Information card for entry 7032684

Structure parameters

• Formula: C60 H100 N4 Ni4 O22
• Calculated formula: C60 H100 N4 Ni4 O22
• SMILES: O1[Ni]234([O]=C(C(C)(C)C)O)[O]5(NC(c6ccccc6)=[O]2)[Ni]2([O]67NC(c8ccccc8)=[O][Ni]87([O]=C(C(C)(C)C)O[Ni]56([O]=C(O8)C(C)(C)C)([O]=C(O4)C(C)(C)C)[O]=CN(C)C)([O]=C(O2)C(C)(C)C)[O]=C(C(C)(C)C)O)([O]=C1C(C)(C)C)(OC(=[O]3)C(C)(C)C)[O]=CN(C)C
• Title of publication: Synthesis, structure and magnetic properties of phenylhydroxamate-based coordination clusters.
• Authors of publication: Tirfoin, Rémi; Chamoreau, Lise-Marie; Li, Yanling; Fleury, Benoit; Lisnard, Laurent; Journaux, Yves
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16805 - 16817
• a: 11.8753 ± 0.0004 Å
• b: 13.2048 ± 0.0004 Å
• c: 13.8854 ± 0.0005 Å
• α: 62.403 ± 0.001°
• β: 82.791 ± 0.001°
• γ: 69.928 ± 0.001°
• Cell volume: 1810.99 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No