Information card for entry 7023832

Structure parameters

• Formula: C38 H54 Cl8 N10 Ni2 S2
• Calculated formula: C38 H54 Cl8 N10 Ni2 S2
• Title of publication: Cross-coupling of alkyl halides with aryl or alkyl Grignards catalyzed by dinuclear Ni(II) complexes containing functionalized tripodal amine-pyrazolyl ligands.
• Authors of publication: Xue, Fei; Zhao, Jin; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 5150 - 5158
• a: 11.1367 ± 0.0016 Å
• b: 14.948 ± 0.002 Å
• c: 14.731 ± 0.002 Å
• α: 90°
• β: 95.788 ± 0.004°
• γ: 90°
• Cell volume: 2439.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No