Information card for entry 4340250

Structure parameters

• Common name: [W2(hpp)4(μ-CO)2][PF6],(CH2Cl2)
• Formula: C31 H50 Cl2 F6 N12 O2 P W2
• Calculated formula: C31 H50 Cl2 F6 N12 O2 P W2
• Title of publication: Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.
• Authors of publication: Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 201 - 213
• a: 8.7824 ± 0.0008 Å
• b: 15.7308 ± 0.0014 Å
• c: 14.3831 ± 0.0013 Å
• α: 90°
• β: 94.85 ± 0.002°
• γ: 90°
• Cell volume: 1980 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No