Information card for entry 7031556

Structure parameters

• Formula: C16 H37 Cr N3 S
• Calculated formula: C16 H37 Cr N3 S
• SMILES: [Cr](N(C(C)C)C(C)C)(N(C(C)C)C(C)C)(#N)SC(C)(C)C
• 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: 9.9625 ± 0.0008 Å
• b: 10.7349 ± 0.0009 Å
• c: 19.7412 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2111.3 ± 0.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No