Information card for entry 7017000

Structure parameters

• Formula: C42 H48 Co4 N8 O14
• Calculated formula: C42 H48 Co4 N8 O14
• SMILES: C1c2[n](c3c(cccc3)[nH]2)[Co]234([O]51[Co]16([O]7(Cc8[n]1c1c([nH]8)cccc1)[Co]185([n]5c(C[O]41[Co]17([n]4c(C[O]361)[nH]c1ccccc41)([O]=CO8)[OH]CCC)[nH]c1ccccc51)OC=O)([O]=CO2)[OH]CCC)OC=O
• Title of publication: Anion induced diversification from heptanuclear to tetranuclear clusters: Syntheses, structures and magnetic properties.
• Authors of publication: Zhang, Shu-Hua; Ma, Lu-Fang; Zou, Hua-Hong; Wang, Yin Guang; Liang, Hong; Zeng, Ming Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11402 - 11409
• a: 18.347 ± 0.004 Å
• b: 19.007 ± 0.004 Å
• c: 16.286 ± 0.003 Å
• α: 90°
• β: 121.66 ± 0.03°
• γ: 90°
• Cell volume: 4834 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No