Information card for entry 4503718

Structure parameters

• Formula: C18 H18 Cd Cl2 N8 O
• Calculated formula: C18 H18 Cd Cl2 N8 O
• SMILES: [Cd](Cl)(Cl)([n]1c(N=Nc2ccccc2)[nH]cc1)[n]1c(N=Nc2ccccc2)[nH]cc1.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: 8.3278 ± 0.0002 Å
• b: 19.3123 ± 0.0003 Å
• c: 14.0265 ± 0.0003 Å
• α: 90°
• β: 94.451 ± 0.001°
• γ: 90°
• Cell volume: 2249.06 ± 0.08 ų
• Cell temperature: 273 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No