Acta Cryst. (2010). E66, m1403  [ doi:10.1107/S1600536810039759 ]

catena-Poly[{-⁵:⁵-1-[2-(dimethylamino)ethyl-N]cyclopentadienyl}-lithium(I)-(-1,1,3,3-tetra-tert-butyltriphosphane-³P²:P¹,P³)lithium(I)]

R. Grubba, J. Chojnacki and J. Pikies

Online 13 October 2010

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.010 Å
• R factor = 0.095
• wR factor = 0.258
• Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.92      

Alert level B
PLAT911_ALERT_3_B Missing # FCF Refl Between THmin & STh/L=  0.597        422      

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           25.10
           From the CIF: _diffrn_reflns_theta_full          25.10
           From the CIF: _reflns_number_total               4818
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         5243
           Completeness (_total/calc)             91.89%
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.258
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.92      
PLAT084_ALERT_2_C High wR2 Value .................................       0.26      
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C18     
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..         10      
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C2     -   C3     ...       1.39 Ang. 
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C3     -   C4     ...       1.37 Ang. 
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C4     -   C5     ...       1.39 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          3      

Alert level G
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.      14.08      
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.17 Ratio

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   7 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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