Information card for entry 4304417

Structure parameters

• Formula: C108 H94 N14 O Ta6
• Calculated formula: C108 H94 N14 O Ta6
• SMILES: [Ta]1234([O]5678[Ta]9%10%11([N]1([Ta]1%125([N]%11([Ta]5%116([N]%10([Ta]68([N]29c2ccccc2)([N]5([Ta]7([N]1%11c1ccccc1)(=Nc1ccccc1)([N]3%12c1ccccc1)[N]46c1ccccc1)c1ccccc1)=Nc1ccccc1)c1ccccc1)=Nc1ccccc1)c1ccccc1)=Nc1ccccc1)c1ccccc1)=Nc1ccccc1)=Nc1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 14.137 ± 0.003 Å
• b: 14.262 ± 0.003 Å
• c: 14.343 ± 0.003 Å
• α: 76.192 ± 0.004°
• β: 72.097 ± 0.004°
• γ: 60.491 ± 0.004°
• Cell volume: 2381.5 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No