Information card for entry 4316181

Structure parameters

• Formula: C34 H21 F6 N8 P Ru
• Calculated formula: C34 H21 F6 N8 P Ru
• SMILES: [Ru]123([n]4cccc5c4c4[n]1c(ccc4c1nc4c(nc51)cccc4)c1[n]2cccc1)([n]1ccccc1c1[n]3cccc1)C#N.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A Red-Emitting Light Switch Based on a Heteroleptic Ruthenium(II) Complex Containing a Tridentate dppz Analogue
• Authors of publication: David J. Stewart; Phillip E. Fanwick; David R. McMillin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6814 - 6816
• a: 8.9049 ± 0.0005 Å
• b: 13.2613 ± 0.0005 Å
• c: 16.3618 ± 0.0011 Å
• α: 107.268 ± 0.005°
• β: 105.413 ± 0.005°
• γ: 100.565 ± 0.004°
• Cell volume: 1705.03 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No