Information card for entry 7013119

Structure parameters

• Formula: C40 H66 Mo N4 O2
• Calculated formula: C40 H66 Mo N4 O2
• SMILES: [Mo]123(=NC(C)(C)C)(=NC(C)(C)C)[NH](CC[NH]1Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C
• Title of publication: The structural and electrochemical properties of new bis-imido transition metal salen complexes
• Authors of publication: Motevalli, Majid; Oduwole, A. Duro; Parkin, Bernardetta C.; Ramnauth, Ramkrishna; Sullivan, Alice C.; Kaltsoyannis, Nikolas
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 3591
• a: 10.7723 ± 0.0003 Å
• b: 14.2968 ± 0.0003 Å
• c: 14.0076 ± 0.0004 Å
• α: 65.273 ± 0.001°
• β: 84.677 ± 0.001°
• γ: 81.976 ± 0.001°
• Cell volume: 1938.9 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No