Information card for entry 4301348

Structure parameters

• Formula: C23 H29 N2 Ni2 S4
• Calculated formula: C23 H29 N2 Ni2 S4
• Title of publication: Structural Models for the Active Site of Acetyl-CoA Synthase: Synthesis of Dinuclear Nickel Complexes Having Thiolate, Isocyanide, and Thiourea on the NipSite
• Authors of publication: Mikinao Ito; Mai Kotera; Yumei Song; Tsuyoshi Matsumoto; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1250 - 1256
• a: 10.426 ± 0.0014 Å
• b: 11.0774 ± 0.0016 Å
• c: 11.8118 ± 0.0019 Å
• α: 82.957 ± 0.007°
• β: 78.296 ± 0.006°
• γ: 71.586 ± 0.005°
• Cell volume: 1264.9 ± 0.3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No