Information card for entry 4075133

Structure parameters

• Common name: 1092 [Ru(PNP-BIPOL)(PPh3)(Cl)2].2CH2Cl2
• Formula: C49 H40 Cl6 N3 O4 P3 Ru
• Calculated formula: C49 H40 Cl6 N3 O4 P3 Ru
• SMILES: [Ru]12(Cl)(Cl)([P]3(Oc4c(cccc4)c4c(O3)cccc4)Nc3[n]2c(N[P]21Oc1c(cccc1)c1c(O2)cccc1)ccc3)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines
• Authors of publication: Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 1900
• a: 10.236 ± 0.007 Å
• b: 13.506 ± 0.014 Å
• c: 18.298 ± 0.013 Å
• α: 107.63 ± 0.02°
• β: 93.4 ± 0.01°
• γ: 93.13 ± 0.01°
• Cell volume: 2400 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.1164
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No