Information card for entry 4072594

Structure parameters

• Chemical name: not known
• Formula: C21 H26 Br2 N2 Ni O
• Calculated formula: C21 H26 Br2 N2 Ni O
• SMILES: Br[Ni]12(Br)[O]=C(C)c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)C
• Title of publication: Iminopyridine Complexes of 3d Metals for Ethylene Polymerization: Comparative Structural Studies and Ligand Size Controlled Chain Termination
• Authors of publication: Kaul, Franz A. R.; Puchta, Gerd T.; Frey, Guido D.; Herdtweck, Eberhardt; Herrmann, Wolfgang A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 988
• a: 10.4153 ± 0.0002 Å
• b: 16.0983 ± 0.0004 Å
• c: 13.4869 ± 0.0002 Å
• α: 90°
• β: 92.393 ± 0.001°
• γ: 90°
• Cell volume: 2259.36 ± 0.08 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No