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藍(lán)色悠云金蟲(chóng) (小有名氣)
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[求助]
哪位高手幫忙解析晶體。!急求急求。。 已有4人參與
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| 所有數(shù)據(jù)都在附件中,謝謝謝謝~ |
鐵桿木蟲(chóng) (正式寫(xiě)手)
鐵蟲(chóng) (著名寫(xiě)手)

金蟲(chóng) (小有名氣)
金蟲(chóng) (小有名氣)
捐助貴賓 (著名寫(xiě)手)
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Datablock: 1 Bond precision: C-C = 0.0095 A Wavelength=0.71073 Cell: a=10.5164(5) b=12.8313(7) c=16.3471(7) alpha=85.294(4) beta=75.727(4) gamma=68.298(5) Temperature: 293 K Calculated Reported Volume 1986.14(18) 1986.14(17) Space group P -1 P-1 Hall group -P 1 ? Moiety formula C24 H16 O16 Tb2, C3 H7 N O ? Sum formula C27 H23 N O17 Tb2 C27 H23 N O17 Tb2 Mr 951.32 951.32 Dx,g cm-3 1.591 1.591 Z 2 2 Mu (mm-1) 3.595 3.595 F000 916.0 916.0 F000' 915.82 h,k,lmax 12,15,19 12,15,19 Nref 7018 6975 Tmin,Tmax 0.458,0.524 0.505,0.564 Tmin' 0.449 Correction method= # Reported T Limits: Tmin=0.505 Tmax=0.564 AbsCorr = MULTI-SCAN Data completeness= 0.994 Theta(max)= 25.000 R(reflections)= 0.0370( 5399) wR2(reflections)= 0.0947( 6975) S = 1.062 Npar= 468 The following ALERTS were generated. Each ALERT has the format test-name_ALERT_alert-type_alert-level. Click on the hyperlinks for more details of the test. Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.37 Report PLAT213_ALERT_2_C Atom O16 has ADP max/min Ratio ..... 3.1 prolat PLAT213_ALERT_2_C Atom C20 has ADP max/min Ratio ..... 3.5 prolat PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) Range 3.4 Ratio PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... O3 Check |
金蟲(chóng) (小有名氣)
捐助貴賓 (著名寫(xiě)手)
金蟲(chóng) (小有名氣)
禁蟲(chóng) (著名寫(xiě)手)
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