Table 1. Selected Crystallographic Data for NxxCl (Full Details Available; Table S1, Supporting Information).
| structure | crystal system; space group | Z′ | volume (Å3) | R, wR2R-factors,a GoF |
|---|---|---|---|---|
| NppCl·H2O | orthorhombic; Pbca | 1 | 2344.89(8) | 0.042, 0.108, 1.03 |
| NpmCl | monoclinic; P21/n | 1 | 1090.45(4) | 0.035, 0.102, 1.07 |
| NpoCl | monoclinic; Cc | 1 | 1108.06(11) | 0.026, 0.067, 1.10 |
| NmpCl | monoclinic; P21 | 1 | 531.27(3) | 0.043, 0.114, 1.03 |
| NmmCl | monoclinic; P21/n | 1 | 1068.45(4) | 0.038, 0.115, 1.11 |
| NmoCl | monoclinic; P21/c | 1 | 1078.89(9) | 0.066, 0.149, 1.08 |
| NopCl | triclinic; P1̅ | 1 | 543.73(3) | 0.038, 0.105, 1.05 |
| NomCl | triclinic; P1̅ | 1 | 532.00(5) | 0.038. 0.124, 1.08 |
| NooCl | orthorhombic; Pbca | 1 | 2226.2(11) | 0.051, 0.120, 0.89 |
a
R-factor definitions as R[F2 > 2σ(F2)], wR(F2).60