Information card for entry 7007418

Structure parameters

• Formula: C25 H27 Cl2 Mo N4 O3.5
• Calculated formula: C25 H27 Cl2 Mo N4 O3.5
• Title of publication: Oxidation-state and metal-ion dependent stereoisomerization in oxo molybdenum and tungsten complexes of a bulky alkoxy heteroscorpionate ligand.
• Authors of publication: Hoffman, Justin T.; Tran, Ba L.; Carrano, Carl J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 31
• Pages of publication: 3822 - 3830
• a: 9.5623 ± 0.0006 Å
• b: 29.6352 ± 0.0018 Å
• c: 9.4479 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2677.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 32
• Hermann-Mauguin space group symbol: P b a 2
• Hall space group symbol: P 2 -2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No