Information card for entry 4304393

Structure parameters

• Formula: C43 H18 B Cu F20 N4 O
• Calculated formula: C43 H18 B Cu F20 N4 O
• SMILES: [Cu]123([n]4ccccc4C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)C#[O].[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Carbon Monoxide Coordination and Reversible Photodissociation in Copper(I) Pyridylalkylamine Compounds
• Authors of publication: H. Christopher Fry; Heather R. Lucas; Amy A. Narducci Sarjeant; Kenneth D. Karlin; Gerald J. Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 241 - 256
• a: 15.063 ± 0.0009 Å
• b: 18.9983 ± 0.0009 Å
• c: 14.8122 ± 0.0011 Å
• α: 90°
• β: 107.037 ± 0.006°
• γ: 90°
• Cell volume: 4052.8 ± 0.5 ų
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No