Dipole vector (in atomic units): 6.28 -63.96 97.07
Mass Moments vector: 926.07 626.70 555.86
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| No. of Chains=1 | Elongated | CRYSTAL STRUCTURE OF UNLIGANDED MURA (TYPE2) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 3204. | 418. | 416.25 | 44. | 51. | -7. | 559. | 5195. | -0.0022 | 0.1745 |
| No.Dev.Units | 1.22 | 1.29 | 1.02 | 1.15 | 1.17 | -0.49 | 0.04 | 0.82 | -0.14 | -0.69 |
| Dipole vector (in atomic units): 6.28 -63.96 97.07 Mass Moments vector: 926.07 626.70 555.86
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