Information card for entry 7718618

Structure parameters

• Formula: C9 H4 Cl0.5 Cs5.5 N9 O3 S3 W3
• Calculated formula: C9 Cl0.5 Cs5.5 N9 O3 S3 W3
• Title of publication: Tungsten oxide as a universal source for the synthesis of complexes with different nuclearities in WO₃/chalcogen/NaCN systems.
• Authors of publication: Yarovoy, Spartak S.; Mirzaeva, Irina V.; Sukhikh, Taisiya S.; Mironov, Yuri V.; Yanshole, Vadim; Brylev, Konstantin A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 8644 - 8657
• a: 41.9005 ± 0.0014 Å
• b: 10.9801 ± 0.0003 Å
• c: 13.2072 ± 0.0004 Å
• α: 90°
• β: 90.766 ± 0.001°
• γ: 90°
• Cell volume: 6075.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No