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Datablock: 0908am -------------------------------------------------------------------------------- Bond precision: C-C = 0.0123 A Wavelength=0.71073 Cell: a=13.176(2) b=12.843(2) c=14.881(3) alpha=90 beta=109.563(4) gamma=90 Temperature: 273 K Calculated Reported Volume 2372.8(7) 2372.7(7) Space group P n Pn Hall group P -2yac ? Moiety formula C52 H36 Cu4 N16 C52H36Cu4N16 Sum formula C52 H36 Cu4 N16 C52H36Cu4N16 Mr 1139.17 1139.17 Dx,g cm-3 1.594 1.594 Z 2 2 Mu (mm-1) 1.825 1.825 F000 1152.0 1152.0 F000' 1154.77 h,k,lmax 15,15,17 15,15,17 Nref 4189[ 8363] 5388 Tmin,Tmax 0.584,0.578 0.584,0.578 Tmin' 0.573 Correction method= 'S Data completeness= 1.29/0.64 Theta(max)= 25.000 R(reflections)= 0.0437( 4502) wR2(reflections)= 0.1070( 5388) S = 0.994 Npar= 649 -------------------------------------------------------------------------------- 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 A PLAT036_ALERT_1_A No s.u. Given for Flack Parameter .............. ? PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing .. ? PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed PLAT761_ALERT_1_A CIF Contains no X-H Bonds ...................... ? PLAT762_ALERT_1_A CIF Contains no X-Y-H or H-Y-H Angles .......... ? -------------------------------------------------------------------------------- PLAT036_ALERT_1_A No s.u. Given for Flack Parameter .............. ?Õâ¸ö´íÎóÔõô¸Ä²ÅÄÜ·ûºÏÒªÇó°¡??? |
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huahua1216
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yanhualover:лл½»Á÷ 2010-07-02 08:31:14
baishitou3(½ð±Ò+1): 2010-07-02 14:14:01
baishitou3(½ð±Ò+1): 2010-07-02 14:14:01
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2Â¥2010-07-02 08:25:07
yunruirui
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3Â¥2010-07-02 10:55:58
linhua0402313
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baishitou3(½ð±Ò+4): 2010-07-02 14:13:44
yunruirui:лл½»Á÷ 2010-07-02 14:29:35
yunruirui:лл½»Á÷ 2010-07-02 14:29:35
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