Information card for entry 7033777

Structure parameters

• Formula: C24 H33 Cl2 N9 Zn
• Calculated formula: C24 H33 Cl2 N9 Zn
• SMILES: [Zn]1(Cl)(Cl)[N](c2cc3nc4ccccc4nc3cc2[N]1=C(N(C)C)N(C)C)=C(N(C)C)N(C)C.N#CC
• 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: 10.558 ± 0.002 Å
• b: 23.182 ± 0.005 Å
• c: 22.678 ± 0.005 Å
• α: 90°
• β: 90.44 ± 0.03°
• γ: 90°
• Cell volume: 5550 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.05
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No