Acta Cryst. (2004). E60, m1417-m1419  [ doi:10.1107/S1600536804021968 ]

₂-Oxo-bis[bis(⁵-1,3-di-tert-butylcyclopentadienyl)titanium(III)]

C. D. Sofield, M. D. Walter and R. A. Andersen

Online 11 September 2004

Key indicators

• Single-crystal X-ray study
• T = 164 K
• Mean (C-C) = 0.006 Å
• R factor = 0.065
• wR factor = 0.174
• Data-to-parameter ratio = 14.6

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT022_ALERT_3_A Ratio Unique / Expected Reflections too Low ....       0.85       
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      23.01 Deg.  

Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.67 Ratio 
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.65 Ratio 

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.09       
PLAT213_ALERT_2_C Atom C31     has ADP max/min Ratio .............       3.10 prolat
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C29     
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      34.00 A   3  

   2 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   4 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
   5 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

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