Information card for entry 7062341

Structure parameters

• Formula: C80 H84 N4 Ni2 O8 P2
• Calculated formula: C80 H84 N4 Ni2 O8 P2
• 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: 11.8356 ± 0.0003 Å
• b: 12.3643 ± 0.0004 Å
• c: 13.0056 ± 0.0004 Å
• α: 104.947 ± 0.001°
• β: 96.647 ± 0.001°
• γ: 108.791 ± 0.001°
• Cell volume: 1699.19 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No