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Bond precision:        C-C = 0.0040 A        Wavelength=0.71073
Cell:        a=7.6179(3)        b=7.6179(3)        c=13.3498(5)
alpha=90        beta=90        gamma=120
Temperature:        293 K               
Calculated        Reported
Volume        670.93(7)        670.93(4)
Space group        P 31 2 1        P3121
Hall group        P 31 2"        ?
Moiety formula        C3 H2 K2 N4 O8        ?
Sum formula        C3 H2 K2 N4 O8        C3 H2 K2 N4 O8
Mr        300.29        300.29
Dx,g cm-3        2.230        2.230
Z        3        3
Mu (mm-1)        1.106        1.106
F000        450.0        450.0
F000'        451.47       
h,k,lmax        9,9,15        9,8,15
Nref        788[ 486]        791
Tmin,Tmax        0.784,0.838        0.793,0.843
Tmin'        0.784       
Correction method= # Reported T Limits: Tmin=0.793 Tmax=0.843 AbsCorr = MULTI-SCAN       
Data completeness= 1.63/1.00        Theta(max)= 24.970
R(reflections)= 0.0308( 751)        wR2(reflections)= 0.0630( 791)
S = 1.063        Npar= 78
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
PLAT090_ALERT_3_C Poor Data / Parameter Ratio (Zmax > 18) ........       6.23 Note  
Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          3 Info  
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF     Please Do !

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  • ¸½¼þ 1 : aaaaaaaaa.rar
  • 2015-09-08 08:59:49, 214.42 K
10Â¥2015-09-08 08:59:56
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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xwnail2003

½û³æ (ÖøÃûдÊÖ)

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4Â¥2015-09-07 14:07:17
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xwnail2003

½û³æ (ÖøÃûдÊÖ)

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5Â¥2015-09-07 14:13:20
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

maqing4399

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
5Â¥: Originally posted by xwnail2003 at 2015-09-07 14:13:20
Volume        670.93(5)        670.93(4)
Space group        P 31 2 1        P 31 2 1
Hall group        P 31 2"        P 31 2"
Moiety formula        C6 H2 N O8, 2(Cl)        0.46(Cl), 0.23(C6 H2 N O8)
Sum formula        C6 H2 Cl2 N O8        C H Cl0.08 N O ...

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