Measurement evidence
Multifunctional coordination polymers based on copper with modified nucleobases, easily modulated in size and conductivity · Vegas V.G., Maldonado N., Castillo O. et al. · Journal of Inorganic Biochemistry · 2019 · 110805
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
nanoCP1 supernatant flakes · Nanosheet
IR spectroscopy and powder X-ray diffraction of CP1 before and after sonication.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CP1 structure retained after nanoprocessing | change only in dimension, not in structure | — | — | Text Qualitative | 6 · 3.2.2. Nanoprocessing · Figs. S11-S12 |
CP1 polycrystalline/powder sample · Powder
PANalytical X'Pert PRO MPD theta/2theta; experimental pattern compared with simulated pattern.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CP1 PXRD phase match | microcrystalline solid structure matches single-crystal X-ray diffraction structure | — | — | Text Qualitative | 3 · 2.1. Synthesis of CP1 · Fig. S1 |
CP1 turquoise needle-shaped single crystals · Single Crystal
Mo Kalpha radiation, lambda = 0.71073 A; Bruker Kappa Apex II; SADABS correction; SIR92/SHELXL refinement.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CP1 unit-cell volume | 786.36(10) A^3 | — | (10) | SI Table Exact Reported | 1 · Datablock: compound-cp1 · checkCIF report |
| CP1 calculated crystal density | Dc = 1.672 Mg m^-3 | — | — | SI Table Exact Reported | 1 · Table S1 · Table S1 |
| CP1 coordination polymer dimensionality | corrugated 2D coordination polymer | — | — | Text Qualitative | 3 · 3.1. Structural studies · Fig. 3 |
| CP1 N3-H3...O2 hydrogen bond D...A distance | 2.843(5) A, angle 173 deg | — | (5); angle 173 deg | SI Table Exact Reported | 4 · Table S3 · Table S3 |
| CP1 R factor | R(reflections)=0.0413 (2521) | — | — | SI Table Exact Reported | 1 · Datablock: compound-cp1 · checkCIF report |
| CP1 Rint | Rint = 0.0533 | — | — | SI Table Exact Reported | 2 · Table S1 · Table S1 |
| CP1 space group | P -1 | — | — | SI Table Exact Reported | 1 · Datablock: compound-cp1 · checkCIF report |
| CP1 crystallographic void percentage | 9.9% | — | — | Text Exact Reported | 4 · 3.1. Structural studies · Fig. 3c |
CP2 light-blue single crystals · Single Crystal
Experimental PXRD pattern compared with simulated pattern.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CP2 PXRD phase match | microcrystalline solid structure matches single-crystal X-ray diffraction structure | — | — | Text Qualitative | 3 · 2.3. Synthesis of CP2 · Fig. S4 |
CP2 light-blue single crystals · Single Crystal
Mo Kalpha radiation, lambda = 0.71073 A; Bruker Kappa Apex II; SADABS correction; SIR92/SHELXL refinement.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CP2 unit-cell volume | 718.26(8) A^3 | — | (8) | SI Table Exact Reported | 3 · Datablock: compound-cp2 · checkCIF report |
| CP2 calculated crystal density | Dc = 1.724 Mg m^-3 | — | — | SI Table Exact Reported | 1 · Table S1 · Table S1 |
| CP2 coordination polymer dimensionality | corrugated 2D coordination polymer | — | — | Text Qualitative | 3 · 3.1. Structural studies · Fig. 3 |
| CP2 N3-H3...O2 hydrogen bond D...A distance | 2.928(3) A, angle 175 deg | — | (3); angle 175 deg | SI Table Exact Reported | 4 · Table S3 · Table S3 |
| CP2 R factor | R(reflections)=0.0286 (2347) | — | — | SI Table Exact Reported | 3 · Datablock: compound-cp2 · checkCIF report |
| CP2 Rint | Rint = 0.0302 | — | — | SI Table Exact Reported | 2 · Table S1 · Table S1 |
| CP2 space group | P -1 | — | — | SI Table Exact Reported | 3 · Datablock: compound-cp2 · checkCIF report |
| CP2 crystallographic void percentage | 13.2% in text; Fig. 3e label appears as 12.3% | — | source discrepancy | Text Uncertain | 5 · 3.2.1. Electrical properties · Fig. 3e |
CP3 yellow single crystals · Single Crystal
Experimental PXRD pattern compared with simulated pattern.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CP3 PXRD phase match | microcrystalline solid structure matches single-crystal X-ray diffraction structure | — | — | Text Qualitative | 3 · 2.4. Synthesis of CP3 · Fig. S6 |
CP3 yellow single crystals · Single Crystal
Mo Kalpha radiation, lambda = 0.71073 A; Bruker Kappa Apex II; SADABS correction; SIR92/SHELXL refinement.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CP3 unit-cell volume | 599.35(2) A^3 | — | (2) | SI Table Exact Reported | 5 · Datablock: compound-cp3 · checkCIF report |
| CP3 short Cu1...Cu1 distance | Cu1...Cu1 = 3.0256(7) A | — | (7) | SI Table Exact Reported | 4 · Table S4 · Table S4 |
| CP3 calculated crystal density | Dc = 1.800 Mg m^-3 | — | — | SI Table Exact Reported | 1 · Table S1 · Table S1 |
| CP3 coordination polymer dimensionality | 1D coordination polymer | — | — | Text Qualitative | 4 · 3.1. Structural studies · Fig. 4 |
| CP3 thymine-thymine pi-stacking centroid distance | DC = 3.93 A; interplanar distance DZ = 3.20 A | — | — | SI Table Exact Reported | 5 · Table S5 · Table S5 |
| CP3 R factor | R(reflections)=0.0238 (1964) | — | — | SI Table Exact Reported | 6 · Datablock: compound-cp3 · checkCIF report |
| CP3 Rint | Rint = 0.0330 | — | — | SI Table Exact Reported | 2 · Table S1 · Table S1 |
| CP3 space group | P -1 | — | — | SI Table Exact Reported | 5 · Datablock: compound-cp3 · checkCIF report |