Heterometallic Pyrazolate Bridge Complexes: Crystallographic Data for 5 Compounds

A series of five heterometallic binuclear and trinuclear 1,10-phenanthroline-based complexes, designated 1-5, was synthesized and characterized by Marina A. Uvarova. The dataset includes Crystallographic Information File (CIF) data from X-ray diffraction, FT-IR spectroscopy, ESI-Mass Spectrometry, NMR spectroscopy, and elemental analysis. The data was last updated on 2026-05-01.

Use Cases

• Modeling metal-metal distances based on reported Pd···M distances ranging from 3.213–3.468 Å.
• Training models to predict spectroscopic signatures based on FT-IR and NMR characterization data.
• Analyzing structural motifs in heterometallic assemblies based on X-ray diffraction data for square-planar and tetrahedral coordination environments.
• Validating synthetic approaches for heterometallic complexes with specific compositions and nuclearities.

Strengths

• Data is derived from multiple characterization techniques: X-ray diffraction, FT-IR, ESI-MS, NMR, and elemental analysis.
• Includes precise structural measurements, such as nonbinding Pd···M distances ranging from 3.213–3.468 Å.
• Describes a specific series of five synthesized complexes (1-5) with defined metal centers (Cu, Co, Zn) and ligands.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is small, at 1018.1 KB, indicating limited scope.

Provenance

Source

Marina A. Uvarova via figshare

Collection Method

Synthetic chemistry and laboratory characterization.

Time Range

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Freshness

Last updated 2026-05-01 12:04:41; freshness should be verified.

Geography

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