Information card for entry 4503717

Structure parameters

• Formula: C18 H16 Cl2 N8 Ru
• Calculated formula: C18 H16 Cl2 N8 Ru
• SMILES: c1(ccccc1)[N]1[Ru]2([n]3c([nH]cc3)N=1)(Cl)([n]1c([nH]cc1)N=[N]2c1ccccc1)Cl
• 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: 7.7501 ± 0.0001 Å
• b: 11.9552 ± 0.0002 Å
• c: 21.5104 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1993.02 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No