Measurement evidence
Cu/Fe-MOFs based on mixed ligands: Synthesis, crystal structure and electrocatalytic hydrogen evolution performance · Sun X., Yang L., Chen P. et al. · Journal of Molecular Structure · 2024 · 137968
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Cu-MOF single crystals · Single Crystal
Cu-MOF CIF datablock a and checkCIF/PLATON report; Mo K alpha radiation, wavelength 0.71073 A.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Cu-MOF checkCIF alert summary | 0 A, 0 B, 0 C, 11 G alerts | — | — | SI Table Exact Reported | 2 · Alert level summary · checkCIF/PLATON report |
Cu-MOF single crystals · Single Crystal
Main-text crystallographic data for Cu-MOF at 150 K; CCDC 2325549; monoclinic C2/c.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Cu-MOF beta angle | 118.189(3) deg | — | (3) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Cu-MOF CCDC number | 2325549 | — | — | Text Exact Reported | 3 · 3.1 Crystal structure |
| Cu-MOF unit-cell a | 27.7213(12) A | — | (12) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Cu-MOF unit-cell b | 6.8880(3) A | — | (3) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Cu-MOF unit-cell c | 16.2227(10) A | — | (10) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Cu-MOF empirical formula | C28H16Cu2N6O9S2 | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Cu-MOF formula weight | 771.67 | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Cu-MOF final R1 for I >= 2 sigma(I) | R1=0.0329 | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Cu-MOF independent reflections and Rint | 3124 (Rint=0.0823) | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Cu-MOF space group | C2/c | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Cu-MOF framework dimensionality | 3D network structure | — | — | Text Qualitative | 3 · 3.1 Crystal structure · Fig. 2 |
| Cu-MOF unit-cell volume | 2730.2(2) A3 | — | (2) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Cu-MOF final wR2 for I >= 2 sigma(I) | wR2=0.0681 | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Cu-MOF Z | 4 | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
Fe-MOF single crystals · Single Crystal
Fe-MOF CIF datablock exp_12385 and checkCIF/PLATON report; Cu K alpha radiation, wavelength 1.54184 A.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Fe-MOF checkCIF alert summary | 0 A, 0 B, 14 C, 10 G alerts | — | — | SI Table Exact Reported | 2 · Alert level summary · checkCIF/PLATON report |
| Fe-MOF checkCIF R(reflections) | 0.0557 (3968) | — | — | SI Table Exact Reported | 2 · Datablock exp_12385 · checkCIF/PLATON report |
| Fe-MOF unit-cell a in CIF/checkCIF | 10.4396(6) A | — | (6) | Text Exact Reported | CIF tags |
| Fe-MOF unit-cell volume in CIF/checkCIF | 1412.94(16) A3 | — | (16) | Text Exact Reported | CIF tags |
| Fe-MOF sum formula in CIF/checkCIF | C28H19FeN6O10S2 | — | — | SI Table Exact Reported | 1 · Datablock exp_12385 · checkCIF/PLATON report |
Fe-MOF single crystals · Single Crystal
As-prepared Fe-MOF powder XRD compared with simulated pattern from single-crystal XRD.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Fe-MOF powder XRD phase assignment | experimental pattern in good agreement with simulated pattern; pure phase | — | — | Text Qualitative | 4 · 3.2 X-ray diffraction (XRD) · Fig. 4b |
Fe-MOF single crystals · Single Crystal
Main-text crystallographic data for Fe-MOF; CCDC 2325550; triclinic P-1.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Fe-MOF alpha angle in main Table 1 | 96.034(2) deg | — | (2) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Fe-MOF beta angle in main Table 1 | 96.585(2) deg | — | (2) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Fe-MOF CCDC number | 2325550 | — | — | Text Exact Reported | 3 · 3.1 Crystal structure |
| Fe-MOF unit-cell a in main Table 1 | 10.4734(13) A | — | (13) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Fe-MOF unit-cell b in main Table 1 | 10.7879(13) A | — | (13) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Fe-MOF unit-cell c in main Table 1 | 13.1676(16) A | — | (16) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Fe-MOF empirical formula in Table 1 | C28H18FeN6O10S2 | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Fe-MOF formula in abstract/results text | C28H17FeN6O9S2 | — | — | Text Exact Reported | 1 · Abstract |
| Fe-MOF gamma angle in main Table 1 | 104.151(2) deg | — | (2) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Fe-MOF final R1 for I >= 2 sigma(I) in main Table 1 | R1=0.0444 | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Fe-MOF independent reflections and Rint in main Table 1 | 6256 (Rint=0.0132) | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Fe-MOF space group | P-1 | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Fe-MOF framework dimensionality | 2D laminar structure | — | — | Text Qualitative | 3 · 3.1 Crystal structure · Fig. 3 |
| Fe-MOF unit-cell volume in main Table 1 | 1419.3(3) A3 | — | (3) | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
| Fe-MOF final wR2 for I >= 2 sigma(I) in main Table 1 | wR2=0.1204 | — | — | Table Exact Reported | 3 · 3.1 Crystal structure · Table 1 |
Cu-MOF single crystals · Single Crystal
As-prepared Cu-MOF powder XRD compared with simulated pattern from single-crystal XRD.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Cu-MOF powder XRD phase assignment | experimental pattern in good agreement with simulated pattern; pure phase | — | — | Text Qualitative | 4 · 3.2 X-ray diffraction (XRD) · Fig. 4a |
| Powder XRD phase assignment for Cu-MOF and Fe-MOF | experimental patterns in good agreement with simulated ones; Cu-MOF and Fe-MOF were pure phase | — | — | Text Qualitative | 4 · 3.2 X-ray diffraction (XRD) · Fig. 4 |