Acta Cryst. (2005). E61, m1512-m1513  [ doi:10.1107/S160053680502129X ]

Chloro[⁵-1-(dimethylaminoethyl)indenyl](triphenylphosphine)nickel(II) diethyl ether hemisolvate

A. Castonguay, A. L. Beauchamp, J. Vachon and D. Zargarian

Online 9 July 2005

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.007 Å
• R factor = 0.048
• wR factor = 0.118
• Data-to-parameter ratio = 10.6

checkCIF/PLATON results

No syntax errors found



Alert level A
THETM01_ALERT_3_A  The value of sine(theta_max)/wavelength is less than 0.550
            Calculated sin(theta_max)/wavelength =    0.5323

PLAT023_ALERT_3_A Resolution (too) Low [sin(th)/Lambda < 0.6].....      55.16 Deg.  

PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      55.16 Deg.  

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio 
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.96       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.28 Ratio 
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.66 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.57 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C61    -   C62     ..       6.25 su    
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for          N     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       

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

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

Copyright © International Union of Crystallography
IUCr Webmaster