(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, m458-m459 [ doi:10.1107/S160053681100941X ]

The one-dimensional organic-inorganic hybrid: catena-poly[bis[1-(3-ammoniopropyl)-1H-imidazolium] [[iodidoplumbate(II)]-tri--iodido-plumbate(II)-tri--iodido-[iodidoplumbate(II)]-di--iodido]]

A. Trigui, H. Boughzala, A. Driss and Y. Abid

Online 15 March 2011

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.020 Å
R factor = 0.036
wR factor = 0.110
Data-to-parameter ratio = 26.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT155_ALERT_4_C The Triclinic Unitcell is NOT Reduced ..........          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pb1    --  I1_a    ..       9.00 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pb2    --  I2      ..       6.60 su   
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..         20      
PLAT420_ALERT_2_C D-H Without Acceptor       N3     -   H3     ...          ?      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         28      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          6      
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.51 eA-3 
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.04 eA-3 
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.56 eA-3 

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Pb1     (II)          2.01      
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Pb2     (II)          2.00      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
  10 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   4 ALERT level G = General information/check it is not something unexpected

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check