(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1114-m1116 [ doi:10.1107/S1600536804016563 ]

Bis{2-[3-(diethylamino)propyliminomethyl]phenolato}copper(II) diperchlorate

Z.-L. You, Z.-D. Xiong and H.-L. Zhu

Online 17 July 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.010 Å
Disorder in solvent or counterion
R factor = 0.073
wR factor = 0.240
Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors ....         O1     
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....         N2     

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT214_ALERT_2_C Atom O4A     (Anion/Solvent) ADP max/min Ratio         4.10 prolat
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.87 Ratio 
PLAT221_ALERT_4_C Large Solvent/Anion  O     Ueq(max)/Ueq(min) ...       3.80 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.55 Ratio 
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C5     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C13     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl1     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      44.00 Perc. 
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10       

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

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