Information card for entry 1562313

Structure parameters

• Formula: C38 H42 Co2 N8 Na2 O14
• Calculated formula: C38 H42 Co2 N8 Na2 O14
• SMILES: C1=[O][Co]23([O]4c5c(cccc5[O]5C)C=[O]2)([N]2(=N#N)[Co]67([N]38=N#N)([O]3c9c(cccc9[O]9C)C=[O]6)[O]6c%10c(cccc%10[O]([Na]4568[O]=CN(C)C)C)C=[O]7)[O]4c5c1cccc5[O](C)[Na]2349([O]=CN(C)C)
• 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: 10.897 ± 0.0005 Å
• b: 10.8099 ± 0.0005 Å
• c: 19.2672 ± 0.0008 Å
• α: 90°
• β: 103.146 ± 0.001°
• γ: 90°
• Cell volume: 2210.11 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No