Information card for entry 7001865

Structure parameters

• Common name: (Co2IICo2III(HL)2(CH3O)2(N3)2(CH3OH)2)(5)
• Formula: C30 H46 Co4 N12 O16
• Calculated formula: C30 H46 Co4 N12 O16
• SMILES: C1C[N]2[Co]345(N=N#N)[O]1[Co]167([N](=Cc8c9c(C=[N]%10CC[O]%11[Co]%10(N=N#N)([O]19)([O]47C)[O]5(C)[Co]14%11([N](=Cc5c(c(C=2)cc(c5)C)[O]31)CC[OH]4)[OH]C)cc(c8)C)CC[OH]6)[OH]C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Self-assembly of mixed-valence Co(ii/iii) and Ni(ii) clusters: azide-bridged 1D single chain coordination polymers comprised of tetranuclear units, tetranuclear Co(ii/iii) complexes, ferromagnetically coupled azide-bridged tetranuclear, and hexanuclear Ni(ii) complexes: synthesis, structural, and magnetic properties
• Authors of publication: Tandon, Santokh S.; Bunge, Scott D.; Rakosi, Robert; Xu, Zhiqiang; Thompson, Laurence K.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 33
• Pages of publication: 6536 - 6551
• a: 7.468 ± 0.003 Å
• b: 20.48 ± 0.008 Å
• c: 13.609 ± 0.005 Å
• α: 90°
• β: 92.424 ± 0.007°
• γ: 90°
• Cell volume: 2079.6 ± 1.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No