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| a (Å) | b (Å) | c (Å) | α (°) | β (°) | γ (°) | V (Å3) | d (g cm–3) | ||
|---|---|---|---|---|---|---|---|---|---|
| Na-cyclo-N5– | calc. | 6.85 | 13.84 | 7.02 | 90 | 90 | 90 | 665.52 | 1.473 |
| expt.25 | 6.91 | 13.87 | 6.93 | 90 | 90 | 90 | 664.00 | 1.471 | |
| error (%) | –0.87 | –0.22 | 1.29 | 0 | 0 | 0 | 0.23 | 0.14 | |
| Mg-cyclo-N5– | calc. | 7.17 | 7.23 | 8.90 | 91.27 | 103.97 | 118.55 | 388.18 | 1.48 |
| expt.25 | 7.18 | 7.20 | 9.26 | 90.77 | 107.12 | 117.68 | 398.28 | 1.44 | |
| error (%) | –0.14 | 0.42 | –3.89 | 0.55 | –2.94 | 0.74 | –2.54 | 2.78 |
