Information card for entry 1564876

Structure parameters

• Formula: C40 H53 N7 O3 Ru
• Calculated formula: C40 H53 N7 O3 Ru
• SMILES: c12=Cc3c(c(c4=Cc5c(c(c6C=c7c(c(c8C=c(c(c1CC)CC)n2[Ru]([n]78)(N=O)(ON=N(=O)C(C)(C)C)([n]34)n56)CC)CC)CC)CC)CC)CC
• Title of publication: Unusual monodentate binding of a C-NONOate ligand in the nitrosyl complex (OEP)Ru(NO)(η1-ONN(t-Bu)O)
• Authors of publication: Xu, Nan; Bevak, Alexander; Roesch, Joseph; Armstrong, Bernadette; Abucayon, Erwin; Bell, Zachary; Powell, Douglas R.; Richter-Addo, George B.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 507
• Pages of publication: 119567
• a: 22.0467 ± 0.0019 Å
• b: 15.6792 ± 0.0013 Å
• c: 12.9306 ± 0.0011 Å
• α: 90°
• β: 99.403 ± 0.002°
• γ: 90°
• Cell volume: 4409.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No