Measurement evidence
Enhancing Near-Infrared Photothermal Performance by Molecular Aggregation Optimization in Semiconductive Coordination Polymers · Yan Y., Li Z.-Y., Qu K.-G. et al. · Inorganic Chemistry · 2024 · 22502-22511
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
compound 1 pure bulk product from CdCl2 variant · Powder
PXRD used to verify pure compound 1 product from CdCl2 variant.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD purity check | product was pure verified by PXRD | — | — | Text Qualitative | 22503 · 2.1.1 · Figure S21a |
compound 2 pure microcrystalline product · Powder
PXRD comparison of as-synthesised and simulated compound 2 patterns.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|
compound 1 brown plate crystals · Single Crystal
Structure solved by direct methods; ligand H atoms added geometrically and treated with riding model.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CCDC deposition number | 2373613 | — | — | SI Table Exact Reported | S2 · Table section · Table S1 |
| short pi-pi distance maximum | 3.30(2) to 3.43(2) A | — | (2) | Text Range | 22504 · 3.1 Crystal Structure · Figure 1c |
| short pi-pi distance minimum | 3.30(2) to 3.43(2) A | — | (2) | Text Range | 22504 · 3.1 Crystal Structure · Figure 1c |
| slip angle | 56.8(1) deg | — | (1) | Text Exact Reported | 22504 · 3.1 Crystal Structure · Figure S2a |
| space group | C2/m | — | — | SI Table Exact Reported | S2 · Table section · Table S1 |
| unit cell volume | 771(3) | — | (3) | SI Table Exact Reported | S2 · Table section · Table S1 |
compound 2 brown single crystals · Single Crystal
Structure solved by direct methods; ligand H atoms added geometrically and treated with riding model.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CCDC deposition number | 2373614 | — | — | SI Table Exact Reported | S2 · Table section · Table S1 |
| dihedral angle between adjacent naphthalene planes | 1.9(2) deg | — | (2) | Text Exact Reported | 22505 · 3.1 Crystal Structure · Figure S6 |
| centroid-centroid pi-pi distance maximum | 3.537 to 3.650 A | — | — | Text Range | 22504 · 3.1 Crystal Structure · Figure 1f |
| centroid-centroid pi-pi distance minimum | 3.537 to 3.650 A | — | — | Text Range | 22504 · 3.1 Crystal Structure · Figure 1f |
| rotation angle between long molecular axes | 49.70(7) deg | — | (7) | Text Exact Reported | 22504 · 3.1 Crystal Structure · Figure S2b |
| space group | C2/c | — | — | SI Table Exact Reported | S2 · Table section · Table S1 |
| unit cell volume | 1305.93(19) | — | (19) | SI Table Exact Reported | S2 · Table section · Table S1 |