Information card for entry 7062340

Structure parameters

• Formula: C86 H94 Fe2 N4 O7 P2
• Calculated formula: C86 H94 Fe2 N4 O7 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: 14.9695 ± 0.0003 Å
• b: 16.1526 ± 0.0003 Å
• c: 17.9588 ± 0.0003 Å
• α: 78.315 ± 0.002°
• β: 73.465 ± 0.002°
• γ: 68.266 ± 0.002°
• Cell volume: 3843.8 ± 0.14 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: 0.0805
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No