Acta Cryst. (2005). E61, m1411-m1412  [ doi:10.1107/S1600536805019574 ]

Tris(5,5'-dimethyl-2,2'-bipyridyl-²N,N')iron(II) bis(perchlorate) 5,5'-dimethyl-2,2'-bipyridyl solvate

G. A. van Albada, I. Mutikainen, U. Turpeinen and J. Reedijk

Online 24 June 2005

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.006 Å
• Disorder in main residue
• R factor = 0.078
• wR factor = 0.238
• Data-to-parameter ratio = 16.9

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT241_ALERT_2_A Check High      Ueq as Compared to Neighbors for        O23     

Alert level B
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for        O22     

PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for        O34     

PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        Cl3     

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.108
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.11       
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT215_ALERT_3_C Disordered O32     has ADP max/min Ratio .......       3.30       
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.26 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O21     

PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Cl2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        O33     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       7.00 Perc. 
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........        O22     
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........        O24     
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........        O32     
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........        O34     
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C17     
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C27     
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C37     
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C57     
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C67     
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C77     
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C87     
PLAT413_ALERT_2_C Short Inter XH3 .. XHn     H27A   ..  H33A    ..       2.14 Ang.  
PLAT413_ALERT_2_C Short Inter XH3 .. XHn     H47A   ..  H73A    ..       2.10 Ang.  
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              C12 H12 N2                                                        
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4       
              Cl O4                                                             

   1 ALERT level A = In general: serious problem
   3 ALERT level B = Potentially serious problem
  24 ALERT level C = Check and explain
   0 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
   4 ALERT type 3 Indicator that the structure quality may be low
   9 ALERT type 4 Improvement, methodology, query or suggestion

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