Information card for entry 7100118

Structure parameters

• Formula: C28 H38 N3 Ni
• Calculated formula: C28 H38 N3 Ni
• SMILES: [Ni]12([n]3ccc(cc3c3cc(cc([n]13)c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)C(C)(C)C)C
• Title of publication: Analysis of Key Steps in the Catalytic Cross-Coupling of Alkyl Electrophiles Under Negishi-like Conditions
• Authors of publication: David Vicic; Thomas J. Anderson; Gavin D. Jones; Chris McFarland
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 11.89 ± 0.01 Å
• b: 10.947 ± 0.017 Å
• c: 20.178 ± 0.019 Å
• α: 90°
• β: 105.977 ± 0.006°
• γ: 90°
• Cell volume: 2525 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No