Measurement evidence
Improved electrical conductivity of Co(ii) and Cu(ii) ladder polymers in the fabrication of photoresponsive Schottky devices · Dutta B., Das D., Raksha K. et al. · Materials Advances · 2022 · 215-222
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Co-CP brown block-shaped crystals · Single Crystal
Simulated pattern compared with as-synthesised Co-CP pattern.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD phase comparison | simulated Co-CP (black), as-synthesised Co-CP (blue) | — | — | Caption Qualitative | 12 · General methods · Fig. S7-S8 |
Co-CP brown block-shaped crystals · Single Crystal
Single crystals measured; SI reports hkl range -19<h<19, -31<k<31, -20<l<20; CIF at 273 K.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CIF chemical formula sum | C78 H66 Co2 N8 O11 | — | — | Table Exact Reported | data_BD_CO_BD1_NAPHACID_a |
| Co...Co distance in SBU | 4.3064 A | — | — | Text Exact Reported | 216 · Structural description of [Co2(bpd)2(nac)2]·2CH3OH·H2O (Co-CP) · Fig. 1-2 |
| reported solvate formula | [Co2(bpd)2(nac)2]·2CH3OH·H2O | — | — | Text Exact Reported | 215 · Abstract |
| bpd pi...pi centroid distance | 3.986 A | — | — | Text Exact Reported | 216 · Structural description of [Co2(bpd)2(nac)2]·2CH3OH·H2O (Co-CP) · Fig. 1-2 |
| supramolecular pi...pi centroid distance range | 3.766-3.849 A | — | — | Text Range | 216 · Structural description of [Co2(bpd)2(nac)2]·2CH3OH·H2O (Co-CP) · Fig. 1-2 |
| Dcalcd | 1.325 | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| GOF on F2 | 1.144 | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| R1 I gt 2sigma | R1 = 0.0536 | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| Z | 4 | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| a | 16.4018(15) | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| alpha | 90 | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| b | 26.468(3) | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| beta | 105.290(3) | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| c | 16.8967(16) | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| cell volume | 7075.7(12) | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| gamma | 90 | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| wR2 I gt 2sigma | wR2 = 0.1309 | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| space group | C2/c | — | — | SI Table Exact Reported | 4 · General X-ray Crystallography · Table S1 |
| framework dimensionality | one-dimensional (1D) ladder polymer | — | — | Text Qualitative | 216 · Structural description of [Co2(bpd)2(nac)2]·2CH3OH·H2O (Co-CP) · Fig. 1-2 |
Cu-CP green block-shaped crystals · Single Crystal
Simulated pattern compared with as-synthesised Cu-CP pattern.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD phase comparison | simulated Cu-CP (black), as-synthesised Cu-CP (red) | — | — | Caption Qualitative | 12 · General methods · Fig. S7-S8 |
Cu-CP green block-shaped crystals · Single Crystal
Single crystals measured; SI reports hkl range -16<h<16, -18<k<18, -18<l<18; CIF at 273 K.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| C-H...pi edge-to-face distance range | 3.023-3.160 A | — | — | Text Range | 217 · Structural description of [Cu2(bpd)2(nac)2]·2CH3CN·2H2O (Cu-CP) · Fig. 3-4 |
| CIF chemical formula sum | C118 H94 Cu3 N14 O14 | — | — | Table Exact Reported | data_BD_CU_BD1_NAPHACID_a |
| Cu...Cu distance in SBU | 3.4843(6) A | — | — | Text Exact Reported | 217 · Structural description of [Cu2(bpd)2(nac)2]·2CH3CN·2H2O (Cu-CP) · Fig. 3-4 |
| reported solvate formula | [Cu2(bpd)2(nac)2]·2CH3CN·2H2O | — | — | Text Exact Reported | 215 · Abstract |
| bpd pi...pi centroid distance | 3.776 A | — | — | Text Exact Reported | 217 · Structural description of [Cu2(bpd)2(nac)2]·2CH3CN·2H2O (Cu-CP) · Fig. 3-4 |
| framework face-to-face pi...pi centroid distance | 3.834 A | — | — | Text Exact Reported | 217 · Structural description of [Cu2(bpd)2(nac)2]·2CH3CN·2H2O (Cu-CP) · Fig. 3-4 |
| Dcalcd | 1.314 | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| GOF on F2 | 1.090 | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| R1 I gt 2sigma | R1 = 0.0599 | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| Z | 1 | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| a | 13.7133(12) | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| alpha | 64.399(2) | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| b | 15.3391(13) | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| beta | 76.000(3) | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| c | 15.7844(13) | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| cell volume | 2682.7(4) | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| gamma | 63.866(2) | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| wR2 I gt 2sigma | wR2 = 0.1739 | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| space group | P-1 | — | — | SI Table Exact Reported | 6 · General X-ray Crystallography · Table S3 |
| framework dimensionality | combination of 1D chains and 1D ladder polymers | — | — | Text Qualitative | 217 · Structural description of [Cu2(bpd)2(nac)2]·2CH3CN·2H2O (Cu-CP) · Fig. 3-4 |