Information card for entry 7033075

Structure parameters

• Formula: C56 H68 N4 Ni2 O4
• Calculated formula: C56 H68 N4 Ni2 O4
• SMILES: c12c(cc3c(c2)N(c2c(CC)cccc2CC)[Ni]2(OC(=CC(=[O]2)C)C)N3c2c(CC)cccc2CC)N([Ni]2(OC(=CC(=[O]2)C)C)N1c1c(CC)cccc1CC)c1c(CC)cccc1CC
• Title of publication: Dinuclear nickel(II) complexes with 2,5-diamino-1,4-benzoquinonediimine ligands as precatalysts for the polymerization of styrene: electronic and steric substituent effects.
• Authors of publication: Ohno, Keiji; Nagasawa, Akira; Fujihara, Takashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 368 - 376
• a: 8.428 ± 0.0008 Å
• b: 11.7109 ± 0.001 Å
• c: 13.9731 ± 0.0013 Å
• α: 113.575 ± 0.002°
• β: 91.422 ± 0.002°
• γ: 93.09 ± 0.002°
• Cell volume: 1260.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0943
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No