Information card for entry 7214830

Structure parameters

• Formula: C70 H112 Cl2 Cu8 N22 O28 S6
• Calculated formula: C69.996 H112 Cl2 Cu8 N21.996 O28 S5.996
• Title of publication: Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism
• Authors of publication: Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7312
• a: 27.539 ± 0.0009 Å
• b: 27.539 ± 0.0009 Å
• c: 13.4753 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10219.6 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2194
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No