Information card for entry 4081739

Structure parameters

• Formula: C17 H27 Cl2 N3 Ta
• Calculated formula: C17 H27 Cl2 N3 Ta
• Title of publication: High- and Mid-Valent Tantalum and Mono(peralkylcyclopentadienyl)tantalum Complexes of the Bicyclic Guanidinate Hexahydropyrimidopyrimidinate
• Authors of publication: Mohammad, Adil; Olson, Justine R.; Rotsch, David A.; Bemowski, Ross D.; Swenson, Dale C.; Messerle, Louis
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6232
• a: 8.7191 ± 0.001 Å
• b: 9.214 ± 0.001 Å
• c: 13.0122 ± 0.0014 Å
• α: 83.847 ± 0.005°
• β: 73.764 ± 0.005°
• γ: 71.654 ± 0.005°
• Cell volume: 952.46 ± 0.19 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No