Information card for entry 4312287

Structure parameters

• Formula: C22 H25 Cl2 N3 Ru
• Calculated formula: C22 H25 Cl2 N3 Ru
• SMILES: [Ru]12345(Cl)(Cl)([n]6cn(cc6)c6ccc(cc6)C#N)[c]6([c]1(C)[c]2([c]3(C)[c]4(C)[c]56C)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: 12.256 ± 0.0011 Å
• b: 12.832 ± 0.0013 Å
• c: 14.361 ± 0.002 Å
• α: 90 ± 0.01°
• β: 104.162 ± 0.009°
• γ: 90 ± 0.008°
• Cell volume: 2189.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0293
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No