Acta Cryst. (2005). E61, m1329-m1331  [ doi:10.1107/S1600536805017903 ]

(₂-²-2-tert-Butylethyn-1-yl)(₂-chloro)bis{[bis(⁵-cyclopentadienyl)dimethylsilane]titanium}

H. Kooijman, M. Hogenbirk, G. Schat, O. S. Akkerman, F. Bickelhaupt and A. L. Spek

Online 17 June 2005

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.009 Å
• Disorder in main residue
• R factor = 0.070
• wR factor = 0.183
• Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found



Alert level A
ABSTM02_ALERT_3_A  Test not performed as the _exptl_absorpt_correction_type
            has not been identified. See test ABSTY_01.
ABSTY01_ALERT_1_A  The absorption correction should be one of the following
            *  none
            *  analytical
            *  integration
            *  numerical
            *  gaussian
            *  empirical
            *  psi-scan
            *  multi-scan
            *  refdelf
            *  sphere
            *  cylinder

Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C15     
PLAT366_ALERT_2_B Short? C(sp?)-C(sp?) Bond  C13    -   C14    ...       1.23 Ang.  

Alert level C
ABSTY02_ALERT_1_C  An _exptl_absorpt_correction_type has been given without
            a literature citation. This should be contained in the
            _exptl_absorpt_process_details field.
            Absorption correction given as Not Given
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.94 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        Cl1     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       8.00 Perc. 
PLAT320_ALERT_2_C Check Hybridisation of  C13    in Main Residue .          ?     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9       

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

   2 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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