Measurement evidence
Structural Control of Photoconductivity in a Flexible Titanium-Organic Framework · Chinchilla-Garzon C., Galbiati M., Misturini A. et al. · Advanced Materials · 2025 · 2412045
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
MUV-35-c closed phase · Single Crystal
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| checkCIF closed alert counts | 0 A, 6 B, 22 C, 93 G | — | — | Table Exact Reported | 5 · checkCIF report |
| checkCIF closed data completeness | 0.949 | — | — | Table Exact Reported | 1 · checkCIF report |
MUV-35-i intermediate phase · Single Crystal
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| checkCIF intermediate alert counts | 0 A, 1 B, 20 C, 101 G | — | — | Table Exact Reported | 5 · checkCIF report |
| checkCIF intermediate data completeness | 0.996 | — | — | Table Exact Reported | 1 · checkCIF report |
MUV-35-o open phase · Single Crystal
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| checkCIF open alert counts | 0 A, 6 B, 28 C, 88 G | — | — | Table Exact Reported | 5 · checkCIF report |
| checkCIF open data completeness | 0.992 | — | — | Table Exact Reported | 1 · checkCIF report |
MUV-35-c closed phase · Single Crystal
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Le Bail MUV-35-c Rwp | 2.62% | — | — | SI Table Exact Reported | 21 · S.4.6 · Table S5 |
| Le Bail MUV-35-c volume | 9508.620 Å3 | — | — | SI Table Exact Reported | 21 · S.4.6 · Table S5 |
MUV-35-o open phase · Single Crystal
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Le Bail MUV-35-o Rwp | 3.11% | — | — | SI Table Exact Reported | 21 · S.4.6 · Table S5 |
| Le Bail MUV-35-o volume | 15722.137 Å3 | — | — | SI Table Exact Reported | 21 · S.4.6 · Table S5 |
as-made MUV-35 crystals · Single Crystal
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD solvent/dry phase assignment | solvent matches MUV-35-o; dry matches MUV-35-c; dry/acetone far from MUV-35-i | — | — | Text Qualitative | 19 · S.4.5 · Figure S13 |
| long-term PXRD phase stability | open and closed phases maintained for near to two years under solvent/dry conditions | — | — | Text Approximate | 19 · S.4.5 · Figure S14 |
as-made MUV-35 crystals · Single Crystal
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| a-axis compression from open to closed | Δa = 11.3 Å; Δd = -11.03 Å | — | — | Text Approximate | 7 · Results and discussion |
| BTT interplanar distance in intermediate/as-made packing | 3.55 Å | — | — | Caption Rounded Reported | 4 · Results and discussion · Figure 2c |
| closed-phase BTT plane distances | 3.44 and 3.13 Å | — | — | Text Range | 8 · Results and discussion |
| c-axis elongation from open to closed | up to 4.5 Å | — | — | Text Approximate | 7 · Results and discussion |
| open-to-closed cell-volume compression | near to 37% | — | — | Text Approximate | 7 · Results and discussion · Figure 3a |
| closed-channel internal diameter | about 8 Å | — | — | Text Approximate | 7 · Results and discussion |
| MUV-35-c empirical formula | C46.5H45MnO12.5S3Ti0.5 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-i empirical formula | C60H79MnN9O16S3Ti0.5 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-o empirical formula | C52.5H61.5MnN6.5O13.5S3Ti0.5 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| open-channel pore opening diameter | approximately 13 Å | — | — | Text Approximate | 5 · Results and discussion |
| MUV-35-c a-axis | 13.0202(5) Å | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-c b-axis | 20.8095(6) Å | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-c c-axis | 35.5520(7) Å | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-c CCDC number | 2373156 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-c calculated density | 1.35 g cm-3 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-c unit-cell volume | 9630.9(5) Å3 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-i a-axis | 21.801(4) Å | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-i b-axis | 20.810(4) Å | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-i c-axis | 32.574(7) Å | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-i CCDC number | 2373155 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-i calculated density | 1.22 g cm-3 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-i unit-cell volume | 14777(5) Å3 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-o a-axis | 24.3369(8) Å | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-o b-axis | 20.6941(6) Å | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-o c-axis | 31.1259(10) Å | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-o CCDC number | 2373154 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-o calculated density | 0.996 g cm-3 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |
| MUV-35-o unit-cell volume | 15673.5(9) Å3 | — | — | SI Table Exact Reported | 17 · S.4.1 · Table S3 |