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Acta Cryst. (2003). E59, o603-o605 [ doi:10.1107/S1600536803007220 ]
Online 9 April 2003
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(Please check) = 0.000 ÅNo syntax errors found ADDSYM reports no extra symmetryAlert Level A:
PLAT_305 Alert A Isolated Hydrogen Atom (Outside Bond Range ??) >H(293)
| Author response: ...When the major and minor components are run separately in PLATON or CHECKCIF there is no problem with the connectivity nor does SHELXL indicate any problem nor should it since h293 is an AFIX 43 atom. There is no connectivity problem. Also the large number of Alert-Cs arise because the minor component is in a fixed position. |
PLAT_305 Alert A Isolated Hydrogen Atom (Outside Bond Range ??) <H(493)
| Author response: ...When the major and minor components are run separately in PLATON or CHECKCIF there is no problem with the connectivity nor does SHELXL indicate any problem nor should it since h293 is an AFIX 43 atom. There is no connectivity problem. Also the large number of Alert-Cs arise because the minor component is in a fixed position. |
Alert Level C:
PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . N31 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C321 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . O32 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C322 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . CL31 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C31A PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C32 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C33 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C34 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C35 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C35A PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . N36 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C37 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C371 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C372 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C373 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C374 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C375 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C376 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C38 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C39 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C391 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C392 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C393 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C394 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C395 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C396 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . N41 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C421 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . O42 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C422 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . CL41 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C41A PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C42 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C43 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C44 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C45 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C45A PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . N46 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C47 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C471 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C472 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C473 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C474 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C475 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C476 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C48 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C49 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C491 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C492 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C493 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C494 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C495 PLAT_161 Alert C Missing or Zero su (esd) on x-coordinate for . C496 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . N31 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C321 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . O32 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C322 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . CL31 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C31A PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C32 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C33 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C34 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C35 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C35A PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . N36 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C37 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C371 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C372 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C373 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C374 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C375 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C376 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C38 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C39 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C391 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C392 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C393 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C394 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C395 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C396 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . N41 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C421 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . O42 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C422 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . CL41 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C41A PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C42 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C43 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C44 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C45 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C45A PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . N46 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C47 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C471 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C472 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C473 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C474 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C475 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C476 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C48 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C49 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C491 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C492 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C493 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C494 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C495 PLAT_162 Alert C Missing or Zero su (esd) on y-coordinate for . C496 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . N31 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C321 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . O32 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C322 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . CL31 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C31A PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C32 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C33 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C34 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C35 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C35A PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . N36 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C37 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C371 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C372 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C373 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C374 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C375 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C376 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C38 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C39 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C391 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C392 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C393 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C394 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C395 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C396 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . N41 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C421 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . O42 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C422 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . CL41 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C41A PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C42 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C43 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C44 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C45 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C45A PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . N46 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C47 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C471 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C472 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C473 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C474 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C475 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C476 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C48 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C49 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C491 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C492 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C493 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C494 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C495 PLAT_163 Alert C Missing or Zero su (esd) on z-coordinate for . C496 PLAT_302 Alert C Anion/Solvent Disorder ....................... 50.00 Perc. General Notes
REFLT_03 From the CIF: _diffrn_reflns_theta_max 27.27 From the CIF: _reflns_number_total 7396 Count of symmetry unique reflns 4147 Completeness (_total/calc) 178.35% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3249 Fraction of Friedel pairs measured 0.783 Are heavy atom types Z>Si present yes Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF.
2 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
163 Alert Level C = Please check
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