Measurement evidence
Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks · Park S.S., Hontz E.R., Sun L. et al. · Journal of the American Chemical Society · 2015 · 1774-1777
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Cd2(TTFTB) dark red needle single crystals · Single Crystal
PXRD recorded on Bruker D8 Discover using Ni-filtered Cu-Kalpha radiation; samples on zero-background silicon plate.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Cd2(TTFTB) PXRD phase match / bulk homogeneity | PXRD confirmed homogeneity and isostructural match with Zn2(TTFTB) | — | — | Text Qualitative | p002 / article p.1775 · Results · Figure S2 |
Co2(TTFTB) dark red single crystals · Single Crystal
PXRD recorded on Bruker D8 Discover using Ni-filtered Cu-Kalpha radiation; samples on zero-background silicon plate.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Co2(TTFTB) PXRD phase match / bulk homogeneity | PXRD confirmed homogeneity and isostructural match with Zn2(TTFTB) | — | — | Text Qualitative | p002 / article p.1775 · Results · Figure S2 |
Mn2(TTFTB) dark red single crystals · Single Crystal
PXRD recorded on Bruker D8 Discover using Ni-filtered Cu-Kalpha radiation; samples on zero-background silicon plate.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Mn2(TTFTB) PXRD phase match / bulk homogeneity | PXRD confirmed homogeneity and isostructural match with Zn2(TTFTB) | — | — | Text Qualitative | p002 / article p.1775 · Results · Figure S2 |
Zn2(TTFTB) single crystals · Single Crystal
PXRD recorded on Bruker D8 Discover using Ni-filtered Cu-Kalpha radiation; samples on zero-background silicon plate.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Zn2(TTFTB) PXRD phase match / bulk homogeneity | PXRD confirmed homogeneity and isostructural match with Zn2(TTFTB) | — | — | Text Qualitative | p002 / article p.1775 · Results · Figure S2 |
Cd2(TTFTB) dark red needle single crystals · Single Crystal
Low-temperature data collected on a Siemens three-circle diffractometer/Bruker APEX CCD; structure solved with SHELXS and refined with SHELXL-97.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CD2 C1-C2 bond distance | 1.317(7) | — | (7) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| Cd2(TTFTB) Cd-O-Cd bond angle for bridging water | 92.824(211) | — | (211) | Text Exact Reported | p004 / SI p.S4 · X-ray diffraction studies · Figure S8 |
| Cd2(TTFTB) unit-cell volume | 6906(2) | — | — | SI Table Exact Reported | p016 / SI p.S16 · X-ray experimental details · Table S3 |
| Cd2(TTFTB) SCXRD goodness-of-fit on F2 | 1.048 | — | — | SI Table Exact Reported | p016 / SI p.S16 · X-ray experimental details · Table S3 |
| Cd2(TTFTB) M(II) ionic radius | 109 | — | — | Table Exact Reported | p003 / article p.1776 · Results · Table 1 |
| Cd2(TTFTB) SCXRD R1 | 0.0387 | — | — | SI Table Exact Reported | p016 / SI p.S16 · X-ray experimental details · Table S3 |
| CD2 S1-C1 bond distance | 1.751(5) | — | (5) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| CD2 S2-C1 bond distance | 1.755(5) | — | (5) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| CD2 S3-C2 bond distance | 1.760(5) | — | (5) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| CD2 S4-C2 bond distance | 1.753(5) | — | (5) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| Cd2(TTFTB) SCXRD space group | P 65 | — | — | SI Table Exact Reported | p016 / SI p.S16 · X-ray experimental details · Table S3 |
| Cd2(TTFTB) shortest inter-TTF S...S distance | 3.6538(23) | — | (23) | Table Exact Reported | p003 / article p.1776 · Results · Table 1 |
| Cd2(TTFTB) unit-cell a | 19.600(3) | — | — | SI Table Exact Reported | p016 / SI p.S16 · X-ray experimental details · Table S3 |
| Cd2(TTFTB) unit-cell c | 20.760(3) | — | — | SI Table Exact Reported | p016 / SI p.S16 · X-ray experimental details · Table S3 |
| Cd2(TTFTB) SCXRD wR2 | 0.0969 | — | — | SI Table Exact Reported | p016 / SI p.S16 · X-ray experimental details · Table S3 |
Co2(TTFTB) dark red single crystals · Single Crystal
Low-temperature data collected on a Siemens three-circle diffractometer/Bruker APEX CCD; structure solved with SHELXS and refined with SHELXL-97.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CO2 C1-C2 bond distance | 1.336(9) | — | (9) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| Co2(TTFTB) unit-cell volume | 6778.9(7) | — | — | SI Table Exact Reported | p014 / SI p.S14 · X-ray experimental details · Table S2 |
| Co2(TTFTB) SCXRD goodness-of-fit on F2 | 1.046 | — | — | SI Table Exact Reported | p014 / SI p.S14 · X-ray experimental details · Table S2 |
| Co2(TTFTB) M(II) ionic radius | 88.5 | — | — | Table Exact Reported | p003 / article p.1776 · Results · Table 1 |
| Co2(TTFTB) SCXRD R1 | 0.0374 | — | — | SI Table Exact Reported | p014 / SI p.S14 · X-ray experimental details · Table S2 |
| CO2 S1-C1 bond distance | 1.753(7) | — | (7) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| CO2 S2-C1 bond distance | 1.762(7) | — | (7) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| CO2 S3-C2 bond distance | 1.754(8) | — | (8) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| CO2 S4-C2 bond distance | 1.756(7) | — | (7) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| Co2(TTFTB) SCXRD space group | P 61 | — | — | SI Table Exact Reported | p014 / SI p.S14 · X-ray experimental details · Table S2 |
| Co2(TTFTB) shortest inter-TTF S...S distance | 3.7732(26) | — | (26) | Table Exact Reported | p003 / article p.1776 · Results · Table 1 |
| Co2(TTFTB) unit-cell a | 19.3867(7) | — | — | SI Table Exact Reported | p014 / SI p.S14 · X-ray experimental details · Table S2 |
| Co2(TTFTB) unit-cell c | 20.8268(15) | — | — | SI Table Exact Reported | p014 / SI p.S14 · X-ray experimental details · Table S2 |
| Co2(TTFTB) SCXRD wR2 | 0.0973 | — | — | SI Table Exact Reported | p014 / SI p.S14 · X-ray experimental details · Table S2 |
Mn2(TTFTB) dark red single crystals · Single Crystal
Low-temperature data collected on a Siemens three-circle diffractometer/Bruker APEX CCD; structure solved with SHELXS and refined with SHELXL-97.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| MN2 C1-C2 bond distance | 1.331(3) | — | (3) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| Mn2(TTFTB) unit-cell volume | 6788.5(4) | — | — | SI Table Exact Reported | p012 / SI p.S12 · X-ray experimental details · Table S1 |
| Mn2(TTFTB) SCXRD goodness-of-fit on F2 | 1.031 | — | — | SI Table Exact Reported | p012 / SI p.S12 · X-ray experimental details · Table S1 |
| Mn2(TTFTB) M(II) ionic radius | 97 | — | — | Table Exact Reported | p003 / article p.1776 · Results · Table 1 |
| Mn2(TTFTB) SCXRD R1 | 0.0313 | — | — | SI Table Exact Reported | p012 / SI p.S12 · X-ray experimental details · Table S1 |
| MN2 S1-C1 bond distance | 1.756(2) | — | (2) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| MN2 S2-C1 bond distance | 1.753(2) | — | (2) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| MN2 S3-C2 bond distance | 1.759(2) | — | (2) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| MN2 S4-C2 bond distance | 1.755(2) | — | (2) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| Mn2(TTFTB) SCXRD space group | P 65 | — | — | SI Table Exact Reported | p012 / SI p.S12 · X-ray experimental details · Table S1 |
| Mn2(TTFTB) shortest inter-TTF S...S distance | 3.6929(6) | — | (6) | Table Exact Reported | p003 / article p.1776 · Results · Table 1 |
| Mn2(TTFTB) unit-cell a | 19.4690(7) | — | — | SI Table Exact Reported | p012 / SI p.S12 · X-ray experimental details · Table S1 |
| Mn2(TTFTB) unit-cell c | 20.6804(8) | — | — | SI Table Exact Reported | p012 / SI p.S12 · X-ray experimental details · Table S1 |
| Mn2(TTFTB) SCXRD wR2 | 0.0782 | — | — | SI Table Exact Reported | p012 / SI p.S12 · X-ray experimental details · Table S1 |
Zn2(TTFTB) single crystals · Single Crystal
Main text uses the reported Zn structure as the reference isostructural framework; current paper reports S...S distance and compares PXRD.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| ZN2 C1-C2 bond distance | 1.326(5) | — | (5) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| Zn2(TTFTB) M(II) ionic radius | 88 | — | — | Table Exact Reported | p003 / article p.1776 · Results · Table 1 |
| ZN2 S1-C1 bond distance | 1.757(4) | — | (4) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| ZN2 S2-C1 bond distance | 1.753(4) | — | (4) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| ZN2 S3-C2 bond distance | 1.762(3) | — | (3) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| ZN2 S4-C2 bond distance | 1.757(3) | — | (3) | SI Table Exact Reported | p017 / SI p.S17 · Table S4 · Table S4 |
| Zn2(TTFTB) shortest inter-TTF S...S distance | 3.7568(13) | — | (13) | Table Exact Reported | p003 / article p.1776 · Results · Table 1 |