Acta Cryst. (2004). E60, m1251-m1253  [ doi:10.1107/S1600536804019439 ]

Triaqua{-2-[N,N-bis(carboxylatomethyl)aminomethyl]-6-[N-(carboxylatomethyl)-N-(carboxymethyl)aminomethyl]-4-nitrophenolato}dicopper(II) trihydrate

X.-M. Jiang, B.-H. Meng and Z.-G. Zhang

Online 13 August 2004

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.009 Å
• R factor = 0.066
• wR factor = 0.162
• Data-to-parameter ratio = 12.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.62 Ratio 
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9       
PLAT417_ALERT_2_C Short Inter D-H..H-D       H71    ..  H76     ..       2.12 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  C14    ..  C14     ..       3.19 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 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
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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