(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2005). E61, m673-m676 [ doi:10.1107/S1600536805006896 ]

[-5,11-Bis(dimethylethyleneamino)-2,8-dimethyl-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-h]imidazo[4,5-c][1,6]diazecine]bis[aquasulfatocopper(II)] hexahydrate: a dinuclear copper sulfate complex based on a diazecine ligand

L. Gasque, E. Mijangos and L. Ortiz-Frade

Online 18 March 2005

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.006 Å
R factor = 0.061
wR factor = 0.148
Data-to-parameter ratio = 20.3

checkCIF/PLATON results

No syntax errors found






Alert level B
PLAT480_ALERT_4_B Long H...A H-Bond Reported H4W    ..  O5      ..       2.98 Ang.  
PLAT480_ALERT_4_B Long H...A H-Bond Reported H2O    ..  O3W     ..       3.00 Ang.  

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.09 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.42 Ratio 
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         S1     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1O    ..  O2      ..       2.80 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2W    ..  S1      ..       2.98 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2W    ..  O3      ..       2.95 Ang.  
PLAT481_ALERT_4_C Long D...A H-Bond Reported O2W    ..  O5      ..       3.57 Ang.  

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   7 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
   2 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
   6 ALERT type 4 Improvement, methodology, query or suggestion