(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m123-m125 [ doi:10.1107/S160053680302909X ]

Bis{-2'-[1-(4-chloro-2-oxidophenyl)ethylidene]thiophene-2-carbohydrazidato}bis[pyridinezinc(II)]

H. Ali, M. Mohammad, M. S. M. Yusof and B. M. Yamin

Online 24 December 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.048
wR factor = 0.138
Data-to-parameter ratio = 17.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.02 Ratio 
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors ....        C28     

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.38       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.39 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C12    -   C13      =       5.66 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O2     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O4     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C35     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         N5     

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   9 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
   8 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
   1 ALERT type 4 Improvement, methodology, query or suggestion