Information card for entry 7033780

Structure parameters

• Formula: C68.7 H113.4 Cl19.4 N28 Zn5
• Calculated formula: C68.7 H113.4 Cl19.4 N28 Zn5
• Title of publication: Tetraguanidino-functionalized phenazine and fluorene dyes: synthesis, optical properties and metal coordination.
• Authors of publication: Bindewald, Elvira; Lorenz, Roxana; Hübner, Olaf; Brox, Dominik; Herten, Dirk-Peter; Kaifer, Elisabeth; Himmel, Hans-Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3467 - 3485
• a: 17.629 ± 0.004 Å
• b: 18.298 ± 0.004 Å
• c: 18.587 ± 0.004 Å
• α: 90.87 ± 0.03°
• β: 104.98 ± 0.03°
• γ: 108.66 ± 0.03°
• Cell volume: 5456 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0849
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No