Information card for entry 7010459

Structure parameters

• Chemical name: (1,4-pyrazine)-triphenylphosphine-dichloro-ethoxy-oxo-rhenium(V)
• Formula: C24 H24 Cl2 N2 O2 P Re
• Calculated formula: C24 H24 Cl2 N2 O2 P Re
• SMILES: [Re]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(Cl)(OCC)(=O)[n]1ccncc1
• Title of publication: Complexed bridging ligands: oxorhenium(V) compounds with mono-coordinated pyrazine or pyrimidine as possible building blocks for the construction of polynuclear architectures †
• Authors of publication: Iengo, Elisabetta; Zangrando, Ennio; Mestroni, Stefano; Fronzoni, Giovanna; Stener, Mauro; Alessio, Enzo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1338
• a: 17.443 ± 0.004 Å
• b: 8.891 ± 0.001 Å
• c: 32.297 ± 0.007 Å
• α: 90°
• β: 97.8 ± 0.02°
• γ: 90°
• Cell volume: 4962.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No