002°
• γ: 61.835 ± 0.002°
• Cell volume: 2267.8 ± 0.5 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No