(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, m36 [ doi:10.1107/S1600536810049652 ]

[N-Benzyl-N-(diphenylphosphanylmethyl)pyridin-2-amine]chloridomethylplatinum(II)

Z.-W. Wang, P. Qiao, Z.-J. Wang and C.-Q. Wan

Online 4 December 2010

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.020 Å
R factor = 0.050
wR factor = 0.123
Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT973_ALERT_2_B Large Calcd. Positive Residual Density on    Pt1       1.67 eA-3 
PLAT737_ALERT_1_B D...A   Calc   3.391(12), Rep    3.392(2) ......       6.00 su-Ra
              C7   -CL1     1.555   1.455                    #         61      

Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C8     
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..         20      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         22      
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.72 eA-3 
PLAT194_ALERT_1_C Missing _cell_measurement_reflns_used datum ....          ?
PLAT195_ALERT_1_C Missing _cell_measurement_theta_max   datum ....          ?
PLAT196_ALERT_1_C Missing _cell_measurement_theta_min   datum ....          ?
PLAT234_ALERT_4_C Large Hirshfeld Difference C24    --  C25     ..       0.20 Ang. 

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    
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3     
            CL1 -PT1 -P1  -C15   -57.00  2.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          6     
            CL1 -PT1 -P1  -C21    73.00  2.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          9     
            CL1 -PT1 -P1  -C14  -171.00  2.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         10     
            C1  -PT1 -N1  -C6    -22.00  5.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         13     
            C1  -PT1 -N1  -C2    148.00  5.00   1.555   1.555   1.555   1.555  

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   7 ALERT level G = General alerts; check

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   6 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check