Information card for entry 2206707

Structure parameters

• Chemical name: (N,N-dimethylbenzylamine)pentacarbonyltungsten
• Formula: C14 H13 N O5 W
• Calculated formula: C14 H13 N O5 W
• SMILES: [W]([N](C)(C)Cc1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Pentacarbonyl(<i>N</i>,<i>N</i>-dimethylbenzylamine)tungsten
• Authors of publication: Mahmud, Tariq; Iqbal, Javed; Irshad, Muhammad; Elsegood, Mark R. J.; McKee, Vickie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1789 - m1791
• a: 13.7829 ± 0.0011 Å
• b: 12.5247 ± 0.001 Å
• c: 18.2985 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3158.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes