Information card for entry 4132439

Structure parameters

• Formula: C200 H250 F36 N42 O10 P6 Pd8 S4
• Calculated formula: C200 H248 F36 N42 O10 P6 Pd8 S4
• Title of publication: Self-Assembled Pd(II) Barrels as Containers for Transient Merocyanine Form and Reverse Thermochromism of Spiropyran.
• Authors of publication: Howlader, Prodip; Mondal, Bijnaneswar; Purba, Prioti Choudhury; Zangrando, Ennio; Mukherjee, Partha Sarathi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 25
• Pages of publication: 7952 - 7960
• a: 22.184 ± 0.004 Å
• b: 23.316 ± 0.005 Å
• c: 24.414 ± 0.005 Å
• α: 107.21 ± 0.03°
• β: 103.15 ± 0.03°
• γ: 91.64 ± 0.03°
• Cell volume: 11684 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No