Information card for entry 7010700

Structure parameters

• Formula: C18 H24 Mo N2 Na O10
• Calculated formula: C36 H48 Mo N4 Na O20
• SMILES: C1(=O)O[Mo]23456(OC(=O)[C@@H](CC)[N]2([C@H](C(=O)O4)CC)O6)[N]([C@H](C(=O)O3)CC)([C@@H]1CC)O5.CCCC.[Na+]
• 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: 28.23 ± 0.01 Å
• b: 30.29 ± 0.01 Å
• c: 11.64 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9953 ± 10 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0532
• Goodness-of-fit parameter for all reflections: 1.644
• Goodness-of-fit parameter for significantly intense reflections: 1.944
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No