Information card for entry 7207260

Structure parameters

• Formula: C76 H82 F6 N6 O15 P2 Pd S2
• Calculated formula: C76 H82 F6 N6 O15 P2 Pd S2
• Title of publication: Deciphering anion‒π-acceptor interactions and detecting fluoride using a naphthalenediimide-based Pd(ii) coordination polymer
• Authors of publication: Guha, Samit; Goodson, Flynt S.; Clark, Ronald J.; Saha, Sourav
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1213
• a: 21.14 ± 0.004 Å
• b: 14.841 ± 0.003 Å
• c: 25.156 ± 0.005 Å
• α: 90°
• β: 96.507 ± 0.002°
• γ: 90°
• Cell volume: 7842 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2443
• Weighted residual factors for all reflections included in the refinement: 0.2541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No