Information card for entry 4082462

Structure parameters

• Formula: C101 H94 Cl N9 O7 P4 Ru
• Calculated formula: C101 H94 Cl N9 O7 P4 Ru
• SMILES: [Ru]12(Cl)([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)C#Cc1cc(cc(c1)C(=O)Nc1cccc(n1)NC(=O)CC(C)(C)C)C(=O)Nc1cccc(n1)NC(=O)CC(C)(C)C.c1ccccc1C#Cc1ccc(cc1)N1C(=O)NC(=O)NC1=O
• Title of publication: Supramolecular Ruthenium‒Alkynyl Multicomponent Architectures: Engineering, Photophysical Properties, and Responsiveness to Nitroaromatics
• Authors of publication: Gatri, Rafik; Ouerfelli, Ines; Efrit, Mohamed Lofti; Serein-Spirau, Françoise; Lère-Porte, Jean-Pierre; Valvin, Pierre; Roisnel, Thierry; Bivaud, Sébastien; Akdas-Kilig, Huriye; Fillaut, Jean-Luc
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 665
• a: 32.632 ± 0.003 Å
• b: 17.4273 ± 0.0013 Å
• c: 43.302 ± 0.003 Å
• α: 90°
• β: 103.879 ± 0.002°
• γ: 90°
• Cell volume: 23906 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1489
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No