Information card for entry 4312285

Structure parameters

• Formula: C20 H21 Cl2 N3 Ru
• Calculated formula: C20 H21 Cl2 N3 Ru
• SMILES: [Ru]12345(Cl)(Cl)([n]6cn(cc6)c6ccc(cc6)C#N)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• Title of publication: Luminescent Piano-Stool Complexes Incorporating 1-(4-Cyanophenyl)imidazole: Synthesis, Spectral, and Structural Studies
• Authors of publication: Sanjay K. Singh; Manoj Trivedi; M. Chandra; Abhaya N. Sahay; Daya Shankar Pandey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8600 - 8608
• a: 11.504 ± 0.002 Å
• b: 13.725 ± 0.0008 Å
• c: 13.217 ± 0.0014 Å
• α: 90 ± 0.007°
• β: 105.232 ± 0.013°
• γ: 90 ± 0.01°
• Cell volume: 2013.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0299
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No