Information card for entry 7106989

Structure parameters

• Formula: C48 H37 Ca3 N2 O15 P2
• Calculated formula: C48 H37 Ca3 N2 O15 P2
• Title of publication: A coordination polymer of (Ph3P)AuCl prepared by post-synthetic modification and its application in 1-hexene/n-hexane separation
• Authors of publication: Ana J. Nunez; Lindse N. Shear; Naween Dahal; Ilich A. Ibarra; Ji Woong Yoon; Young Kyu Hwang; Jong-San Chang; Simon M. Humphrey
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11855
• a: 23.476 ± 0.005 Å
• b: 9.5054 ± 0.0019 Å
• c: 27.629 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6165 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2172
• Weighted residual factors for all reflections included in the refinement: 0.236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No