Information card for entry 1512967

Structure parameters

• Formula: C39 H29 O3 P S6 Zn
• Calculated formula: C39 H29 O3 P S6 Zn
• SMILES: [Zn]123([S]=C(O1)c1sccc1)([S]=C(O2)c1sccc1)[S]=C(O3)c1sccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Syntheses and structural studies of heterobimetallic thiocarboxylate complexes containing zinc and copper
• Authors of publication: Suryabhan Singh; Jyotsna Chaturvedi; A.S. Aditya; N. Rajasekhar Reddy; Subrato Bhattacharya
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 396
• Pages of publication: 6 - 9
• a: 13.0176 ± 0.001 Å
• b: 13.0176 ± 0.001 Å
• c: 19.955 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2928.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.1834
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No