Information card for entry 7007837

Structure parameters

• Common name: (W2Se4(dmpe)2(CH3CO2))PF6
• Formula: C14 H35 F6 O2 P5 Se4 W2
• Calculated formula: C14 H35 F6 O2 P5 Se4 W2
• SMILES: [W]1234([W]5([Se]1)([Se]2)(=[Se])([P](C)(C)CC[P]5(C)C)[O]=C(C)O4)(=[Se])[P](C)(C)CC[P]3(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A combined stopped-flow, electrospray ionization mass spectrometry and (31)P NMR study on the acetic acid-mediated fragmentation of the hydroxo-chalcogenide cluster [W(3)Se(4)(OH)(3)(dmpe)(3)](+) (dmpe = 1,2-bis(dimethylphosphanyl)ethane) to yield the dinuclear [W(2)Se(2)(mu-Se)(2)(mu-CH(3)CO(2))(dmpe)(2)](+) complex.
• Authors of publication: Algarra, Andrés G; Basallote, Manuel G.; Esther Castillo, C.; Corao, Carolina; Llusar, Rosa; Jesús Fernández-Trujillo, M; Vicent, Cristian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 48
• Pages of publication: 5725 - 5733
• a: 8.446 ± 0.005 Å
• b: 12.795 ± 0.007 Å
• c: 14.728 ± 0.008 Å
• α: 90°
• β: 91.892 ± 0.014°
• γ: 90°
• Cell volume: 1590.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1822
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No