Acta Cryst. (2008). E64, m1135-m1136  [ doi:10.1107/S1600536808023969 ]

[-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-h;4',5'-c][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate

K. S. Luna-Ramírez, S. Bernès and L. Gasque

Online 6 August 2008

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.003 Å
• R factor = 0.031
• wR factor = 0.083
• Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Cu2    --  O53     ..      11.05 su   

Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu2    --  O35     ..       8.69 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O43     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        N41     
PLAT417_ALERT_2_C Short Inter D-H..H-D       H34A   ..  H62B    ..       2.11 Ang. 

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         22      
PLAT793_ALERT_4_G Check the Absolute Configuration of N7     .....          R      
PLAT793_ALERT_4_G Check the Absolute Configuration of N27    .....          R      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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