Information card for entry 2100796

Structure parameters

• Formula: C9 H6 Mo O3
• Calculated formula: C9 H6 Mo O3
• Title of publication: Structure of (η^6^-C~6~H~6~)Mo(CO)~3~ at room temperature and 120 K: motion about equilibrium and far from equilibrium
• Authors of publication: Bürgi, H.-B.; Raselli, A.; Braga, D.; Grepioni, F.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 428 - 437
• a: 6.028 ± 0.001 Å
• b: 11.001 ± 0.002 Å
• c: 6.763 ± 0.001 Å
• α: 90°
• β: 100.79 ± 0.01°
• γ: 90°
• Cell volume: 440.55 ± 0.13 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No