Information card for entry 2203525

Structure parameters

• Chemical name: Bis(μ~2~-azido)-bis(hydrotris(1-pyrazolyl)borato)-di-copper(II)
• Formula: C18 H20 B2 Cu2 N18
• Calculated formula: C18 H20 B2 Cu2 N18
• SMILES: [BH]12n3ccc[n]3[Cu]3([n]4cccn14)([n]1cccn21)[N](=N#N)[Cu]12([n]4cccn4[BH](n4ccc[n]14)n1ccc[n]21)[N]3=N#N
• Title of publication: Di-μ-azido-bis{[hydrotris(pyrazol-1-yl)borato]copper(II)}
• Authors of publication: Wang, Shi; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m376 - m377
• a: 7.515 ± 0.001 Å
• b: 13.363 ± 0.002 Å
• c: 13.285 ± 0.002 Å
• α: 90°
• β: 93.65 ± 0.01°
• γ: 90°
• Cell volume: 1331.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes