Information card for entry 4332560

Structure parameters

• Chemical name: (PPh4)3[W(CN)7(O2)]4H2O
• Formula: C79 H68 N7 O6 P3 W
• Calculated formula: C79 H64 N7 O6 P3 W
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[W]1(OO1)(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O
• Title of publication: [PPh4]3[W(CN)7(O2)]·4H2O as the Representative of the [M(L)7(LL)] Class for Nine-Coordinate Complexes
• Authors of publication: Matoga, Dariusz; Szklarzewicz, Janusz; Mikuriya, Masahiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7100 - 7104
• a: 13.1951 ± 0.0011 Å
• b: 13.9814 ± 0.0012 Å
• c: 21.5885 ± 0.0018 Å
• α: 77.871 ± 0.001°
• β: 87.181 ± 0.002°
• γ: 62.977 ± 0.001°
• Cell volume: 3463.9 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No