Information card for entry 4314944

Structure parameters

• Formula: C32 H72 Br11 Mo3 N2
• Calculated formula: C32 H72 Br11 Mo3 N2
• Title of publication: Isolation, Characterization, and Computational Studies of the Novel [Mo3(μ3-Br)2(μ-Br)3Br6]2- Cluster Anion
• Authors of publication: Patrina Paraskevopoulou; Christodoulos Makedonas; Nikolaos Psaroudakis; Christiana A. Mitsopoulou; Georgios Floros; Andriana Seressioti; Marinos Ioannou; Yiannis Sanakis; Nigam Rath; Carlos J. Gómez García; Pericles Stavropoulos; Konstantinos Mertis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2068 - 2076
• a: 20.077 ± 0.002 Å
• b: 11.8638 ± 0.0011 Å
• c: 22.521 ± 0.002 Å
• α: 90°
• β: 109.348 ± 0.004°
• γ: 90°
• Cell volume: 5061.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No