Information card for entry 1556419

Structure parameters

• Formula: C23 H22 B Cu N P S
• Calculated formula: C23 H22 B Cu N P S
• SMILES: c1ccc[n]2[BH]3[H][Cu]([P](c4ccccc4)(c4ccccc4)c4ccccc4)(Sc12)[H]3
• Title of publication: Adding to the Family of Copper Complexes Featuring Borohydride Ligands Based on 2-Mercaptopyridyl Units
• Authors of publication: Goldsworthy, J.; Thomas, S.D.; Tizzard, G.J.; Coles, S.J.; Owen, G.R.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 93
• a: 11.90994 ± 0.00006 Å
• b: 13.21619 ± 0.00007 Å
• c: 26.83905 ± 0.00013 Å
• α: 90°
• β: 97.6274 ± 0.0004°
• γ: 90°
• Cell volume: 4187.2 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0246
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No