(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m2830-m2831 [ doi:10.1107/S1600536806039936 ]

Bis[O,O'-bis(2-phenylethyl)dithiophosphato]dipyridinenickel(II)

L.-K. Zou, B. Xie, B. Zhao, W.-D. Jiang and Y. Wu

Online 7 October 2006

Key indicators

Single-crystal X-ray study
T = 289 K
Mean (C-C) = 0.008 Å
R factor = 0.047
wR factor = 0.143
Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.96      

Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni     -   S2      ..       5.32 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C12     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C16     
PLAT245_ALERT_2_C U(iso) H12     Smaller than U(eq) C12     by ...       0.01 AngSq
PLAT245_ALERT_2_C U(iso) H18     Smaller than U(eq) C18     by ...       0.01 AngSq
PLAT245_ALERT_2_C U(iso) H19     Smaller than U(eq) C19     by ...       0.02 AngSq
PLAT245_ALERT_2_C U(iso) H20     Smaller than U(eq) C20     by ...       0.02 AngSq
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check