Information card for entry 4077422

Structure parameters

• Formula: C13 H18 Cl Ni P
• Calculated formula: C13 H18 Cl Ni P
• SMILES: [Ni]1234(Cl)([P](C)(C)C)[c]5([cH]1[cH]2[c]13cccc[c]451)C
• Title of publication: Solid State Structures and Phosphine Exchange Reactions of (1-Me-Indenyl)(PR3)Ni−Cl
• Authors of publication: Fontaine, Frédéric-Georges; Dubois, Marc-André; Zargarian, Davit
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 24
• Pages of publication: 5156
• a: 7.783 ± 0.002 Å
• b: 11.904 ± 0.007 Å
• c: 15.041 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1393.5 ± 1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for all reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No