Information card for entry 4100215

Structure parameters

• Common name: [Me3NN]Ni-NHAd
• Formula: C33 H45 N3 Ni
• Calculated formula: C33 H45 N3 Ni
• SMILES: [Ni]1(N(c2c(C)cc(cc2C)C)C(=CC(=[N]1c1c(C)cc(cc1C)C)C)C)NC12CC3CC(C1)CC(C2)C3
• Authors of publication: Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.; Warren, T. H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 25.992 ± 0.006 Å
• b: 25.992 ± 0.006 Å
• c: 10.506 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7098 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No