Acta Cryst. (2004). E60, m169-m170  [ doi:10.1107/S1600536804000510 ]

catena-Poly[[aquamanganese(II)]-di--4-pyridylthioacetato-⁶O,O':N;N:O,O']

X.-M. Zhang, R.-Q. Fang, H.-S. Wu and S. W. Ng

Online 17 January 2004

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.007 Å
• R factor = 0.054
• wR factor = 0.131
• Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.525     0.936
            Tmin' and Tmax expected:      0.903     0.936
            RR' =      0.581
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.58       

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96       
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT731_ALERT_1_C Bond    Calc   1.378(11), Rep    1.378(5) ......       2.20 su-Rat
              C4   -C5      1.555   1.555                                       

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:   C14 H14 Mn1 N2 O5 S2
            Atom count from _chemical_formula_moiety:C140 H120 Mn20 N20 O40 S20

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

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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

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