Information card for entry 7219705

Structure parameters

• Common name: [Co27(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(CO3)0.25(SO3)0.75Cl10(OH)2(CH3OH)2(H2O)4]
• Formula: C284.25 H322 Cl34 Co27 N48 O37 S40.75
• Calculated formula: C274.25 H286 Cl10 Co27 N48 O35 S40.75
• 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: 37.682 ± 0.003 Å
• b: 45.19 ± 0.003 Å
• c: 24.565 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41830 ± 5 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2606
• Weighted residual factors for all reflections included in the refinement: 0.2744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No