Information card for entry 7701311

Structure parameters

• Formula: C185 H372 In2 K10 N22 Ni4 O62 Sn36
• Calculated formula: C185 H372 In2 K10 N22 Ni4 O62 Sn36
• 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: 14.3638 ± 0.0017 Å
• b: 23.353 ± 0.003 Å
• c: 25.857 ± 0.003 Å
• α: 67.719 ± 0.002°
• β: 74.38 ± 0.002°
• γ: 75.977 ± 0.002°
• Cell volume: 7633.1 ± 1.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2236
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No