Information card for entry 2106020

Structure parameters

• Chemical name: MoZTS
• Formula: C3 H12 Mo0.2 N6 O4 S4 Zn0.75
• Calculated formula: C3 H12 Mo0.2 N6 O4 S4 Zn0.75
• Title of publication: Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals
• Authors of publication: Rajasekar, M.; Muthu, K.; Aditya Prasad, A.; Agilandeshwari, R.; Meenakshisundaram, SP
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• a: 11.153 ± 0.002 Å
• b: 7.7691 ± 0.0014 Å
• c: 15.408 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1335.1 ± 0.4 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes