Information card for entry 8101711

Structure parameters

• Chemical name: bis(tetrabutylammonium) tetradecabromohexamolybdate
• Formula: C32 H72 Br14 Mo6 N2
• Calculated formula: C32 H72 Br14 Mo6 N2
• Title of publication: Crystal structure of bis(tetrabutylammonium) tetradecabromohexamolybdate, [(C~4~H~9~)~4~N]~2~[Mo~6~Br~14~], at 100 K and 293 K
• Authors of publication: K. Kirakci; S. Cordier; T. Roisnel; S. Golhen; C. Perrin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 116 - 118
• a: 13.211 ± 0.0002 Å
• b: 11.853 ± 0.0002 Å
• c: 18.928 ± 0.0004 Å
• α: 90°
• β: 90.843 ± 0.001°
• γ: 90°
• Cell volume: 2963.61 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0972
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No