Information card for entry 4086323

Structure parameters

• Formula: C66 H82 Cr N4 O2
• Calculated formula: C66 H82 Cr N4 O2
• SMILES: [N](#C[Cr](C#[N]c1c(C)cccc1C)(C#[N]c1c(cccc1C)C)(OC(c1ccccc1)(C(C)(C)C)C(C)(C)C)(C#[N]c1c(cccc1C)C)OC(C(C)(C)C)(c1ccccc1)C(C)(C)C)c1c(C)cccc1C
• 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: 11.411 ± 0.002 Å
• b: 11.8024 ± 0.0018 Å
• c: 21.695 ± 0.004 Å
• α: 93.822 ± 0.005°
• β: 99.414 ± 0.006°
• γ: 102.134 ± 0.006°
• Cell volume: 2802.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1706
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No