Information card for entry 4086317

Structure parameters

• Formula: C72 H66 Cr2 O4
• Calculated formula: C70 H99 Cr2 O4
• Title of publication: Catalytic Formation of Asymmetric Carbodiimides at Mononuclear Chromium(II/IV) Bis(alkoxide) Complexes
• Authors of publication: Yousif, Maryam; Tjapkes, Daniel J.; Lord, Richard L.; Groysman, Stanislav
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5119
• a: 11.2537 ± 0.0007 Å
• b: 15.769 ± 0.001 Å
• c: 18.3056 ± 0.001 Å
• α: 92.83 ± 0.002°
• β: 103.028 ± 0.002°
• γ: 97.627 ± 0.002°
• Cell volume: 3126.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No