Information card for entry 7013881

Structure parameters

• Formula: C42 H71 B O P6 Se4 W3
• Calculated formula: C42 H68.99 B O0.99 P6 Se4 W3
• Title of publication: Synthesis and structure of the incomplete cuboidal clusters [W3Se4H3(dmpe)3]+, [W3Se4H(3-x)(OH)x(dmpe)3]+ and [W3Se4(OH)3(dmpe)3]+, and the mechanism of the acid-assisted substitution of the coordinated hydrides.
• Authors of publication: Basallote, Manuel G.; Estevan, Francisco; Feliz, Marta; Jesús Fernández-Trujillo, M; Hoyos, Dora A.; Llusar, Rosa; Uriel, Santiago; Vicent, Cristian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 530 - 536
• a: 15.097 ± 0.002 Å
• b: 11.3593 ± 0.0015 Å
• c: 33.118 ± 0.004 Å
• α: 90°
• β: 98.76 ± 0.003°
• γ: 90°
• Cell volume: 5613.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No