Information card for entry 2206439

Structure parameters

• Chemical name: Chloro[η^5^-1-(dimethylaminoethyl)indenyl](triphenylphosphine)nickel(II) diethyl ether hemisolvate
• Formula: C33 H36 Cl N Ni O0.5 P
• Calculated formula: C33 H36 Cl N Ni O0.5 P
• SMILES: [Ni]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[C]3(=[CH]1C2c1ccccc31)CCN(C)C.O(CC)CC
• Title of publication: Chloro[η^5^-1-(dimethylaminoethyl)indenyl](triphenylphosphine)nickel(II) diethyl ether hemisolvate
• Authors of publication: Castonguay, Annie; Beauchamp, André L.; Vachon, Jason; Zargarian, Davit
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1512 - m1513
• a: 12.7839 ± 0.0005 Å
• b: 12.9973 ± 0.0006 Å
• c: 18.0683 ± 0.0008 Å
• α: 100.725 ± 0.002°
• β: 98.363 ± 0.002°
• γ: 90.364 ± 0.002°
• Cell volume: 2916.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes