Information card for entry 7010460

Structure parameters

• Chemical name: trans-dioxo-tetrakis(1,4-pyrazine)-rhenium(V) sodium bis(exafluorophosphate) dihydrate
• Formula: C16 H20 F12 N8 Na O4 P2 Re
• Calculated formula: C16 H20 F12 N8 Na O4 P2 Re
• SMILES: c1c[n]([Re]([n]2ccncc2)([n]2ccncc2)(=O)([n]2ccncc2)=O)ccn1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[Na]([OH2])[OH2]
• 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: 9.243 ± 0.001 Å
• b: 14.793 ± 0.002 Å
• c: 10.56 ± 0.001 Å
• α: 90°
• β: 95.94 ± 0.02°
• γ: 90°
• Cell volume: 1436.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.0955
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No