Information card for entry 7713202

Structure parameters

• Formula: C376 H394.942 Cl16 Co8 F1.46 N72 O54.09 P1.46
• Calculated formula: C338.28 H258.94 Cl11.625 Co8 F1.462 N72 O16.106 P1.462
• Title of publication: The preservation of sarin and O,O’-diisopropyl fluorophosphate inside coordination cage hosts
• Authors of publication: Dorrat, Jack C.; Young, Rosemary J.; Taylor, Christopher; Tipping, Max B.; Blok, Andrew James; Turner, David Roger; McKay, Alasdair I.; Ovenden, Simon; Ward, Michael D.; Dennison, Genevieve Helen; Tuck, Kellie
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 40.097 ± 0.008 Å
• b: 42.347 ± 0.009 Å
• c: 27.54 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 46763 ± 17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.1337
• Weighted residual factors for significantly intense reflections: 0.4398
• Weighted residual factors for all reflections included in the refinement: 0.4733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No