Information card for entry 7120386

Structure parameters

• Formula: C32 H235 K11 Mo40 N2 O212 S36 Se8
• Calculated formula: C29.6 K9.7 Mo40 N1.4 O196.3 S36 Se8
• Title of publication: Exploring Structural Complexity in the Discovery and Self-Assembly of a Family of Nanoscale Chalcoxides from {Se8Mo36} to {Se26Mo68}
• Authors of publication: Cronin, Lee; Zang, Hong-Ying; Purcell, Jamie; Long, Deliang; Miras, Haralampos N.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 23.8487 ± 0.0009 Å
• b: 37.2576 ± 0.0013 Å
• c: 37.8116 ± 0.0015 Å
• α: 71.584 ± 0.002°
• β: 87.821 ± 0.002°
• γ: 77.766 ± 0.002°
• Cell volume: 31138 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.21
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2203
• Weighted residual factors for all reflections included in the refinement: 0.3021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No