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yndxwkm

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[求助] cif导入Platon算出的LIS文件中的Pi-Pi堆积作用已有1人参与

审稿意见：
In the crystal structure of 1, π-π stacking interactions are analysed between layers. However, only 1 interaction is shown. There's probably much more interactions, please describe these properly (check PLATON listing)?
看不懂审稿人要我做什么？小白求助，所以请尽量详细点哦，谢谢

下面是cif导入Platon算出的LIS文件中的Pi-Pi堆积作用：
Analysis of Short Ring-Interactions with Cg-Cg Distances < 6.0 Angstrom and Beta < 60.0Deg.
====================================================================================================================================
- Cg(I) = Plane number I (= ring number in () above)
- Alpha = Dihedral Angle between Planes I and J (Deg)
- Beta    = Angle Cg(I)-->Cg(J) or Cg(I)-->Me vector and normal to plane I (Deg)
- Gamma = Angle Cg(I)-->Cg(J) vector and normal to plane J (Deg)
- Cg-Cg = Distance between ring Centroids (Ang.)
- CgI_Perp = Perpendicular distance of Cg(I) on ring J (Ang.)
- CgJ_Perp = Perpendicular distance of Cg(J) on ring I (Ang.)
- Slippage = Distance between Cg(I) and Perpendicular Projection of Cg(J) on Ring I (Ang).
- P,Q,R,S  = J-Plane Parameters for Carth. Coord. (Xo, Yo, Zo)

Cg(I) Res(I) Cg(J)  [ ARU(J)]    Cg-Cg Transformed J-Plane P, Q, R, S    Alpha  Beta Gamma CgI_Perp CgJ_Perp  Slippage

Cg(1)  [ 1] -> Cg(1)  [  2677.01] 3.534(2)  0.4433-0.8964-0.0024  -8.4940       0  20.0  20.0  3.3215(14)  3.3214(14) 1.208
Cg(1)  [ 1] -> Cg(3)  [  1555.01] 4.716(2)  0.9094 0.1727-0.3784  -5.9344 75.57(17)  55.8  57.4  2.5407(15) -2.6500(14)
Cg(1)  [ 1] -> Cg(4)  [  1556.01] 5.750(2)  0.0063-0.0922 0.9957  17.8120 85.2(2)  36.6  48.9 -3.7799(15) -4.6179(19)
Cg(1)  [ 1] -> Cg(4)  [  2666.01] 5.586(2) -0.0063 0.0922-0.9957 -10.1797 85.2(2)  48.5  46.4 -3.8524(15) -3.7035(19)
Cg(2)  [ 1] -> Cg(2)  [  2776.01] 3.888(3)  0.0995-0.9947-0.0245 -10.6871       0  28.2  28.2  3.4259(18)  3.4259(18) 1.838
Cg(2)  [ 1] -> Cg(4)  [  1555.01] 4.692(3)  0.0063-0.0922 0.9957 3.3284 86.1(2)  57.4  58.9  2.4226(16) -2.5264(19)
Cg(3)  [ 1] -> Cg(1)  [  1555.01] 4.716(2) -0.4433 0.8964 0.0024 5.1725 75.57(17)  57.4  55.8 -2.6500(14)  2.5407(15)
Cg(3)  [ 1] -> Cg(3)  [  2567.01] 3.623(2) -0.9094-0.1727 0.3784 9.2681       0  23.1  23.1 -3.3337(15) -3.3336(15) 1.420
Cg(3)  [ 1] -> Cg(4)  [  2666.01] 5.279(3) -0.0063 0.0922-0.9957 -10.1797 67.2(2)  20.2  47.1 -3.5928(15) 4.953(2)
Cg(4)  [ 1] -> Cg(1)  [  1554.01] 5.750(2) -0.4433 0.8964 0.0024 7.4774 85.2(2)  48.9  36.6 -4.6180(19) -3.7799(15)
Cg(4)  [ 1] -> Cg(1)  [  2666.01] 5.586(2)  0.4433-0.8964-0.0024 0.8439 85.2(2)  46.4  48.5 -3.7033(19) -3.8523(15)
Cg(4)  [ 1] -> Cg(2)  [  1555.01] 4.691(3) -0.0995 0.9947 0.0245 7.2611 86.1(2)  58.9  57.4 -2.5265(19)  2.4226(16)
Cg(4)  [ 1] -> Cg(3)  [  1554.01] 5.603(3)  0.9094 0.1727-0.3784 0.8741 67.2(2)  43.9  69.2 1.990(2) -4.0394(15)
Cg(4)  [ 1] -> Cg(3)  [  2666.01] 5.279(3) -0.9094-0.1727 0.3784  -7.8168 67.2(2)  47.1  20.2 4.953(2) -3.5928(15)
                                 ----------                               --------------------------------------------
                        Min or Max  3.534                                     0.0  20.0  69.2    -4.618    -4.618

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这个是文章里面我是这样写的：The 3D supramolecular architecture of compound LaL 1 is obtained from the interlayer π•••π stacking interactions between neighboring phenyl ring and benzene rings in adjacent layers. (centroid−centroid: 3.527 Å

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yndxwkm: 金币+10 2017-06-15 18:00:07

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2楼: Originally posted by yndxwkm at 2017-06-15 17:08:35
这个是文章里面我是这样写的：The 3D supramolecular architecture of compound LaL 1 is obtained from the interlayer π•••π stacking interactions between neighboring phenyl ring and be ...

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