Information card for entry 7033073

Structure parameters

• Formula: C50 H54 Cl6 N4 Ni2 O8
• Calculated formula: C50 H54 Cl6 N4 Ni2 O8
• SMILES: C12=[N](c3ccc(cc3)OCC)[Ni]3(N(C1=CC1C(=C2)N([Ni]2([N]=1c1ccc(cc1)OCC)OC(=CC(=[O]2)C)C)c1ccc(OCC)cc1)c1ccc(OCC)cc1)OC(=CC(=[O]3)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 10.747 ± 0.002 Å
• b: 11.215 ± 0.002 Å
• c: 12.347 ± 0.003 Å
• α: 103.63 ± 0.03°
• β: 109.84 ± 0.03°
• γ: 91.01 ± 0.03°
• Cell volume: 1352.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No