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Acta Cryst. (2004). E60, m557-m559  [ doi:10.1107/S1600536804007743 ]

Astemizole tetrachlorocobaltate(II)

M. Parvez

Online 9 April 2004

Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level A
PLAT432_ALERT_2_A Short Inter X...Y Contact  C21'   ..  C21'    ..       2.86 Ang.
Author Response: The phenylethyl C-atoms of the (4-methoxyphenyl)ethyl group attched to the piperdin ring are disordered over sites (C20-C27) and (C20'-C27') which is likely the cause of this contact. 

Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  C21'   ..  C22'    ..       2.95 Ang.
Author Response: The phenylethyl C-atoms of the (4-methoxyphenyl)ethyl group attched to the piperdin ring are disordered over sites (C20-C27) and (C20'-C27') which is likely the cause of this contact. 

Alert level C
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms .....         12       
PLAT213_ALERT_2_C Atom C24     has ADP max/min Ratio .............       3.30 prolat
PLAT213_ALERT_2_C Atom C26     has ADP max/min Ratio .............       3.10 prolat
PLAT213_ALERT_2_C Atom C24'    has ADP max/min Ratio .............       3.30 prolat
PLAT213_ALERT_2_C Atom C26'    has ADP max/min Ratio .............       3.10 prolat
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O1     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Co1     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      19.00 Perc. 
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      17.00 Perc. 
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9       
PLAT411_ALERT_2_C Short Inter H...H Contact  H19B   ..  H26'    ..       2.14 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  Cl4    ..  C24'    ..       3.18 Ang.
Author Response: The phenylethyl C-atoms of the (4-methoxyphenyl)ethyl group attched to the piperdin ring are disordered over sites (C20-C27) and (C20'-C27') which is likely the cause of this contact. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  C21'   ..  C23'    ..       3.13 Ang.
Author Response: The phenylethyl C-atoms of the (4-methoxyphenyl)ethyl group attched to the piperdin ring are disordered over sites (C20-C27) and (C20'-C27') which is likely the cause of this contact. 

   1 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  13 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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