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Updated: Jun 1, 2026

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Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry
Published on: June 8, 2022
Hexa-kis-(thio-urea-κS)nickel(II) nitrate: a redetermination
Summary
This study precisely details the crystal structure of a nickel-thiourea complex, confirming previous findings. It reveals the central nickel atom is octahedrally coordinated by six sulfur-bound thiourea molecules.
Area of Science:
- Inorganic Chemistry
- Crystallography
- Materials Science
Background:
- Previous X-ray studies on [Ni(CH4N2S)6](NO3)2 were conducted using film methods.
- Limited precision and lack of hydrogen atom localization in prior research.
Purpose of the Study:
- To precisely determine the crystal structure of the molecular salt [Ni(CH4N2S)6](NO3)2.
- To locate all hydrogen atoms and refine structural parameters to modern standards.
Main Methods:
- Single-crystal X-ray diffraction.
- Analysis of diffraction data to determine atomic positions and bonding.
Main Results:
- Confirmation of previously reported crystal structure of [Ni(CH4N2S)6](NO3)2.
- Precise determination of atomic coordinates, including all hydrogen atoms.
- Identification of octahedral coordination of the central Ni atom by six sulfur-bound thiourea molecules.
Conclusions:
- The crystal structure was elucidated to high precision, confirming prior work.
- Intra- and inter-molecular hydrogen bonds (N-H⋯S and N-H⋯O) stabilize the crystal structure.
- Provides a detailed structural basis for understanding the properties of this nickel-thiourea complex.
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