(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1046-m1048 [ doi:10.1107/S1600536804015727 ]

A dinuclear Schiff base iron(III) complex with the ligand N,N'-bis(2-oxidophenylmethyleneimino)propane-1,2-diamine

Z.-L. You and H.-L. Zhu

Online 9 July 2004

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.012 Å
R factor = 0.086
wR factor = 0.224
Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found




Alert level B
RINTA01_ALERT_3_B  The value of Rint is greater than 0.15
            Rint given   0.176
PLAT020_ALERT_3_B The value of Rint is greater than 0.10 .........       0.18       

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.15       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.45 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.69 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C11    -   C12     ..       5.04 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C10     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C8     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12       

   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
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion