Information card for entry 7120082

Structure parameters

• Formula: C38 H72 Ca4 F28 N4 O15 P4
• Calculated formula: C38 H72 Ca4 F28 N4 O15 P4
• Title of publication: Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.
• Authors of publication: Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 33
• Pages of publication: 4573 - 4576
• a: 12.7225 ± 0.0006 Å
• b: 13.4339 ± 0.0006 Å
• c: 21.7776 ± 0.001 Å
• α: 73.456 ± 0.002°
• β: 89.794 ± 0.002°
• γ: 68.867 ± 0.002°
• Cell volume: 3307.5 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No