Information card for entry 7043841

Structure parameters

• Formula: C76 H118 Ag Na O10 S2 Si2
• Calculated formula: C76 H118 Ag Na O10 S2 Si2
• SMILES: [Ag](S[Si](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C)S[Si](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C.[Na]([OH2])([OH]CC)([OH2])[OH]CC
• Title of publication: Silver complexes stabilized by large silanethiolate ligands ‒ crystal structures and luminescence properties
• Authors of publication: Ciborska, Anna; Hnatejko, Zbigniew; Kazimierczuk, Katarzyna; Mielcarek, Agnieszka; Wiśniewska, Aleksandra; Dołęga, Anna
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 20.792 ± 0.002 Å
• b: 11.4774 ± 0.0019 Å
• c: 33.058 ± 0.004 Å
• α: 90°
• β: 104.499 ± 0.009°
• γ: 90°
• Cell volume: 7637.7 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No