Information card for entry 2225768

Structure parameters

• Chemical name: {4-Phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazidato}{4-phenyl-1-[1- (1,3-thiazol-2-yl)ethylidene]thiosemicarbazide}nickel(II) chloride monohydrate
• Formula: C24 H25 Cl N8 Ni O S4
• Calculated formula: C24 H25 Cl N8 Ni O S4
• Title of publication: {4-Phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazidato}{4-phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide}nickel(II) chloride monohydrate
• Authors of publication: Venkatraman, Ramaiyer; Hossain, Md. Alamgir; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m541 - m542
• a: 8.5983 ± 0.0015 Å
• b: 12.929 ± 0.002 Å
• c: 13.492 ± 0.002 Å
• α: 101.71 ± 0.008°
• β: 90.168 ± 0.008°
• γ: 98.946 ± 0.007°
• Cell volume: 1449.9 ± 0.4 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes