Information card for entry 7114359

Structure parameters

• Formula: C40 H58 Cu5 N8 O20 S2
• Calculated formula: C40 H58 Cu5 N8 O20 S2
• SMILES: c12ccccc2[N](C)(C)[Cu]23([N]4=C1O[Cu]15[O]4[Cu]46[O]7[N]8=C(c9c(cccc9)[N](C)(C)[Cu]98(OC(=[N]1[O]49)c1c([N]5(C)C)cccc1)[OH]C)O[Cu]17[N](c4c(cccc4)C(=[N]1[O]26)O3)(C)C)[OH]C.O=S(=O)(O)[O-].CO.[O-]S(=O)(=O)O.CO
• Title of publication: Synthesis and structure of a heptanuclear nickel(ii) complex uniquely exhibiting four distinct binding modes, two of which are novel, for a hydroxamate ligand
• Authors of publication: Gaynor, Declan; Starikova, Zoya A.; Ostrovsky, Sergei; Haase, Wolfgang; Nolan, Kevin B.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 506 - 507
• a: 11.002 ± 0.004 Å
• b: 11.393 ± 0.004 Å
• c: 11.863 ± 0.004 Å
• α: 81.989 ± 0.007°
• β: 64.844 ± 0.006°
• γ: 68.106 ± 0.006°
• Cell volume: 1248.5 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0537
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No