Information card for entry 4321422

Structure parameters

• Formula: C20.5 H31 B Cl3 N8 Y
• Calculated formula: C20.5 H30 B Cl3 N8 Y
• Title of publication: Yttrium and Neodymium Di- and Monohalide Complexes Based on Scorpionate (Poly(pyrazolyl)borate) Ligands
• Authors of publication: David P. Long; A. Chandrasekaran; Roberta O. Day; Patricia A. Bianconi; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4476 - 4487
• a: 20.8 ± 0.007 Å
• b: 10.99 ± 0.003 Å
• c: 25.177 ± 0.004 Å
• α: 90°
• β: 96.04 ± 0.02°
• γ: 90°
• Cell volume: 5723 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1699
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections: 0.1882
• Weighted residual factors for significantly intense reflections: 0.1092
• Goodness-of-fit parameter for all reflections: 1.104
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes