Data regarding the manuscript "Out-Of-Plane Metal Coordination for a True Solvent-Free Building with Molecular Bricks: Dodging the Surface Ligand Effect for On-Surface Vacuum Self-Assembly" 

The upload includes Near Edge X-ray Absorption Fine Structure (NEXAFS) and X-ray photoelectron spectroscopy (XPS) data measured on a thick Fe layer grown on crystalline MgO and subjected to several treatments, as specified in the experimental section of the associated paper, where details on data acquisition and processing are also provided.

Here is a list of the included files, distributed in 4 subfolders, each named after the corresponding figure number in the paper.

Figure 2
1) Figure 2 b1.dat: ZnTPP/Fe-p(1 x 1)O
2) Figure 2 b2.dat: DPNDI/ZnTPP/Fe-p(1 x 1)O
3) Figure 2 b3.dat: ZnTPP/DPNDI/ZnTPP/Fe-p(1 x 1)O

Figure 3
4) Figure 3 b2.dat: DPNDI/ZnTPP/Fe-p(1 x 1)O
5) Figure 3 b4.dat: DPNDI/ZnTPP/DPNDI/ZnTPP/Fe-p(1 x 1)O
6) Figure 3 b5.dat: DPNDI/CoTPP/DPNDI/ZnTPP/Fe-p(1 x 1)O

Figure 4
Subfolder Figure 4A
For a 1ML DPNDI/ZnTPP/Fe-p(1 x 1)O sample
7) Figure 4A - ZnTPP + 1ML DPNDI C1s.dat: C 1s energy region
8) Figure 4A - ZnTPP + 1ML DPNDI N1s.dat: N 1s energy region
9) Figure 4A - ZnTPP + 1ML DPNDI O1s.dat: O 1s energy region
For a ZnTPP/Fe-p(1 x 1)O sample
10) Figure 4A - ZnTPP C1s.dat:  C 1s energy region
11) Figure 4A - ZnTPP N1s.dat:  N 1s energy region
12) Figure 4A - ZnTPP O1s.dat:  O 1s energy region
Subfolder Figure 4B
13) Figure 4B ZnTPP.dat: ZnTPP/Fe-p(1 x 1)O
14) Figure 4B ZnTPP + 1ML DPNDI.dat: 1ML DPNDI/ZnTPP/Fe-p(1 x 1)O
15) Figure 4B ZnTPP + 2ML DPNDI.dat: 2ML DPNDI/ZnTPP/Fe-p(1 x 1)O	

Figure 5
16) Figure 5 - 1ML DPNDI.dat: 1ML DPNDI/ZnTPP/Fe-p(1 x 1)O as prepared
17) Figure 5 - 2ML DPNDI.dat: 2ML DPNDI/ZnTPP/Fe-p(1 x 1)O as prepared
18) Figure 5 - 2ML DPNDI annel.dat: 2ML DPNDI/ZnTPP/Fe-p(1 x 1)O annealed
