1：Experimental Design and Method Selection:

The study involved synthesizing a rhenium(I) carbonyl complex using reflux methods, characterizing it via spectroscopic techniques (IR, NMR, UV-Vis, luminescence), X-ray crystallography, cyclic voltammetry, and DFT calculations. Cytotoxicity was assessed using MTT assay, and bioimaging was performed with fluorescence microscopy.

2：Sample Selection and Data Sources:

The complex was synthesized from Re(CO)5Br and a custom ligand. Human breast cancer cell lines (MCF-7) were used for biological studies.

3：List of Experimental Equipment and Materials:

Instruments included Perkin-Elmer 2400 CHNS/O elemental analyzer, Perkin Elmer RX-1 IR spectrophotometer, Bruker 300 MHz NMR instrument, Waters Xevo G2 Q-TOF mass spectrometer, PerkinElmer Lambda 750 spectrophotometer, Shimadzu RF-6000 fluorescence spectrophotometer, CHI Electrochemical workstation, Bruker AXS Kappa smart Apex-II diffractometer, microplate reader (Tecan infinite M200), and fluorescence microscope (Leica DM4000 B). Materials included acetonitrile, DMSO, silica gel, ethyl acetate, petroleum ether, and MTT dye.

4：Experimental Procedures and Operational Workflow:

Synthesis involved refluxing reagents in acetonitrile, purification by column chromatography. Characterization included IR, NMR, mass spectrometry, UV-Vis, luminescence measurements, X-ray diffraction, cyclic voltammetry, and DFT calculations. Cytotoxicity assay involved treating MCF-7 cells with the complex, adding MTT, and measuring absorbance. Bioimaging involved treating cells with the complex, fixation, and observation under a fluorescence microscope.

5：Data Analysis Methods:

Data were analyzed using software for emission spectra integration, cyclic voltammetry, crystallographic refinement with SHELXL, and DFT calculations with Gaussian 09. Statistical analysis for cytotoxicity included IC50 determination.