Information card for entry 4063642

Structure parameters

• Formula: C35 H38 N2 Ni O
• Calculated formula: C35 H38 N2 Ni O
• SMILES: [Ni]1(OC2=C(C=[N]1c1c(C(C)C)cccc1C(C)C)CCc1c2c(c2ccccc2)ccc1)([n]1ccccc1)C
• Title of publication: Observations and Mechanistic Insights on Unusual Stability of Neutral Nickel Complexes with a Sterically Crowded Metal Center
• Authors of publication: Song, Dong-Po; Wang, Yong-Xia; Mu, Hong-Liang; Li, Bai-Xiang; Li, Yue-Sheng
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 925
• a: 15.9534 ± 0.0006 Å
• b: 19.7986 ± 0.0008 Å
• c: 9.6037 ± 0.0004 Å
• α: 90°
• β: 91.588 ± 0.001°
• γ: 90°
• Cell volume: 3032.2 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No