(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2004). E60, m373-m375 [ doi:10.1107/S1600536804004921 ]

cis-Bis(dicyanamido)bis(1,10-phenanthroline)nickel(II)

A-Q. Wu, F.-K. Zheng, G.-C. Guo and J.-S. Huang

Online 13 March 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.069
wR factor = 0.157
Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N6     -   C25     ..      47.60 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N6     -   C26     ..      41.48 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C23    -   C24     ..       7.01 su    
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors ....         N6     
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors ....         N9     
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....        C26     
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....        C28     

Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.85       
PLAT220_ALERT_2_C Large Non-Solvent    N     Ueq(max)/Ueq(min) ...       2.74 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N3     -   C13     ..       6.84 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C16    -   C17     ..       5.29 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C17    -   C18     ..       5.00 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C19    -   C20     ..       5.29 su    
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C25     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C27     

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.848
            Tmax scaled      0.848 Tmin scaled      0.809

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  14 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