Information card for entry 7701312

Structure parameters

• Formula: C65 H137 In K5 N5 Ni2 O30 Sn18
• Calculated formula: C65 H137 In K5 N5 Ni2 O30 Sn18
• Title of publication: Structural isomerism in the [(Ni@Sn₉)In(Ni@Sn₉)]^5- Zintl ion.
• Authors of publication: Zhang, Chao; Morgan, Harry W. T.; Wang, Zi-Chuan; Liu, Chao; Sun, Zhong-Ming; McGrady, John E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 42
• Pages of publication: 15888 - 15895
• a: 20.016 ± 0.004 Å
• b: 15.269 ± 0.003 Å
• c: 42.228 ± 0.007 Å
• α: 90°
• β: 105.883 ± 0.008°
• γ: 90°
• Cell volume: 12413 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1742
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No