Information card for entry 1557536

Structure parameters

• Formula: C36 Al2 F73 O12 W
• Calculated formula: C36 Al2 F73 O12 W
• SMILES: C(C(F)(F)F)(C(F)(F)F)(O[Al]([F][Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O[W](C#[O])(C#[O])(C#[O])(C#[O])OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals
• Authors of publication: Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 3592 - 3603
• a: 11.5888 ± 0.0008 Å
• b: 11.5986 ± 0.0008 Å
• c: 12.7755 ± 0.0008 Å
• α: 82.965 ± 0.002°
• β: 67.136 ± 0.002°
• γ: 87.863 ± 0.002°
• Cell volume: 1570.27 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No