(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, m128 [ doi:10.1107/S1600536810053183 ]

{1,1'-[Butane-1,4-diylbis(nitrilomethylidyne)]di-2-naphtholato}copper(II) ethanol monosolvate

H. Kargar and R. Kia

Online 24 December 2010

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.006 Å
R factor = 0.057
wR factor = 0.126
Data-to-parameter ratio = 15.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C27    -   C28    ...       1.43 Ang. 
PLAT410_ALERT_2_C Short Intra H...H Contact  H16A   ..  H19A    ..       1.99 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         45      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          2      
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors of         C27     
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2      
              C2 H6 O                                                          
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         18      

Alert level G
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1     .......       2.28      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   1 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
   3 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check