Information card for entry 7019405

Structure parameters

• Formula: C49 H57 Ni P Sn2
• Calculated formula: C49 H57 Ni P Sn2
• SMILES: [Ni]12([P](C(C)C)(C(C)C)C(C)C)([CH]([Sn](c3ccccc3)(c3ccccc3)c3ccccc3)=[CH2]1)[CH]([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)=[CH2]2
• Title of publication: A mechanistic investigation of carbon-hydrogen bond stannylation: synthesis and characterization of nickel catalysts.
• Authors of publication: Johnson, Samuel A.; Doster, Meghan E.; Matthews, Jacob; Shoshani, Manar; Thibodeau, Michelle; Labadie, Amanda; Hatnean, Jillian A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8135 - 8143
• a: 9.624 ± 0.0012 Å
• b: 44.359 ± 0.006 Å
• c: 11.7793 ± 0.0011 Å
• α: 90°
• β: 114.822 ± 0.008°
• γ: 90°
• Cell volume: 4564.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0735
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No