Information card for entry 7001864

Structure parameters

• Common name: (Co2IICo2III(HL)2(CH3O)2(N3)2(CH3CO2)2)(4)
• Formula: C34 H56 Co4 N10 O16
• Calculated formula: C34 H56 Co4 N10 O16
• SMILES: C(C[N]1=Cc2cc(C)cc3c2[O]2[Co]456([N](=C3)CC[O]4[Co]347([O]5(C)[Co]589([N](=Cc%10cc(cc(C=[N]3CCO)c%10[O]48)C)CC[O]5[Co]312([O]=C(O3)C)[O]69C)N=N#N)[O]=C(O7)C)N=N#N)O.OC.O.OC.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: 10.8017 ± 0.0016 Å
• b: 21.477 ± 0.003 Å
• c: 9.6371 ± 0.0015 Å
• α: 90°
• β: 106.372 ± 0.003°
• γ: 90°
• Cell volume: 2145 ± 0.6 ų
• Cell temperature: 100 ± 2 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: 0.0507
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No