Information card for entry 7033074

Structure parameters

• Formula: C48 H52 N4 Ni2 O8
• Calculated formula: C48 H52 N4 Ni2 O8
• SMILES: c12c(cc3c(c1)N([Ni]1(N3c3c(cccc3)OCC)OC(=CC(=[O]1)C)C)c1c(cccc1)OCC)N(c1c(cccc1)OCC)[Ni]1(OC(=CC(=[O]1)C)C)N2c1c(cccc1)OCC
• 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: 13.7366 ± 0.0007 Å
• b: 11.945 ± 0.0006 Å
• c: 14.3878 ± 0.0007 Å
• α: 90°
• β: 108.08 ± 0.001°
• γ: 90°
• Cell volume: 2244.24 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No