Information card for entry 7100615

Structure parameters

• Common name: NiL
• Formula: C19 H20 N2 Ni S2
• Calculated formula: C19 H20 N2 Ni S2
• SMILES: [Ni]123Sc4c(cccc4)C=[N]2CC(C)(C)C[N]3=Cc2c(S1)cccc2
• Title of publication: Formation of [(L)Ni(μ2-S)x{Fe(CO)3}x] adducts (x = 1 or 2): analogues of the active site of [NiFe] hydrogenase
• Authors of publication: Stenson, Philip A.; Marin-Becerra, Armando; Wilson, Claire; Blake, Alexander J.; McMaster, Jonathan; Schröder, Martin
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 3
• Pages of publication: 317 - 319
• a: 8.57 ± 0.002 Å
• b: 9.057 ± 0.002 Å
• c: 11.767 ± 0.003 Å
• α: 76.164 ± 0.003°
• β: 87.506 ± 0.003°
• γ: 89.673 ± 0.003°
• Cell volume: 886 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No