Information card for entry 7054260

Structure parameters

• Formula: C62 H54 Ag2 N6 P2 S4
• Calculated formula: C62 H54 Ag2 N6 P2 S4
• SMILES: [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Ag]12[S](C(N(Cc3cccnc3)Cc3cccnc3)=[S]1)[Ag]1([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]=C(N(Cc3cccnc3)Cc3cccnc3)[S]21
• Title of publication: Influence of ligand environment on the structure and properties of silver(i) dithiocarbamate cluster-based coordination polymers and dimers
• Authors of publication: Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 9
• Pages of publication: 4478
• a: 9.3011 ± 0.0003 Å
• b: 17.7718 ± 0.0007 Å
• c: 17.3865 ± 0.0007 Å
• α: 90°
• β: 90.886 ± 0.003°
• γ: 90°
• Cell volume: 2873.6 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1006
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No