Information card for entry 7004143

Structure parameters

• Formula: C49 H70 Cl3 N11 Ni2 O20
• Calculated formula: C49 H70 Cl3 N11 Ni2 O20
• Title of publication: Dinickel complexes of disubstituted benzoate polydentate ligands: mimics for the active site of urease
• Authors of publication: Lee, Way-Zen; Tseng, Huan-Sheng; Ku, Meng-Yu; Kuo, Ting-Shen
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2538 - 2541
• a: 13.4365 ± 0.0003 Å
• b: 34.4541 ± 0.0008 Å
• c: 14.4644 ± 0.0004 Å
• α: 90°
• β: 97.167 ± 0.001°
• γ: 90°
• Cell volume: 6643.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0921
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No