Information card for entry 7031560

Structure parameters

• Formula: C18 H33 Cr N3 Se
• Calculated formula: C18 H33 Cr N3 Se
• SMILES: [Se]([Cr](N(C(C)C)C(C)C)(N(C(C)C)C(C)C)#N)c1ccccc1
• Title of publication: Effective donor abilities of E-t-Bu and EPh (E = O, S, Se, Te) to a high valent transition metal.
• Authors of publication: Bemowski, Ross D.; Singh, Amrendra K.; Bajorek, Bailey J.; DePorre, Yvonne; Odom, Aaron L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12299 - 12305
• a: 7.6213 ± 0.0006 Å
• b: 14.7207 ± 0.0011 Å
• c: 18.6479 ± 0.0014 Å
• α: 90°
• β: 90.931 ± 0.001°
• γ: 90°
• Cell volume: 2091.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No