Information card for entry 1515439

Structure parameters

• Common name: Nickel bis(5-H-dibenzo(a,d)cyclohepten-5-yl)-amine triphenylphosphane
• Chemical name: Nickel bis(5-H-dibenzo[a,d]cyclohepten-5-yl)-amine triphenylphosphane
• Formula: C48 H38 N Ni P
• Calculated formula: C48 H38 N Ni P
• SMILES: c1c2[CH]3[Ni]456([P](c7ccccc7)(c7ccccc7)c7ccccc7)[CH]7c8c(C([NH]4C(c2ccc1)c1c([CH]=35)cccc1)c1ccccc1[CH]6=7)cccc8
• Title of publication: Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes
• Authors of publication: Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 723
• a: 11.413 ± 0.0011 Å
• b: 12.0679 ± 0.0011 Å
• c: 14.4208 ± 0.0013 Å
• α: 98.677 ± 0.002°
• β: 95.682 ± 0.002°
• γ: 114.432 ± 0.002°
• Cell volume: 1758.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No