Information card for entry 4066454

Structure parameters

• Formula: C43 H41 Br2 Cl2 N4 Ni P3 S2
• Calculated formula: C43 H41 Br2 Cl2 N4 Ni P3 S2
• Title of publication: Reactions of a Phosphinoimino-thiazoline-Based Metalloligand with Organic and Inorganic Electrophiles and Metal-Induced Ligand Rearrangements
• Authors of publication: Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6660
• a: 14.105 ± 0.0005 Å
• b: 20.0528 ± 0.0004 Å
• c: 20.2434 ± 0.0005 Å
• α: 90°
• β: 128.553 ± 0.002°
• γ: 90°
• Cell volume: 4477.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0824
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No