Information card for entry 4309666

Structure parameters

• Formula: C35 H35 Cl2 N5 O9 Zn
• Calculated formula: C35 H35 Cl2 N5 O9 Zn
• SMILES: [Zn]1234[O]=C(Nc5[n]1c(ccc5)C[N]2(Cc1[n]3c(ccc1)c1ccccc1)Cc1[n]4c(ccc1)c1ccccc1)C(C)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Chemistry of a Ni(II) Acetohydroxamic Acid Complex: Formation, Reactivity with Water, and Attempted Preparation of Zinc and Cobalt Analogues
• Authors of publication: Katarzyna Rudzka; Atta M. Arif; Lisa M. Berreau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7234 - 7242
• a: 11.1799 ± 0.0003 Å
• b: 11.8178 ± 0.0002 Å
• c: 14.6539 ± 0.0004 Å
• α: 86.8463 ± 0.0015°
• β: 70.8582 ± 0.0012°
• γ: 67.8369 ± 0.0013°
• Cell volume: 1688.68 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No