(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, m1417-m1418
[ doi:10.1107/S1600536812044066 ]

Iodido[1-(propan-2-ylidene)thiosemicarbazide-S]bis(triphenylphosphane-P)copper(I)

Y. Wattanakanjana, C. Pakawatchai, S. Saithong, P. Piboonphon and R. Nimthong

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.036
wR factor = 0.084
Data-to-parameter ratio = 20.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.46      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      3.172      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in CIF ...          ?
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.00100 Deg. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  I1     --  Cu1     ..       18.7 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cu1    --  S1      ..        8.8 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cu1    --  P1      ..        6.3 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cu1    --  P2      ..        5.3 su   
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         53      

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

   3 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check