Information card for entry 4080391

Structure parameters

• Chemical name: N,N'-bis(4-tolylsulfonyl)- 4,9-diazatrideca-1,6-diene-11-yne-dinickel-cycloocta-1,4-diene tetrahydrofuran solute
• Formula: C37 H50 N2 Ni2 O5 S2
• Calculated formula: C37 H50 N2 Ni2 O5 S2
• Title of publication: Nickel(0) Complexes of Acyclic Polyunsaturated Aza Ligands
• Authors of publication: Brun, Sandra; Torres, Óscar; Pla-Quintana, Anna; Roglans, Anna; Goddard, Richard; Pörschke, Klaus-Richard
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1710
• a: 19.161 ± 0.003 Å
• b: 11.114 ± 0.002 Å
• c: 18.851 ± 0.003 Å
• α: 90°
• β: 117.238 ± 0.003°
• γ: 90°
• Cell volume: 3569.3 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1068
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No