Information card for entry 1562312

Structure parameters

• Formula: C45 H64 Co3 N13 Na O10
• Calculated formula: C45 H64 Co3 N13 Na O10
• SMILES: c12c(cccc1C[N](C)(C)[Co]134([N]([Co]567([N]1([Co]1(N=N#N)([N](Cc8c(c(ccc8)[O]4CC)[O]31)(C)C)[O]6c1c(cccc1C[N]5(C)C)OCC)=N#N)Oc1c(cccc1C=[O]7)OCC)=N#N)O2)OCC.C(=O)N(C)C.[Na+]
• Title of publication: Structural variation from heterometallic cluster-based 1D chain to heterometallic tetranuclear cluster: Syntheses, structures and magnetic properties
• Authors of publication: Zhang, Shu-Hua; Zhao, Ru-Xia; Li, He-Ping; Ge, Cheng-Min; Li, Gui; Huang, Qiu-Ping; Zou, Hua-Hong
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 216
• Pages of publication: 30 - 35
• a: 11.3153 ± 0.0015 Å
• b: 12.529 ± 0.0017 Å
• c: 19.184 ± 0.003 Å
• α: 88.406 ± 0.002°
• β: 76.988 ± 0.002°
• γ: 84.482 ± 0.002°
• Cell volume: 2637.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1983
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No