Information card for entry 7041680

Structure parameters

• Formula: C15 H22 Cd N6 O S2
• Calculated formula: C15 H22 Cd N6 O S2
• Title of publication: Group 12 metal complexes of (2-piperazine-1-yl-ethyl)-pyridin-2-yl-methylene-amine: rare participation of terminal piperazine N in coordination leads to structural diversity.
• Authors of publication: Purkait, Suranjana; Aullón, Gabriel; Zangrando, Ennio; Chakraborty, Prateeti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2184 - 2195
• a: 8.3497 ± 0.0004 Å
• b: 8.4147 ± 0.0004 Å
• c: 16.2518 ± 0.0007 Å
• α: 90.425 ± 0.002°
• β: 101.331 ± 0.002°
• γ: 118.21 ± 0.002°
• Cell volume: 979.94 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No