Information card for entry 4315437

Structure parameters

• Formula: C42 H33 B Cl Cu P2
• Calculated formula: C42 H33 B Cl Cu P2
• SMILES: [Cu]123(Cl)[P](c4c([B]2([c]23ccccc2)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)cccc4)(c1ccccc1)c1ccccc1
• Title of publication: Copper(I) Complexes derived from Mono- and Diphosphino-Boranes: Cu\ρightarrowB Interactions Supported by Arene Coordination
• Authors of publication: M. Sircoglou; S. Bontemps; M. Mercy; K. Miqueu; S. Ladeira; N. Saffon; L. Maron; G. Bouhadir; D. Bourissou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3983 - 3990
• a: 9.4188 ± 0.0009 Å
• b: 9.5832 ± 0.0009 Å
• c: 20.334 ± 0.002 Å
• α: 85.921 ± 0.002°
• β: 85.875 ± 0.002°
• γ: 69.778 ± 0.002°
• Cell volume: 1715.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No