Information card for entry 2200765

Structure parameters

• Chemical name: [1,2-Bis(diphenylphosphino)ethane]dibromonickel(II) tetrahydrofuran solvate
• Formula: C30 H32 Br2 Ni O P2
• Calculated formula: C30 H32 Br2 Ni O P2
• SMILES: [Ni]1(Br)(Br)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: [1,2-Bis(diphenylphosphino)ethane]dibromonickel(II) tetrahydrofuran solvate
• Authors of publication: Sophie Beaudoin; Davit Zargarian; Francine Bélanger-Gariépy; Frédéric-Georges Fontaine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m433 - m434
• a: 11.709 ± 0.005 Å
• b: 14.551 ± 0.004 Å
• c: 17.558 ± 0.006 Å
• α: 90°
• β: 107.38 ± 0.03°
• γ: 90°
• Cell volume: 2854.9 ± 1.8 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 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: 0.0578
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes