Information card for entry 7038343

Structure parameters

• Formula: C44 H35 B2 Cl F2 Fe N6 O7.5 P
• Calculated formula: C44 H35 B2 Cl F2 Fe N6 O7.5 P
• Title of publication: Clathrochelates meet phosphorus. New thio- and phosphorylation reactions of an iron(ii) dichloroclathrochelate precursor and preparation of its first phosphorus(iii)-containing macrobicyclic derivative.
• Authors of publication: Artyushin, Oleg I.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Voloshin, Yan Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5328 - 5333
• a: 12.32 ± 0.0013 Å
• b: 13.773 ± 0.0018 Å
• c: 13.8321 ± 0.0017 Å
• α: 116.261 ± 0.003°
• β: 91.671 ± 0.003°
• γ: 95.321 ± 0.004°
• Cell volume: 2089.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No