Information card for entry 4334403

Structure parameters

• Chemical name: 9-Dimethylamino-4,4',8a,8a'-tetraaza-9-phospha-2,3,6,7,8,8a,9,9a- octahydro-1H-fluorene-tungstenpentacarbonyl
• Formula: C15 H18 N5 O5 P W
• Calculated formula: C15 H18 N5 O5 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(N(C)C)N2CCCN=C2C2=NCCCN12
• Title of publication: Conformationally Constrained N-Heterocyclic Phosphine-Diimine with Dual Functionality
• Authors of publication: Georgios Mourgas; Martin Nieger; Daniela Förster; Dietrich Gudat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4104 - 4112
• a: 9.67 ± 0.001 Å
• b: 12.722 ± 0.001 Å
• c: 31.666 ± 0.003 Å
• α: 90°
• β: 91.04 ± 0.01°
• γ: 90°
• Cell volume: 3895 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No