Information card for entry 7043839

Structure parameters

• Formula: C83 H116 N2 Na2 O6 S2 Si2
• Calculated formula: C83 H116 N2 Na2 O6 S2 Si2
• SMILES: c1(c(cccc1C(C)C)C(C)C)O[Si](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(C(C)C)cccc1C(C)C)[S]1[Na]([N]#CC)[S]([Na]1[N]#CC)[Si](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(C(C)C)cccc1C(C)C.c1ccccc1C
• 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: 12.6823 ± 0.0004 Å
• b: 19.4498 ± 0.0005 Å
• c: 20.2522 ± 0.0006 Å
• α: 90°
• β: 124.157 ± 0.002°
• γ: 90°
• Cell volume: 4133.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0804
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No