Information card for entry 4329676

Structure parameters

• Formula: C15 H11 Cl2 F6 N4 O P Ru
• Calculated formula: C15 H11 Cl2 F6 N4 O P Ru
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Ru]([n]12)([n]34)(N=O)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structural Influence on the Photochromic Response of a Series of Ruthenium Mononitrosyl Complexes
• Authors of publication: Benoit Cormary; Sonia Ladeira; Kane Jacob; Pascal G. Lacroix; Theo Woike; Dominik Schaniel; Isabelle Malfant
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7492 - 7501
• a: 8.9771 ± 0.0005 Å
• b: 16.2944 ± 0.0008 Å
• c: 12.6972 ± 0.0007 Å
• α: 90°
• β: 95.956 ± 0.004°
• γ: 90°
• Cell volume: 1847.28 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No