登録構造単位 |
| 分子量 (理論値) | 分子数 |
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合計 (水以外) | 20,936 | 4 |
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ポリマ- | 20,613 | 1 |
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非ポリマー | 324 | 3 |
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水 | 3,927 | 218 |
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1 | x 6
| 分子量 (理論値) | 分子数 |
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合計 (水以外) | 125,617 | 24 |
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ポリマ- | 123,676 | 6 |
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非ポリマー | 1,942 | 18 |
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水 | 108 | 6 |
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タイプ | 名称 | 対称操作 | 数 |
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identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_555 | -y,x-y,z | 1 | crystal symmetry operation | 3_555 | -x+y,-x,z | 1 | crystal symmetry operation | 4_555 | y,x,-z | 1 | crystal symmetry operation | 5_555 | x-y,-y,-z | 1 | crystal symmetry operation | 6_555 | -x,-x+y,-z | 1 |
Buried area | 21630 Å2 |
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ΔGint | -332 kcal/mol |
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Surface area | 39720 Å2 |
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手法 | PISA |
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単位格子 | Length a, b, c (Å) | 141.489, 141.489, 53.601 |
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Angle α, β, γ (deg.) | 90.000, 90.000, 120.000 |
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Int Tables number | 155 |
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Space group name H-M | H32 |
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Space group name Hall | R32" |
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Symmetry operation | #1: x,y,z #2: -y,x-y,z #3: -x+y,-x,z #4: x-y,-y,-z #5: -x,-x+y,-z #6: y,x,-z #7: x+1/3,y+2/3,z+2/3 #8: -y+1/3,x-y+2/3,z+2/3 #9: -x+y+1/3,-x+2/3,z+2/3 #10: x-y+1/3,-y+2/3,-z+2/3 #11: -x+1/3,-x+y+2/3,-z+2/3 #12: y+1/3,x+2/3,-z+2/3 #13: x+2/3,y+1/3,z+1/3 #14: -y+2/3,x-y+1/3,z+1/3 #15: -x+y+2/3,-x+1/3,z+1/3 #16: x-y+2/3,-y+1/3,-z+1/3 #17: -x+2/3,-x+y+1/3,-z+1/3 #18: y+2/3,x+1/3,-z+1/3 |
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Components on special symmetry positions | ID | モデル | 要素 |
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1 | 1 | A-347-![](data/chem/img/HOH.gif) HOH | 2 | 1 | A-418-![](data/chem/img/HOH.gif) HOH | 3 | 1 | A-461-![](data/chem/img/HOH.gif) HOH | 4 | 1 | A-466-![](data/chem/img/HOH.gif) HOH | 5 | 1 | A-467-![](data/chem/img/HOH.gif) HOH | 6 | 1 | A-482-![](data/chem/img/HOH.gif) HOH | 7 | 1 | A-512-![](data/chem/img/HOH.gif) HOH | 8 | 1 | A-513-![](data/chem/img/HOH.gif) HOH |
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