Information card for entry 7016998

Structure parameters

• Formula: C44 H60 Cl4 Co4 N8 O8
• Calculated formula: C44 H60 Cl4 Co4 N8 O8
• SMILES: C1[O]23[Co]4([OH]CCC)(Cl)([n]5c6c(cccc6)[nH]c15)[O]15Cc6[n](c7c(cccc7)[nH]6)[Co]21([OH]CCC)(Cl)[O]12Cc6[n](c7c(cccc7)[nH]6)[Co]31([O]14Cc3[n](c4c(cccc4)[nH]3)[Co]521([OH]CCC)Cl)([OH]CCC)Cl
• 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: 17.4477 ± 0.0008 Å
• b: 17.4477 ± 0.0008 Å
• c: 17.2562 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5253.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No