Measurement evidence
Synthesis and structural characterization of a Cu(II)-based 1D coordination polymer and its application in Schottky devices · Ahmed F., Halder S., Dutta B. et al. · New Journal of Chemistry · 2017 · 11317-11323
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
as-synthesised compound 1 bulk crystals/powder · Powder
Bruker D8 Advance, Cu Kalpha radiation (lambda = 1.548 A), 40 kV and 40 mA, 5-50 degree 2theta range, room temperature.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD phase purity | major peaks of as-synthesised 1 matched simulated pattern | — | — | Text Qualitative | p003 · TGA, PXRD and FESEM study · Fig. S3 |
single crystals of compound 1 · Single Crystal
Graphite-monochromated Mo Kalpha radiation, lambda = 0.71073 A; CIF reports 297(2) K.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| unit-cell a | 5.4915(2) | — | (2) | SI Table Exact Reported | p002 · Table S1 · Table S1 |
| unit-cell b | 17.4030(5) | — | (5) | SI Table Exact Reported | p002 · Table S1 · Table S1 |
| unit-cell c | 24.2402(7) | — | (7) | SI Table Exact Reported | p002 · Table S1 · Table S1 |
| unit-cell volume | 2316.60(13) | — | (13) | SI Table Exact Reported | p002 · Table S1 · Table S1 |
| C-H...pi interaction distance range | 3.234-3.502 | — | — | Text Range | p002 · Structural description · Fig. S1 |
| crystal system | Orthorhombic | — | — | SI Table Exact Reported | p002 · Table S1 · Table S1 |
| Cu-N bond range | 2.039(3)-2.042(3) | — | (3) | Text Range | p002 · Structural description · Fig. 1; Table S2 |
| apical Cu-O bond | 2.204(3) | — | (3) | Text Exact Reported | p002 · Structural description · Fig. 1; Table S2 |
| equatorial Cu-O bond range | 1.916(2)-1.925(2) | — | (2) | Text Range | p002 · Structural description · Fig. 1; Table S2 |
| calculated density | 1.451 | — | — | SI Table Exact Reported | p002 · Table S1 · Table S1 |
| crystallographic formula | C26H22CuN2O5 | — | — | SI Table Exact Reported | p002 · Table S1 · Table S1 |
| intermolecular O...O hydrogen-bond separation range | 2.68-2.69 | — | — | Text Range | p002 · Structural description · Fig. 1c; Table S3 |
| R1 final index | R1 = 0.0417 | — | — | SI Table Exact Reported | p002 · Table S1 · Table S1 |
| space group | P212121 | — | — | SI Table Exact Reported | p002 · Table S1 · Table S1 |
| Z | 4 | — | — | SI Table Exact Reported | p002 · Table S1 · Table S1 |