Information card for entry 2006309

Structure parameters

• Chemical name: trans-Bis(tributylphosphine-1κP)-tetra(benzyl-1κC)-octa- μ3-chloro-octahedro-hexamolybdenum(12 Mo-Mo)
• Formula: C52 H82 Cl8 Mo6 P2
• Calculated formula: C52 H82 Cl8 Mo6 P2
• Title of publication: <i>trans</i>-[(Mo~6~Cl~8~)(C~7~H~7~)~4~{P(<i>n</i>-C~4~H~9~)~3~}~2~] and <i>trans</i>-[(Mo~6~Cl~8~)(C~8~H~5~)~4~{P(<i>n</i>-C~5~H~11~)~3~}~2~].2C~7~H~8~
• Authors of publication: Yamagata, Tsuneaki; Okiyama, Hiroshi; Imoto, Hideo; Saito, Taro
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 859 - 862
• a: 10.033 ± 0.009 Å
• b: 20.54 ± 0.018 Å
• c: 15.464 ± 0.017 Å
• α: 90°
• β: 94.14 ± 0.07°
• γ: 90°
• Cell volume: 3178 ± 5 ų
• Cell temperature: 294 ± 1 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 significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.0452
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo_Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No