Information card for entry 4317768

Structure parameters

• Formula: C10 H24 I2 N2 Ni S2
• Calculated formula: C10 H24 I2 N2 Ni S2
• Title of publication: Unique Reactivity of a Tetradentate N2S2 Complex of Nickel: Intermediates in the Production of Sulfur Oxygenates
• Authors of publication: Vincent E. Kaasjager; Elisabeth Bouwman; S. Gorter; Jan Reedijk; Craig A. Grapperhaus; Joseph H. Reibenspies; Jason J. Smee; Marcetta Y. Darensbourg; Agnes Derecskei-Kovacs; Lisa M. Thomson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1837 - 1844
• a: 8.865 ± 0.003 Å
• b: 14.419 ± 0.004 Å
• c: 14.389 ± 0.006 Å
• α: 90°
• β: 100.19 ± 0.03°
• γ: 90°
• Cell volume: 1810.3 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No