Information card for entry 7114360

Structure parameters

• Formula: C90 H150 N20 Ni7 O45 S
• Calculated formula: C90 H150 N20 Ni7 O45 S
• SMILES: [Ni]1234([O](NC(=[O]1)c1c(N(C)C)cccc1)[Ni]156([O]2NC(=[O]1)c1c(N(C)C)cccc1)[O]12[Ni]7([O]=C(N42)c2c([N]3(C)C)cccc2)([O]23[Ni]41([O]15[Ni]58([O]=C(N1)c1c(N(C)C)cccc1)([O]([Ni]192([O]=C(N[O]9[Ni]29(N3C(=[O]4)c3c([N]2(C)C)cccc3)([O]1NC(=[O]9)c1c(N(C)C)cccc1)[OH2])c1c(N(C)C)cccc1)[O]75NC(=[O]8)c1c(N(C)C)cccc1)NC(=O)c1c(N(C)C)cccc1)[O]6NC(=O)c1c(N(C)C)cccc1)([OH2])[OH2])([OH2])[OH2])[OH2].S(=O)(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• 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: 16.398 ± 0.009 Å
• b: 23.996 ± 0.014 Å
• c: 30.666 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12067 ± 11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1878
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.644
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No