Information card for entry 4066391

Structure parameters

• Formula: C44 H80 B2 Ba N8
• Calculated formula: C44 H80 B2 Ba N8
• Title of publication: Highly Distorted κ3-N,N,H Bonding of Bis(3,5-di-tert-butylpyrazolyl)borate Ligands to the Heavier Group 2 Elements†
• Authors of publication: Saly, Mark J.; Winter, Charles H.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5472
• a: 10.4116 ± 0.0003 Å
• b: 13.6556 ± 0.0004 Å
• c: 19.4015 ± 0.0006 Å
• α: 107.494 ± 0.001°
• β: 94.077 ± 0.002°
• γ: 105.405 ± 0.001°
• Cell volume: 2501.92 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No