(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1156-m1157 [ doi:10.1107/S1600536804017155 ]

Bis[-bis(2,6-di-1-naphthylphenyl)phosphanido]bis[(tetrahydrofuran)lithium(I)]

G. W. Rabe, F. A. Riederer, C. D. Incarvito, J. A. Golen and A. L. Rheingold

Online 24 July 2004

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.009 Å
R factor = 0.083
wR factor = 0.262
Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found




Alert level C
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.262
PLAT084_ALERT_2_C High R2 Value ..................................       0.26       
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.57       
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C14     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         C9     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C13     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C19     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       8.00 Perc. 
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9       
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C2     -   C17    ...       1.53 Ang.  
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      15.00 Deg.  
              C30  -O1   -C30A    1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      17.00 Deg.  
              C28  -C27  -C28A    1.555   1.555   1.555                         

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  12 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
   9 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
   0 ALERT type 4 Improvement, methodology, query or suggestion