Information card for entry 4077423

Structure parameters

• Formula: C28 H42 Cl Ni P
• Calculated formula: C28 H42 Cl Ni P
• SMILES: [Ni]1234(Cl)([c]5([cH]1[cH]2[c]13[c]45cccc1)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• 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: 13.4028 ± 0.0004 Å
• b: 39.7337 ± 0.0012 Å
• c: 10.3414 ± 0.0003 Å
• α: 90°
• β: 101.896 ± 0.001°
• γ: 90°
• Cell volume: 5389 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0939
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections: 1.007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No