Acta Cryst. (2006). E62, m3380-m3382  [ doi:10.1107/S160053680604774X ]

Tetraaqua(1,10-phenanthroline-5,6-dione-²N,N')manganese(II) sulfate dihydrate

X.-X. Wang, F. Sun, Q.-G. Zhan and J.-Z. Wu

Online 22 November 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• Disorder in solvent or counterion
• R factor = 0.040
• wR factor = 0.107
• Data-to-parameter ratio = 14.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT432_ALERT_2_A Short Inter X...Y Contact  O7     ..  C6      ..       2.71 Ang. 

PLAT432_ALERT_2_A Short Inter X...Y Contact  O7     ..  C6      ..       2.71 Ang. 

Alert level C
PLAT214_ALERT_2_C Atom O1#     (Anion/Solvent) ADP max/min Ratio         4.50 prola
PLAT214_ALERT_2_C Atom O8      (Anion/Solvent) ADP max/min Ratio         4.50 prola
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         Mn     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for          S     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.74      
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      18.00 Perc.
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C6     -   C6_b   ...       1.54 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O6     ..  C5      ..       2.94 Ang. 

PLAT432_ALERT_2_C Short Inter X...Y Contact  O6     ..  C5      ..       2.94 Ang. 

PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          1      

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

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

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