Information card for entry 7219704

Structure parameters

• Common name: [Co28(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(SO4)Cl10(OH)4(CH3OH)4(H2O)6]
• Formula: C283 H348 Cl10 Co28 N48 O49 S41
• Calculated formula: C276 H292 Cl10 Co28 N48 O42 S41
• Title of publication: Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges
• Authors of publication: Wang, Shentang; Bi, Yanfeng; Liao, Wuping
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 2896
• a: 20.9882 ± 0.0003 Å
• b: 43.6525 ± 0.0006 Å
• c: 24.5435 ± 0.0003 Å
• α: 90°
• β: 111.671 ± 0.001°
• γ: 90°
• Cell volume: 20897.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No