Information card for entry 8101417

Structure parameters

• Chemical name: [(phenanthroline)(1-phenyl)-4,4,4-trifluoro-1,3-butanedianto)(O-nitrato)- copper(II)]
• Formula: C22 H14 Cu F3 N3 O5
• Calculated formula: C22 H14 Cu F3 N3 O5
• SMILES: [Cu]12(OC(=CC(=[O]1)C(F)(F)F)c1ccccc1)([n]1c3c(ccc1)ccc1ccc[n]2c31)ON(=O)=O
• Title of publication: Crystal structure of [(phenanthroline)(1-phenyl-4,4,4-trifluoro-1, 3-butanedionato)(O-nitrato)copper(II)], CuF~3~O~2~N~2~C~22~H~14~[NO~3~]
• Authors of publication: Voutsas, G. P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 31 - 32
• a: 9.923 Å
• b: 15.437 Å
• c: 13.731 Å
• α: 90°
• β: 99.01°
• γ: 90°
• Cell volume: 2077.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1279
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No