Information card for entry 1556420

Structure parameters

• Formula: C23 H40 B Cu N P S
• Calculated formula: C23 H40 B Cu N P S
• SMILES: c1cccc2S[Cu]3([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[H][BH]([n]12)[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: 8.1672 ± 0.0001 Å
• b: 9.3837 ± 0.0001 Å
• c: 17.2612 ± 0.0002 Å
• α: 96.939 ± 0.001°
• β: 95.617 ± 0.001°
• γ: 112.373 ± 0.001°
• Cell volume: 1199.33 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No