Information card for entry 4062052

Structure parameters

• Common name: (eta-2-NCNMe2)Mo(N[tBu]Ar)3
• Formula: C39 H60 Mo N5
• Calculated formula: C39 H60 Mo N5
• SMILES: [Mo]1(N(C(C)(C)C)c2cc(cc(c2)C)C)(N(c2cc(cc(c2)C)C)C(C)(C)C)(N(c2cc(cc(c2)C)C)C(C)(C)C)N=C1N(C)C
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 12.9183 ± 0.0013 Å
• b: 19.099 ± 0.002 Å
• c: 15.748 ± 0.002 Å
• α: 90°
• β: 95.313 ± 0.002°
• γ: 90°
• Cell volume: 3868.7 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• 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: 0.075
• Weighted residual factors for significantly intense reflections: 0.1481
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No