Information card for entry 4070344

Structure parameters

• Formula: C56 H84 N4 O2 W2
• Calculated formula: C56 H84 N4 O2 W2
• SMILES: CCCCCC1N(c2c(cccc2C)C)[C@H](C)[CH]2=[CH2][W]3456=12([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)N=O.CCCCCC1=[N](c2c(cccc2C)C)[W]23451(C/C=C/C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)N=O
• Title of publication: Unprecedented Reactivity Initiated by Insertion of 2,6-Xylylisonitrile into the W−Alkyl Linkages of Cp*W(NO)(n-alkyl)(η3-CH2CHCHMe) Complexes
• Authors of publication: Semproni, Scott P.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6139
• a: 7.884 ± 0.005 Å
• b: 18.274 ± 0.005 Å
• c: 19.322 ± 0.005 Å
• α: 102.85 ± 0.005°
• β: 100.902 ± 0.005°
• γ: 93.82 ± 0.005°
• Cell volume: 2648 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No