Information card for entry 7244018

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: 13.1355 ± 0.0004 Å
• b: 11.7629 ± 0.0003 Å
• c: 18.9747 ± 0.0006 Å
• α: 90°
• β: 90.737 ± 0.001°
• γ: 90°
• Cell volume: 2931.57 ± 0.15 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No