(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m568-m570 [ doi:10.1107/S1600536806005721 ]

Bis[N,N'-bis(trimethylsilyl)benzamidinato]diethylhafnium(IV)

R. Fischer, D. Walther and W. Imhof

Online 22 February 2006

Key indicators

Single-crystal X-ray study
T = 183 K
Mean (C-C) = 0.013 Å
R factor = 0.041
wR factor = 0.110
Data-to-parameter ratio = 19.8

checkCIF/PLATON results

No syntax errors found



Datablock: I


Alert level A
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      24.64 Deg.  

Alert level C
THETM01_ALERT_3_C  The value of sine(theta_max)/wavelength is less than 0.590
            Calculated sin(theta_max)/wavelength =    0.5866
PLAT023_ALERT_3_C Resolution (too) Low [sin(th)/Lambda < 0.6].....      24.64 Deg.  
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.97 Ratio 
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Si1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Si2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Si3     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Si4     
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         13       
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C1     -   C2     ...       1.53 Ang.  
PLAT602_ALERT_4_C VERY LARGE Solvent Accessible VOID(S) in Structure        !

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  10 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
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion