Information card for entry 4337685

Structure parameters

• Formula: C48 H66 Cl2 N6 Ni O11 S3
• Calculated formula: C48 H66 Cl2 N6 Ni O11 S3
• Title of publication: Strong Solvent-Dependent Preference of Δ and Λ Stereoisomers of a Tris(diamine)nickel(II) Complex Revealed by Vibrational Circular Dichroism Spectroscopy.
• Authors of publication: Merten, Christian; McDonald, Robert; Xu, Yunjie
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3177 - 3182
• a: 14.744 ± 0.0011 Å
• b: 14.744 ± 0.0011 Å
• c: 42.978 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8091.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No