Information card for entry 7244017

Structure parameters

• Formula: C32 H72 Br14 Mo6 N2
• Calculated formula: C32 H72 Br14 Mo6 N2
• Title of publication: Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]
• Authors of publication: Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 465 - 470
• a: 13.0071 ± 0.001 Å
• b: 11.6664 ± 0.0009 Å
• c: 19.0278 ± 0.0014 Å
• α: 90°
• β: 90.481 ± 0.003°
• γ: 90°
• Cell volume: 2887.3 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0792
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No