Information card for entry 7017312

Structure parameters

• Formula: C114 H160 N12 Ni8 O36
• Calculated formula: C114 H148 N12 Ni8 O36
• SMILES: [N]1(C)(C)C[C@H](C)O[Ni]2341[O]1[Ni]5678[O]9C(c%10c(C)ccc(C(C)C)c%10[O]2[Ni]19([N]#CC)([O]=C(O3)c1c(ccc(c1O)C(C)C)C)OC(c1c(c(ccc1C)C(C)C)O)=[O]5)=[O][Ni]123([N]#CC)[O]7[Ni]5([N]#CC)([O]=C(c7c(c(ccc7C)C(C)C)[O-])O8)([O]=[N]6O4)[O]2[Ni]246([O]=C(O3)c3c(c(ccc3C)C(C)C)[O-])[O]3[Ni]78([N]#CC)([O]=C(O6)c6c(O)c(ccc6C)C(C)C)[O]4C(=[O]5)c4c(C)ccc(C(C)C)c4[O]8[Ni]43([N](C[C@@H](O4)C)(C)C)([O]=C(O7)c3c(ccc(c3O)C(C)C)C)[O]=[N]2O1.C(#N)C.CC#N.O.C(#N)C.CC#N.O
• 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: 16.345 ± 0.003 Å
• b: 24.453 ± 0.005 Å
• c: 17.148 ± 0.003 Å
• α: 90°
• β: 103.52 ± 0.03°
• γ: 90°
• Cell volume: 6664 ± 2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1609
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No