Information card for entry 7062343

Structure parameters

• Formula: C41 H42 Co N2 O3 P
• Calculated formula: C41 H42 Co N2 O3 P
• SMILES: [Co](P1N(c2c(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1c1ccccc21)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])C#[O]
• Title of publication: The reactivity of N-heterocyclic diphospholenes towards iron triad carbonyls
• Authors of publication: Kazakov, Gennady G.; Druzhkov, Nikolay O.; Rumyantcev, Roman V.; Fukin, Georgy K.; Starikov, Andrey G.; Piskunov, Alexandr V.; Cherkasov, Vladimir K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 5953 - 5960
• a: 14.1235 ± 0.0002 Å
• b: 12.3282 ± 0.0002 Å
• c: 21.068 ± 0.0003 Å
• α: 90°
• β: 91.369 ± 0.001°
• γ: 90°
• Cell volume: 3667.26 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No