Information card for entry 4327644

Structure parameters

• Formula: C22 H38 Cl2 N2 Ni O8 S4
• Calculated formula: C22 H38 Cl2 N2 Ni O8 S4
• Title of publication: Formation and Dissociation Kinetics and Crystal Structures of Nickel(II)-Macrocyclic Tetrathiaether Complexes in Acetonitrile. Comparison to Nickel(II)-Macrocyclic Tetramines
• Authors of publication: Chandrika P. Kulatilleke; Scott N. Goldie; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1444 - 1453
• a: 9.603 ± 0.002 Å
• b: 14.304 ± 0.003 Å
• c: 11.774 ± 0.002 Å
• α: 90°
• β: 105.48 ± 0.03°
• γ: 90°
• Cell volume: 1558.6 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections: 0.1761
• Weighted residual factors for significantly intense reflections: 0.1627
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No