Information card for entry 4312286

Structure parameters

• Formula: C38 H36 B Cl F4 N3 P Ru
• Calculated formula: C38 H36 B Cl F4 N3 P Ru
• SMILES: [Ru]12345(Cl)([P](c6ccccc6)(c6ccccc6)c6ccccc6)([n]6cn(cc6)c6ccc(cc6)C#N)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C.[B](F)(F)(F)[F-]
• 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: 12.648 ± 0.0009 Å
• b: 15.483 ± 0.0008 Å
• c: 18.528 ± 0.0017 Å
• α: 90 ± 0.006°
• β: 102.173 ± 0.006°
• γ: 90 ± 0.005°
• Cell volume: 3546.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No