Information card for entry 4334404

Structure parameters

• Formula: C16 H23 Co N5 O P
• Calculated formula: C16 H23 Co N5 O P
• SMILES: [P]1(N2C(=NCCC2)C2=NCCCN12)(N(C)C)[Co]1234([cH]5[cH]1[cH]2[cH]3[cH]45)C#[O]
• 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: 10.7252 ± 0.0003 Å
• b: 9.7294 ± 0.0003 Å
• c: 16.8025 ± 0.0005 Å
• α: 90°
• β: 95.431 ± 0.002°
• γ: 90°
• Cell volume: 1745.47 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No