Acta Cryst. (2008). E64, m1295-m1296  [ doi:10.1107/S1600536808029413 ]

catena-Poly[[[diaquamanganese(II)]-₃-pyridine-2,3-dicarboxylato-⁴N,O²:O³:O^3'] dihydrate]

Z.-X. Du and J.-X. Li

Key indicators

• Single-crystal X-ray study
• T = 291 K
• Mean (C-C) = 0.005 Å
• R factor = 0.035
• wR factor = 0.095
• Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Mn1    --  O4      ..      11.39 su   
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Mn1    --  O8_c    ..      10.59 su   
PLAT417_ALERT_2_B Short Inter D-H..H-D       H1W    ..  H6W     ..       2.05 Ang. 
PLAT417_ALERT_2_B Short Inter D-H..H-D       H3W    ..  H8W     ..       1.58 Ang. 

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C3     --  C4      ..       5.57 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C4     --  C5      ..       6.15 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    --  O3      ..       7.21 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    --  O5      ..       6.14 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    --  O6_b    ..       5.41 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    --  N1_c    ..       9.39 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O5     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Mn1     
PLAT395_ALERT_2_C Deviating  X-O-Y  Angle from 120 Deg for      O2     141.00 Deg. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O2     ..  C4      ..       3.01 Ang. 
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8W    ..  O1      ..       2.61 Ang. 
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.17 Ratio

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      

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

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

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