Information card for entry 7017311

Structure parameters

• Formula: C40 H102 Ni9 O40
• Calculated formula: C40 H102 Ni9 O40
• SMILES: C[O]12[Ni]3456[O]7([Ni]81([O]=C(C)[O]4[Ni]14([O]9C(C)=[O][Ni]%10%11%12([O]%13(C)[Ni]9%14([O]%11(C)[Ni]9%11([O]%14(C)[Ni]%13([O]=C(O9)C)([O]%10%11C)([OH]C)[OH]C)([OH]C)[OH]C)([O]1C(=O)C)[O]=C(C)O4)[O]=C(C)O%12)([O]6C(=O)C)[O]=C(O5)C)([O]=C(C)O8)[O]1(C)[Ni]42([O]3(C)[Ni]71([O]=C(O4)C)([OH]C)[OH]C)([OH]C)[OH]C)C.CO.CO.CO.CO
• Title of publication: Microwave assisted synthesis and magnetic properties of octanuclear and enneanuclear Ni(ii) complexes: an unprecedented coordination mode for the NO(2)(-) ligand.
• Authors of publication: Pons-Balagué, Alba; Ioanidis, Nicoleta; Wernsdorfer, Wolfgang; Yamaguchi, Akira; Sañudo, E Carolina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11765 - 11769
• a: 11.0288 ± 0.0005 Å
• b: 12.1147 ± 0.0005 Å
• c: 14.1046 ± 0.0005 Å
• α: 85.585 ± 0.002°
• β: 80.224 ± 0.002°
• γ: 71.235 ± 0.003°
• Cell volume: 1757.94 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No