Information card for entry 4341095

Structure parameters

• Formula: C42 H56 Ag2 Ge2 I2 N4 S2
• Calculated formula: C42 H56 Ag2 Ge2 I2 N4 S2
• SMILES: C12=CC=CC=CC1=[N](C(C)(C)C)[Ge](N2C(C)(C)C)(S[Ag]1[I][Ag]([I]1)S[Ge]1([N](=C2C=CC=CC=C2N1C(C)(C)C)C(C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: Use of thio and seleno germanones as ligands: silver(i) halide complexes with ge═e→ag-I (e = s, se) moieties and chalcogen-dependent argentophilic interaction.
• Authors of publication: Yadav, Dhirendra; Siwatch, Rahul Kumar; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10054 - 10059
• a: 12.406 ± 0.0019 Å
• b: 18.128 ± 0.003 Å
• c: 21.255 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4780.2 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No