Measurement evidence
Construction of a Succinate-Bridged Cd(II)-Based Two-Dimensional Coordination Polymer for Efficient Optoelectronic Device Fabrication and Explosive Sensing Application · Dutta B., Hazra A., Dey A. et al. · Crystal Growth and Design · 2020 · 765-776
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
As-synthesised bulk compound 1 powder/crystals · Powder
Finely ground as-synthesised sample at room temperature compared with simulated single-crystal pattern.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD phase purity | Almost all major as-synthesised PXRD peaks match simulated single-crystal data | — | — | Text Qualitative | 767 · Thermal Stability and Purity · Figure S5 |
Yellow needle-shaped single crystals of compound 1 · Single Crystal
Crystal dimensions 0.112 x 0.101 x 0.097 mm; room temperature 296(2) K; hkl range -18<h<17, -19<k<19, -14<l<14.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Absorption coefficient | 0.733 mm-1 | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| Cd01-N1 bond length | 2.334(3) A | — | — | SI Table Exact Reported | S4 · Table S2 · Table S2 |
| Cd01-N2 bond length | 2.337(3) A | — | — | SI Table Exact Reported | S4 · Table S2 · Table S2 |
| Cd01-O1 bond length | 2.250(4) A | — | — | SI Table Exact Reported | S4 · Table S2 · Table S2 |
| Cd01-O2_b bond length | 2.300(3) A | — | — | SI Table Exact Reported | S4 · Table S2 · Table S2 |
| Cd01-O3_c bond length | 2.383(3) A | — | — | SI Table Exact Reported | S4 · Table S2 · Table S2 |
| Cd01-O4_c bond length | 2.432(3) A | — | — | SI Table Exact Reported | S4 · Table S2 · Table S2 |
| Unit-cell a | 15.8554(6) A | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| Unit-cell alpha | 90 deg | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| Unit-cell b | 16.5751(6) A | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| Unit-cell beta | 105.363(2) deg | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| Unit-cell c | 12.6115(5) A | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| Unit-cell gamma | 90 deg | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| Unit-cell volume | 3195.9(2) A3 | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| Crystal system | Monoclinic | — | — | SI Table Qualitative | S3 · Table S1 · Table S1 |
| Data/parameters | 5604/436 | — | — | SI Table Qualitative | S3 · Table S1 · Table S1 |
| Calculated density | 1.492 g/cm3 | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| F(000) | 1468 | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| GOF on F2 | 1.088 | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| Cd2-dimer rectangle side length | 9.281 A | — | — | Text Exact Reported | 767 · Structural Descriptions · Figure 1b |
| Cd2-dimer rectangle width | 8.409 A | — | — | Text Exact Reported | 767 · Structural Descriptions · Figure 1b |
| X-ray wavelength | 0.71073 A | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| N1-Cd01-N2 bond angle | 177.68(11) deg | — | — | SI Table Exact Reported | S4 · Table S2 · Table S2 |
| O2_b-Cd01-O4_c bond angle | 150.58(10) deg | — | — | SI Table Exact Reported | S4 · Table S2 · Table S2 |
| R1 final index | R1 = 0.0383 | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| SCXRD temperature | 296(2) K | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| Space group | P21/c | — | — | SI Table Qualitative | S3 · Table S1 · Table S1 |
| Framework topology | 2D rectangular-grid sheetlike (4,4) net; 3D supramolecular architecture via C-H...pi and pi...pi | — | — | Text Qualitative | 767 · Structural Descriptions · Figure 1 |
| wR2 final index | wR2 = 0.1117 | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |
| Z | 2 | — | — | SI Table Exact Reported | S3 · Table S1 · Table S1 |