Information card for entry 2213972

Structure parameters

• Chemical name: Bis(<i>tert</i>-butyl-3-oxobutanoato)dipyridinenickel(II) benzene solvate
• Formula: C32 H42 N2 Ni O6
• Calculated formula: C32 H42 N2 Ni O6
• SMILES: C1(=CC(C)=[O][Ni]2(O1)([n]1ccccc1)([n]1ccccc1)[O]=C(C)C=C(O2)OC(C)(C)C)OC(C)(C)C.c1ccccc1
• Title of publication: Bis(<i>tert</i>-butyl-3-oxobutanoato)dipyridinenickel(II) benzene solvate
• Authors of publication: Susanta K. Nayak; Anirudha Jena; Gururaj M. Neelgund; S. A. Shivashankar; T. N. Guru Row
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1604 - m1604
• a: 8.3748 ± 0.0011 Å
• b: 8.8057 ± 0.0012 Å
• c: 12.5949 ± 0.0017 Å
• α: 99.205 ± 0.002°
• β: 93.504 ± 0.002°
• γ: 117.338 ± 0.002°
• Cell volume: 804.81 ± 0.19 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes