Information card for entry 7015483

Structure parameters

• Formula: C62.5 H42 Cl2 N6 Zn
• Calculated formula: C62 H41 Cl N6 Zn
• SMILES: c12c3ccccc3c(c3ccccc3)n1[Zn]1([n]3c(c4ccccc4c3c3ccccc3)=N2)[n]2c(c3ccccc3c2c2ccccc2)=Nc2c3ccccc3c(c3ccccc3)n12.c1(ccccc1)Cl
• Title of publication: Homoleptic Co(II), Ni(II), Cu(II), Zn(II) and Hg(II) complexes of bis-(phenyl)-diisoindol-aza-methene.
• Authors of publication: Gresser, Roland; Hoyer, Alexander; Hummert, Markus; Hartmann, Horst; Leo, Karl; Riede, Moritz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3476 - 3483
• a: 13.239 ± 0.005 Å
• b: 13.699 ± 0.005 Å
• c: 16.251 ± 0.005 Å
• α: 72.13 ± 0.005°
• β: 68.38 ± 0.005°
• γ: 68.57 ± 0.005°
• Cell volume: 2499.5 ± 1.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0807
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No