Information card for entry 7062342

Structure parameters

• Formula: C28 H48 Br Co Mg O10
• Calculated formula: C28 H48 Br Co Mg O10
• SMILES: [Co](C#[O])(C#[O])(C#[O])C#[O].[Mg](Br)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• 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: 12.948 ± 0.0002 Å
• b: 23.6942 ± 0.0003 Å
• c: 10.6992 ± 0.0001 Å
• α: 90°
• β: 93.598 ± 0.001°
• γ: 90°
• Cell volume: 3275.96 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No