Information card for entry 2009205

Structure parameters

• Chemical name: bis[1,3-bis(diphenylphosphino)propane]dioxorhenium(V) iodide methanol solvate monohydrate
• Formula: C55 H58 I O4 P4 Re
• Calculated formula: C55 H58 I O4 P4 Re
• SMILES: [Re]12(=O)(=O)([P](c3ccccc3)(c3ccccc3)CCC[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CCC[P]2(c1ccccc1)c1ccccc1.OC.[I-].O
• Title of publication: [ReO~2~(dppp)~2~]I~<i>x~</i>[ReO~4~]~1-<i>x~</i>^.^<i>x</i>H~2~O^.^CH~3~OH for <i>x</i> = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]
• Authors of publication: Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1785 - 1789
• a: 13.832 ± 0.007 Å
• b: 18.746 ± 0.01 Å
• c: 19.654 ± 0.007 Å
• α: 90°
• β: 90.99 ± 0.03°
• γ: 90°
• Cell volume: 5095 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No