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mayingzhao2木蟲 (正式寫手)
Hugo
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[求助]
求解一個只差一步之遙就解出來的晶體!空間群總是錯誤,配體都已可見!
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| 本人有這樣一個晶體!原料為 均苯四甲酸,Cd(NO3)2·4H2O,5-氨基間苯二甲酸,Eu,高氯酸,本人已經(jīng)將work文件夾上傳!感謝好心人! |
數(shù)據(jù) |

木蟲 (著名寫手)
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這個是ins文件,還是用你的hkl,你在自己弄一下吧, R1= 3。77% TITL CF solution in P-1 CELL 0.71073 7.2881 10.0236 11.1517 98.497 106.468 108.908 ZERR 2 0.0009 0.0012 0.0013 0.001 0.001 0.001 LATT 1 SFAC C H N O Cd Eu Zn K UNIT 50 0 4 16 2 0 1 1 L.S. 4 PLAN 10 BOND fmap 2 EXTI 0 REM WGHT 0.1 FVAR 0.18482 Eu1 6 0.81332 0.54476 0.07925 11.00000 0.01096 0.01642 0.01180 = 0.00507 0.00478 0.00744 O2 4 0.87474 0.34232 -0.02344 11.00000 0.01303 0.01580 0.02812 = 0.00624 0.00654 0.00585 O3 4 0.29404 0.46342 0.14969 11.00000 0.01642 0.03890 0.01530 = 0.01074 0.00610 0.01294 O4 4 0.77108 0.63717 0.28570 11.00000 0.02964 0.03615 0.02546 = 0.01406 0.01564 0.01474 O5 4 0.52579 -0.35514 0.03704 11.00000 0.01993 0.01571 0.02210 = 0.00753 0.00818 0.01006 O6 4 0.08613 0.52546 0.24202 11.00000 0.02092 0.04962 0.01924 = 0.01505 0.01068 0.02234 O7 4 0.84235 -0.19986 0.07916 11.00000 0.01603 0.02232 0.05746 = 0.01478 0.01528 0.01187 O8 4 0.71024 0.17938 -0.21226 11.00000 0.09330 0.03811 0.03048 = -0.00386 0.02484 0.00194 O9 4 0.67266 0.39889 0.23018 11.00000 0.02734 0.03924 0.02501 = 0.01056 0.01637 0.01655 C2 1 0.65255 -0.22878 0.04857 11.00000 0.01359 0.01936 0.03038 = 0.00803 0.01031 0.00920 C4 1 0.67828 0.51350 0.29707 11.00000 0.01098 0.04347 0.01910 = 0.01358 0.00705 0.01587 C6 1 0.30019 0.49592 0.47770 11.00000 0.01561 0.04907 0.01514 = 0.01590 0.00790 0.01854 C8 1 0.24110 0.49522 0.24516 11.00000 0.01349 0.03360 0.01356 = 0.01148 0.00754 0.01273 C9 1 0.68481 0.00437 -0.01480 11.00000 0.01812 0.01703 0.04435 = 0.01196 0.01495 0.00946 C10 1 0.73768 0.22107 -0.09748 11.00000 0.02010 0.01605 0.02383 = 0.00429 0.00577 0.00999 C11 1 0.58083 0.50446 0.40125 11.00000 0.02067 0.03671 0.01385 = 0.01223 0.00877 0.01663 C12 1 0.37843 0.49784 0.37659 11.00000 0.02046 0.03215 0.01391 = 0.01102 0.00862 0.01580 C13 1 0.61418 0.11463 -0.04055 11.00000 0.01816 0.01440 0.03260 = 0.00901 0.01107 0.00656 C14 1 0.57075 -0.11234 0.02479 11.00000 0.01685 0.01441 0.03451 = 0.00590 0.00952 0.00766 K2 8 0.46049 -0.00788 -0.38453 11.00000 0.08712 0.02389 0.03913 = -0.01769 -0.02487 0.02463 O1 4 0.24342 0.10729 -0.39693 11.00000 0.19807 0.11869 0.20789 = -0.02044 -0.03234 0.09673 O10 4 0.23242 -0.17624 -0.31417 11.00000 0.28652 0.11358 0.11051 = 0.03371 0.04652 0.11311 O11 4 0.25344 -0.16286 -0.55938 11.00000 0.29430 0.13572 0.09272 = 0.02464 0.09126 0.07239 O12 4 0.91981 0.90985 0.70716 11.00000 0.18601 0.16340 0.23349 = -0.01631 0.00126 0.02587 O13 4 0.57415 -0.15392 -0.30457 11.00000 0.46416 0.12211 0.18521 = -0.01391 0.02707 0.09855 HKLF 4 END |

木蟲 (正式寫手)
Hugo

木蟲 (著名寫手)

木蟲 (正式寫手)
Hugo

木蟲 (著名寫手)

木蟲 (正式寫手)
Hugo

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