Information card for entry 1566976

Structure parameters

• Formula: C101 H175 As8 K3 N10 Nb O18 Zn4
• Calculated formula: C101 H175 As8 K3 N10 Nb O18 Zn4
• Title of publication: Synthesis and characterisation of the ternary intermetalloid clusters {M@[As₈(ZnMes)₄]}^3- (M = Nb, Ta) from binary [M@As₈]^3- precursors.
• Authors of publication: Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6744 - 6748
• a: 16.9909 ± 0.0002 Å
• b: 33.0617 ± 0.0004 Å
• c: 22.675 ± 0.0002 Å
• α: 90°
• β: 104.519 ± 0.001°
• γ: 90°
• Cell volume: 12330.9 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No