Information card for entry 7033077

Structure parameters

• Formula: C38 H40 N4
• Calculated formula: C38 H40 N4
• SMILES: C1(Nc2ccccc2CC)C(C=C(C(C=1)=Nc1ccccc1CC)Nc1ccccc1CC)=Nc1ccccc1CC
• 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: 10.5962 ± 0.0006 Å
• b: 7.4665 ± 0.0004 Å
• c: 19.8942 ± 0.0011 Å
• α: 90°
• β: 90.365 ± 0.001°
• γ: 90°
• Cell volume: 1573.93 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.063
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No