Information card for entry 4001601

Structure parameters

• Formula: C18 H41 Cl2 N5 W
• Calculated formula: C18 H41 Cl2 N5 W
• SMILES: [WH]1(=NC(C)(C)C)(=NC(C)(C)C)[N](C(C)C)=C(N(C)C)N1C(C)C.ClCCl
• Title of publication: New Tungsten(VI) Guanidinato Complexes: Synthesis, Characterization, and Application in Metal−Organic Chemical Vapor Deposition of Tungsten Nitride Thin Films
• Authors of publication: Rische, Daniel; Parala, Harish; Gemel, Eliza; Winter, Manuela; Fischer, Roland A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 6075
• a: 8.8327 ± 0.0006 Å
• b: 19.0411 ± 0.0013 Å
• c: 15.2788 ± 0.001 Å
• α: 90°
• β: 101.43 ± 0.006°
• γ: 90°
• Cell volume: 2518.7 ± 0.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No