Measurement evidence
A novel lamella 2D Ag(I) coordination polymer of graphite-like structure featuring short interlayer distance · Sun D., Luo G.-G., Xu Q.-J. et al. · Inorganic Chemistry Communications · 2009 · 782-784
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Bulk powder/crystalline solid of 1 · Powder
Philips X'Pert Pro MPD diffractometer with Cu Kalpha radiation and X'Celerator detector.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD phase purityMarked as a best value within this paper | Experimental PXRD pattern is consistent with simulated pattern from single-crystal data. | — | — | Text Qualitative | 1 · Characterisation discussion · Fig. S2 |
Pale yellow block crystals of 1 · Single Crystal
Bruker SMART 2000 CCD, omega scan, Mo Kalpha radiation lambda = 0.71073 Angstrom; article reference note reports 173(2) K; CIF metadata reports 298(2) K.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Unit-cell a axisMarked as a best value within this paper | a = 11.2102(7) Angstrom | — | (7) | Text Exact Reported | CIF cell |
| Ag-N bond length maximum | Ag-N = 2.189(5)-2.395(6) Angstrom | — | (6) | Text Range | 2 · Structure description · Table S1 |
| Ag-N bond length minimum | Ag-N = 2.189(5)-2.395(6) Angstrom | — | (5) | Text Range | 2 · Structure description · Table S1 |
| Ag-O bond length maximum | Ag-O = 2.217(4)-2.279(5) Angstrom | — | (5) | Text Range | 2 · Structure description · Table S1 |
| Ag-O bond length minimum | Ag-O = 2.217(4)-2.279(5) Angstrom | — | (4) | Text Range | 2 · Structure description · Table S1 |
| Ag to APYZ pyrazinyl-ring contactMarked as a best value within this paper | 3.062(4) Angstrom | — | (4) | Text Exact Reported | 2 · Crystal packing discussion |
| Ag to BTC phenyl-ring contactMarked as a best value within this paper | 3.037(3) Angstrom | — | (3) | Text Exact Reported | 2 · Crystal packing discussion |
| Unit-cell alpha angleMarked as a best value within this paper | alpha = 95.616(6) deg | — | (6) | Text Exact Reported | CIF cell |
| Unit-cell b axisMarked as a best value within this paper | b = 14.1375(12) Angstrom in CIF; b = 14.138(1) Angstrom in article | — | (12) | Text Exact Reported | CIF cell |
| Unit-cell beta angleMarked as a best value within this paper | beta = 91.722(5) deg | — | (5) | Text Exact Reported | CIF cell |
| Unit-cell c axisMarked as a best value within this paper | c = 18.9648(10) Angstrom | — | (10) | Text Exact Reported | CIF cell |
| Unit-cell volumeMarked as a best value within this paper | V = 2833.4(3) Angstrom3 | — | (3) | Text Exact Reported | CIF cell |
| CIF formula sum | C42 H54 Ag6 N18 O21 | — | — | Text Exact Reported | CIF data_q |
| Calculated crystal density | Dc = 2.103 g cm-3 | — | — | Text Exact Reported | CIF experimental |
| Offset face-to-face interlayer distanceMarked as a best value within this paper | ca. 3.31 Angstrom | — | ca. | Text Approximate | 2 · Crystal packing discussion |
| Framework compositionMarked as a best value within this paper | Ag6(BTC)2(APYZ)6.9H2O | — | — | Text Exact Reported | 1 · Abstract |
| Unit-cell gamma angleMarked as a best value within this paper | gamma = 108.339(7) deg | — | (7) | Text Exact Reported | CIF cell |
| Interlayer distanceMarked as a best value within this paper | ca. 3.3 Angstrom | — | ca. | Text Approximate | 2 · Crystal packing discussion · Fig. 2c |
| Final R1 indexMarked as a best value within this paper | R1 = 0.0470 in article; CIF R(gt) = 0.0466 | — | — | Text Exact Reported | 3 · Reference 10 |
| Space groupMarked as a best value within this paper | triclinic P-1 (No. 2) | — | — | Text Exact Reported | CIF symmetry |
| Z valueMarked as a best value within this paper | Z = 2 | — | — | Text Exact Reported | CIF cell |