Information card for entry 7001863

Structure parameters

• Common name: (Co2IICo2III (HL)2(OMe)2(N3)4)(3)
• Formula: C29 H44 Co4 N16 O11
• Calculated formula: C29 H40 Co4 N16 O11
• SMILES: [Co]1234(N=N#N)[N]5=Cc6c7[O]1[Co]18(N=N#N)([N](=Cc7cc(c6)C)CCO1)[O]1[Co]67(N=N#N)([N](=Cc9c%10[O]6[Co]6(N=N#N)([N](=Cc%10cc(c9)C)CCO6)([O]2CC5)[O]37C)CC1)[O]48C.OC.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: 11.6451 ± 0.001 Å
• b: 11.8912 ± 0.0011 Å
• c: 15.692 ± 0.0014 Å
• α: 83.769 ± 0.002°
• β: 86.914 ± 0.002°
• γ: 74.582 ± 0.001°
• Cell volume: 2081.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0937
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2524
• Weighted residual factors for all reflections included in the refinement: 0.2729
• Goodness-of-fit parameter for all reflections included in the refinement: 2.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No