Information card for entry 7010699

Structure parameters

• Formula: C33 H30 Cl2 Mo N2 O10 P
• Calculated formula: C33 H30 Cl2 Mo N2 O10 P
• SMILES: [Mo]123456(OC(=O)C[N]5(O1)CC(=O)O2)OC(=O)C[N]6(O3)CC(=O)O4.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: New molybdenum(v) analogues of Amavadin and their redox properties
• Authors of publication: Smith, Paul D.; Cooney, J. Jon A.; McInnes, Eric J. L.; Beddoes, Roy L.; Collison, David; Harben, Spencer M.; Helliwell, Madeleine; Mabbs, Frank E.; Mandel, Alexander; Powell, Annie K.; Garner, C. David
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 3108
• a: 7.956 ± 0.01 Å
• b: 28.043 ± 0.006 Å
• c: 15.47 ± 0.01 Å
• α: 90°
• β: 91.54 ± 0.08°
• γ: 90°
• Cell volume: 3450 ± 5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.1297
• Goodness-of-fit parameter for significantly intense reflections: 3.581
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No