Information card for entry 4503716

Structure parameters

• Formula: C18 H18 Cl2 N8 O Zn
• Calculated formula: C18 H18 Cl2 N8 O Zn
• SMILES: [Zn](Cl)([n]1c(N=Nc2ccccc2)[nH]cc1)([n]1c(N=Nc2ccccc2)[nH]cc1)Cl.O
• Title of publication: Molecular to Supramolecular Structure: Influence of Coordination Environment in Azo-dye Complexes
• Authors of publication: Pramanik, Avijit; Das, Gopal
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 3107
• a: 8.1606 ± 0.0002 Å
• b: 19.2921 ± 0.0005 Å
• c: 14.0277 ± 0.0005 Å
• α: 90°
• β: 94.785 ± 0.002°
• γ: 90°
• Cell volume: 2200.76 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No