Acta Cryst. (2004). E60, m1504-m1506  [ doi:10.1107/S160053680402238X ]

catena-Poly[[[diacetonitrilesilver(I)]--2,11-dithia[3.3]paracyclophane-²S:S'] tetrafluoroterephthalate tetrafluoroterephthalic acid acetonitrile tetrasolvate]

S. Q. Liu, H. Konaka, T. Kuroda-Sowa, M. Maekawa, Y. Suenaga, G. L. Ning and M. Munakata

Online 30 September 2004

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.003 Å
• R factor = 0.033
• wR factor = 0.073
• Data-to-parameter ratio = 12.8

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.791     0.898
            Tmin' and Tmax expected:      0.895     0.898
            RR' =      0.884
            Please check that your absorption correction is appropriate.
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 ............       2.00 Ratio 
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.88       
PLAT150_ALERT_1_C Volume as Calculated Differs from that Given ...    1895.00 Ang-3 
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...         16       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.61 Ratio 
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for        C35     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.97       
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C21    -   C24    ...       1.53 Ang.  

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   C72 H60 Ag2 F12 N8 O12 S4
            Atom count from _chemical_formula_moiety:

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

   6 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
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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