Information card for entry 7114230

Structure parameters

• Formula: C110 H129 F48 N19 O8 W4
• Calculated formula: C104 H120 F48 N16 O8 W4
• SMILES: [W]12([NH]=C(C(=C(N1)C)C#[N][W]1(NC(=C(C(=[NH]1)C)C#[N][W]1(NC(=C(C(=[NH]1)C)C#[N][W]1(NC(=C(C(=[NH]1)C)C#[N]2)C)(=Nc1c(cccc1C(C)C)C(C)C)(OC(C(F)(F)F)(C(F)(F)F)C)OC(C)(C(F)(F)F)C(F)(F)F)C)(=Nc1c(cccc1C(C)C)C(C)C)(OC(C)(C(F)(F)F)C(F)(F)F)OC(C)(C(F)(F)F)C(F)(F)F)C)(=Nc1c(cccc1C(C)C)C(C)C)(OC(C)(C(F)(F)F)C(F)(F)F)OC(C)(C(F)(F)F)C(F)(F)F)C)(=Nc1c(cccc1C(C)C)C(C)C)(OC(C)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C)C(F)(F)F
• Title of publication: Structure and reactivity studies of the first tungsten cyanoalkylidene complexElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b202110b/
• Authors of publication: Cameron, Thomas M.; Gamble, A. Scott; Abboud, Khalil A.; Boncella, James M.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 1148
• a: 19.308 ± 0.002 Å
• b: 20.222 ± 0.002 Å
• c: 21.243 ± 0.002 Å
• α: 111.65 ± 0.002°
• β: 91.564 ± 0.002°
• γ: 96.548 ± 0.002°
• Cell volume: 7637.2 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0955
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No