Information card for entry 7214927

Structure parameters

• Formula: C65 H86 Cl4 N11 O3.5 Pd2 S4 Zn2
• Calculated formula: C65 H85 Cl4 N11 O3.5 Pd2 S4 Zn2
• SMILES: [Pd]12([n]3c(c4[n]2ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)Sc2cc[n]([Zn](Cl)(Cl)[n]3ccc(S[Pd]4([n]5c(c6[n]4ccc(c6)C(C)(C)C)cc(cc5)C(C)(C)C)Sc4cc[n]([Zn](Cl)(Cl)[n]5ccc(S1)cc5)cc4)cc3)cc2.O.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Toward heteronuclear supramolecular architectures of pyridine-4-thiolate
• Authors of publication: Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 8228
• a: 25.4591 ± 0.0007 Å
• b: 25.4591 ± 0.0007 Å
• c: 46.7498 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30301.6 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No