Information card for entry 7022001

Structure parameters

• Formula: C36 H44 N8 Ni
• Calculated formula: C36 H44 N8 Ni
• SMILES: CC1C(=[N]([Ni]2([N]=1CCc1ncccc1)[N](=C(C(C)=[N]2CCc1ncccc1)C)CCc1ccccn1)CCc1ncccc1)C
• Title of publication: Importance of co-donor field strength in the preparation of tetradentate α-diimine nickel hydrosilylation catalysts.
• Authors of publication: Porter, Tyler M.; Hall, Gabriel B.; Groy, Thomas L.; Trovitch, Ryan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14689 - 14692
• a: 9.3548 ± 0.0008 Å
• b: 20.4687 ± 0.0017 Å
• c: 17.6111 ± 0.0015 Å
• α: 90°
• β: 94.424 ± 0.002°
• γ: 90°
• Cell volume: 3362.1 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No