Dipole vector (in atomic units): 84.30 82.11 47.83
Mass Moments vector: 745.52 542.58 854.86
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| No. of Chains=1 | Elongated | CRYSTAL STRUCTURE OF UNLIGANDED MURA (TYPE1) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3231. | 418. | 419.12 | 44. | 51. | -7. | 610. | 2374. | -0.0022 | 0.1888 |
| No.Dev.Units | 1.25 | 1.29 | 1.04 | 1.15 | 1.17 | -0.49 | 0.16 | -0.03 | -0.13 | -0.64 |
| Dipole vector (in atomic units): 84.30 82.11 47.83 Mass Moments vector: 745.52 542.58 854.86
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