Acta Cryst. (2004). E60, m1442-m1443  [ doi:10.1107/S1600536804022524 ]

(⁸-Cyclooctatetraenyl)(m-terphenyl)yttrium--chloro-[tris(tetrahydrofuran)lithium(I)]

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

Online 18 September 2004

Key indicators

• Single-crystal X-ray study
• T = 218 K
• Mean (C-C) = 0.008 Å
• R factor = 0.038
• wR factor = 0.070
• Data-to-parameter ratio = 12.3

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT241_ALERT_2_A Check High   U(eq) as Compared to Neighbors  for        C30     

Alert level B
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors  for       C31A     
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors  for       C30A     
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors  for        C32     
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors  for         O1     
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors  for       C29A     

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C27     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for       C34A     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C36     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for       C28A     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C34     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         O2     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C29     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C31     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         Y1     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      15.00 Perc. 
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C36    -   C37    ...       1.43 Ang.  
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      40.90 Deg.  
              C30A -O1   -C30     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      36.40 Deg.  
              C27  -O1   -C27A    1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      25.90 Deg.  
              C31A -O2   -C31     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      28.20 Deg.  
              C34  -O2   -C34A    1.555   1.555   1.555                         

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           25.50
           From the CIF: _reflns_number_total               5812
           Count of symmetry unique reflns         3543
           Completeness (_total/calc)            164.04%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2269
           Fraction of Friedel pairs measured     0.640
           Are heavy atom types Z>Si present          yes

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  20 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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