Information card for entry 4325979

Structure parameters

• Formula: C26 H44 B4 Ca2 N12 O2
• Calculated formula: C26 H44 B4 Ca2 N12 O2
• Title of publication: Efficient Hydride and Pyrazolyl Redistribution upon Thermolysis of a Calcium Complex Containing Dihydrobis(pyrazolyl)borate Ligands
• Authors of publication: Mark J. Saly; Jing Li; Mary Jane Heeg; Charles H. Winter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7385 - 7387
• a: 11.1854 ± 0.0006 Å
• b: 12.819 ± 0.0006 Å
• c: 13.8733 ± 0.0007 Å
• α: 92.26 ± 0.002°
• β: 102.222 ± 0.002°
• γ: 105.636 ± 0.002°
• Cell volume: 1862.33 ± 0.16 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No