Information card for entry 7100613

Structure parameters

• Common name: NiLFe(CO)3
• Formula: C32.5 H32 Fe N2 Ni O3 S2
• Calculated formula: C32.5 H31.5 Fe N2 Ni O3 S2
• 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: 12.245 ± 0.002 Å
• b: 15.779 ± 0.002 Å
• c: 16.87 ± 0.002 Å
• α: 90°
• β: 106.888 ± 0.002°
• γ: 90°
• Cell volume: 3118.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No