Information card for entry 4062054

Structure parameters

• Common name: [(AnthCN)Mo(N[iPr]Ar)3]2
• Formula: C192 H228 Mo4 N16
• Calculated formula: C192 H228 Mo4 N16
• SMILES: [Mo](N(C(C)C)c1cc(C)cc(c1)C)(N(c1cc(cc(c1)C)C)C(C)C)(N=C=C1c2c(cccc2)C(C(c2c3c(cccc3)cc3c2cccc3)=N[Mo](N(c2cc(cc(c2)C)C)C(C)C)(N(c2cc(cc(c2)C)C)C(C)C)N(C(C)C)c2cc(cc(c2)C)C)c2ccccc12)N(c1cc(cc(c1)C)C)C(C)C
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 18.6762 ± 0.0002 Å
• b: 21.6349 ± 0.0001 Å
• c: 21.8544 ± 0.0003 Å
• α: 85.142 ± 0.001°
• β: 85.377 ± 0.001°
• γ: 76.658 ± 0.001°
• Cell volume: 8544.2 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1661
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No