Information card for entry 2205024

Structure parameters

• Chemical name: (tetrahydroborate-H,H')-bis(triphenylphosphine)-copper(I)
• Formula: C36 H34 B Cu P2
• Calculated formula: C36 H34 B Cu P2
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Cu]1([H][BH2][H]1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (Tetrahydroborato)bis(triphenylphosphine)copper(I): a redetermination at 90K
• Authors of publication: Moncol, Jan; Gembicky, Milan; Coppens, Philip
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m242 - m243
• a: 24.26 ± 0.001 Å
• b: 9.0818 ± 0.0005 Å
• c: 15.0164 ± 0.0008 Å
• α: 90°
• β: 115.516 ± 0.001°
• γ: 90°
• Cell volume: 2985.8 ± 0.3 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 5
• 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: 0.0245
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes