Information card for entry 7207874

Structure parameters

• Formula: C40 H36 N12 Ni4 O24
• Calculated formula: C40 H36 N12 Ni4 O24
• Title of publication: Spontaneous resolution of a homochiral helix built from a tetra-nuclear nickel cluster
• Authors of publication: Zheng, Wenxu; Wei, Yongqin; Tian, Chong-bin; Xiao, Xueying; Wu, Kechen
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3347
• a: 11.4952 ± 0.0005 Å
• b: 14.4352 ± 0.0005 Å
• c: 28.9218 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4799.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No