Information card for entry 4308595

Structure parameters

• Formula: C30 H66 B2 Cl2 F8 N6 Ni3 O3 S6 Zn2
• Calculated formula: C30 H66 B2 Cl2 F8 N6 Ni3 O3 S6 Zn2
• Title of publication: N2S2Ni Metallodithiolate Complexes as Ligands: Structural and Aqueous Solution Quantitative Studies of the Ability of Metal Ions to Form M-S-Ni Bridges to Mercapto Groups Coordinated to Nickel(II). Implications for Acetyl Coenzyme A Synthase
• Authors of publication: Melissa L. Golden; Curtis M. Whaley; Marilyn V. Rampersad; Joseph H. Reibenspies; Robert D. Hancock; Marcetta Y. Darensbourg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 875 - 883
• a: 11.715 ± 0.002 Å
• b: 13.992 ± 0.003 Å
• c: 17.51 ± 0.004 Å
• α: 100.72 ± 0.004°
• β: 105.571 ± 0.003°
• γ: 110.265 ± 0.003°
• Cell volume: 2467 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No