Information card for entry 7045507

Structure parameters

• Formula: C48 H64 Cd4 N16 O4 S8
• Calculated formula: C48 H64 Cd4 N16 O4 S8
• SMILES: Cc1cc(C)nc2[n]1[Cd]134([n]5c(nc(cc5C)C)[S]1[Cd]15(Sc6[n]1c(cc(n6)C)C)([n]1c(nc(cc1C)C)[S]45)[OH2])[S]2[Cd]124([n]5c(nc(cc5C)C)[S]31)[n]1c(nc(cc1C)C)[S]2[Cd]12([n]3c(nc(cc3C)C)S1)([n]1c(nc(cc1C)C)[S]42)[OH2].O.O
• Title of publication: A sulfur vacancy rich CdS based composite photocatalyst with g-C₃N₄ as a matrix derived from a Cd-S cluster assembled supramolecular network for H₂ production and VOC removal.
• Authors of publication: Wang, Yaqin; Xu, Xinxin; Lu, Wei; Huo, Yuqiu; Bian, Lijun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 4219 - 4227
• a: 17.3871 ± 0.001 Å
• b: 16.0371 ± 0.0009 Å
• c: 22.7948 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6356.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No