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Acta Cryst. (2012). E68, m1329
[ doi:10.1107/S1600536812040846 ]

Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-[kappa]2N4,N5](trifluoroacetato-[kappa]O)silver(I)

J. Li, X. C. Jia, J. Qi, Y. Y. Liu and Y. Ding


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C22
Author Response: The high U(eq) value compared to neighbors for the C22 and C44 atoms of the trifluoroacetate can be ascribed to the large thermal vibration of the tail of the anion at room temperature.
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C44     
Author Response: The high U(eq) value compared to neighbors for the C22 and C44 atoms of the trifluoroacetate can be ascribed to the large thermal vibration of the tail of the anion at room temperature.
PLAT434_ALERT_2_B Short Inter HL..HL Contact  F2     ..  F5      .       2.59 Ang. 
Author Response: It represents a normal although quite short halogen...halogen contact (see main text).

Alert level C PLAT213_ALERT_2_C Atom F1 has ADP max/min Ratio ..... 3.1 prola PLAT234_ALERT_4_C Large Hirshfeld Difference F2 -- C22 .. 0.18 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference F3 -- C22 .. 0.18 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N14 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C23 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C34 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13
Author Response: The high U(eq) value compared to neighbors for the C22 and C44 atoms of the trifluoroacetate can be ascribed to the large thermal vibration of the tail of the anion at room temperature.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C15     
Author Response: The high U(eq) value compared to neighbors for the C22 and C44 atoms of the trifluoroacetate can be ascribed to the large thermal vibration of the tail of the anion at room temperature.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C21     
Author Response: The high U(eq) value compared to neighbors for the C22 and C44 atoms of the trifluoroacetate can be ascribed to the large thermal vibration of the tail of the anion at room temperature.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C24     
Author Response: The high U(eq) value compared to neighbors for the C22 and C44 atoms of the trifluoroacetate can be ascribed to the large thermal vibration of the tail of the anion at room temperature.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C33     
Author Response: The high U(eq) value compared to neighbors for the C22 and C44 atoms of the trifluoroacetate can be ascribed to the large thermal vibration of the tail of the anion at room temperature.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C35     
Author Response: The high U(eq) value compared to neighbors for the C22 and C44 atoms of the trifluoroacetate can be ascribed to the large thermal vibration of the tail of the anion at room temperature.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C43     
Author Response: The high U(eq) value compared to neighbors for the C22 and C44 atoms of the trifluoroacetate can be ascribed to the large thermal vibration of the tail of the anion at room temperature.
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0105 Ang  

Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 25.01 From the CIF: _reflns_number_total 7881 Count of symmetry unique reflns 4393 Completeness (_total/calc) 179.40% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3488 Fraction of Friedel pairs measured 0.794 Are heavy atom types Z>Si present yes PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 8 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C2 - C10 ... 1.44 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C13 - C20 ... 1.45 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C24 - C32 ... 1.44 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C35 - C42 ... 1.46 Ang. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 10 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 45 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 16 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 21 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 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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