Information card for entry 4304418

Structure parameters

• Formula: C120 H132 Co N14 O5 Ta6
• Calculated formula: C120 H132 Co N14 O5 Ta6
• SMILES: [Ta]1234([N]5(c1ccccc1)[Ta]678([N]1(c1ccccc1)[Ta]19%10([N]6(c6ccccc6)[Ta]6%11%12([N]1(c1ccccc1)[Ta]1%13([N]2(c2ccccc2)[Ta]5([O]47961)(=Nc1ccccc1)([N]%11%13c1ccccc1)[N]8%12c1ccccc1)(=Nc1ccccc1)[N]3%10c1ccccc1)=Nc1ccccc1)=Nc1ccccc1)=Nc1ccccc1)=Nc1ccccc1.[Co]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.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: 24.989 ± 0.002 Å
• b: 15.2762 ± 0.0014 Å
• c: 29.288 ± 0.003 Å
• α: 90°
• β: 99.836 ± 0.001°
• γ: 90°
• Cell volume: 11016 ± 1.8 ų
• Cell temperature: 136 ± 2 K
• Ambient diffraction temperature: 136 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No