Information card for entry 4077678

Structure parameters

• Formula: C25 H41 N O5 W
• Calculated formula: C25 H41 N O5 W
• SMILES: [W]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[c]45C(=O)O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Water-Soluble Tungsten Hydrides: Synthesis, Structures, and Reactions of (C5H4CO2H)(CO)3WH and Related Complexes
• Authors of publication: Shafiq, Faisal; Szalda, David J.; Creutz, Carol; Bullock, R. Morris
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 824
• a: 9.775 ± 0.002 Å
• b: 11.127 ± 0.002 Å
• c: 13.44 ± 0.002 Å
• α: 99.18 ± 0.02°
• β: 105.12 ± 0.02°
• γ: 102.03 ± 0.01°
• Cell volume: 1344.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.0797
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No