Information card for entry 7035513

Structure parameters

• Formula: C23 H23 B Cl4 Cu N3
• Calculated formula: C23 H23 B Cl4 Cu N3
• SMILES: [Cu]12(N(C(=CC(=[N]1c1c(Cl)cccc1Cl)C)C)c1c(Cl)cccc1Cl)[H][BH]([H]2)[n]1c(cccc1)C
• Title of publication: Bis(σ-B-H) complexes of copper(i): precursors to a heterogeneous amine-borane dehydrogenation catalyst.
• Authors of publication: Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12530 - 12534
• a: 11.0385 ± 0.0002 Å
• b: 15.6053 ± 0.0003 Å
• c: 14.7655 ± 0.0003 Å
• α: 90°
• β: 97.005 ± 0.002°
• γ: 90°
• Cell volume: 2524.51 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No