Heterometallic Pyrazolate Bridge Complexes: Crystallographic Data for 5 Compounds

A series of five heterometallic pyrazolate-bridged complexes synthesized by Marina A. Uvarova. The dataset contains crystallographic information files (CIF) for binuclear and trinuclear complexes with palladium and copper, cobalt, or zinc centers. The complexes were characterized by X-ray diffraction, FT-IR, ESI-Mass Spectrometry, NMR, and elemental analysis.

Use Cases

• Modeling molecular geometry based on X-ray diffraction data
• Analyzing spectroscopic signatures based on FT-IR and NMR characterization
• Studying synthetic pathways for heterometallic complexes with specific nuclearities
• Validating computational chemistry predictions against experimental crystallographic data

Strengths

• Data includes five distinct complexes with varying metal centers (Cu, Co, Zn) and ligands
• Compounds were fully characterized using multiple analytical techniques (X-ray diffraction, FT-IR, ESI-MS, NMR, elemental analysis)
• Specific structural details are provided, such as Pd···M distances ranging from 3.213–3.468 Å

Limitations

• Row count is unknown, which may limit suitability assessment
• Column-level documentation is absent; field semantics must be inferred after download

Provenance

Source

figshare

Collection Method

Synthetic chemistry and experimental characterization

Time Range

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Freshness

Last updated 2026-05-01 12:04:40; freshness should be verified

Geography

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