Acta Cryst. (2008). E64, m505-m506  [ doi:10.1107/S1600536808005540 ]

Diaquabis(4-chlorobenzoato-O)bis(N,N-diethylnicotinamide-N¹)manganese(II)

T. Hökelek, N. Çaylak and H. Necefoglu

Online 29 February 2008

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean (C-C) = 0.009 Å
• R factor = 0.081
• wR factor = 0.255
• Data-to-parameter ratio = 16.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.76 Ratio

Alert level C
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.254
PLAT213_ALERT_2_C Atom C15     has ADP max/min Ratio .............       4.00 prola
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.48 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C14     
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          9      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          5      

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

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

Copyright © International Union of Crystallography
IUCr Webmaster