Acta Cryst. (2006). E62, m3170-m3171  [ doi:10.1107/S1600536806044667 ]

Bis{N-[(Z)-4-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-ylidene)(phenyl)methyl]naphthylamido-²N,O}iron(II)

R.-M. Ma, S.-F. Sun and F. Bao

Online 3 November 2006

Key indicators

• Single-crystal X-ray study
• T = 292 K
• Mean (C-C) = 0.007 Å
• R factor = 0.060
• wR factor = 0.145
• Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found




Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.123
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.12      
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         44 Perc.
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.78 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N3     -   C47     ..       5.60 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C8     -   C9      ..       6.89 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C36    -   C37     ..       5.55 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C45    -   C46     ..       6.53 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C53    -   C54     ..       6.60 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   O1      ..       6.28 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C15     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C26     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11     
PLAT413_ALERT_2_C Short Inter XH3 .. XHn     H21A   ..  H50     ..       2.11 Ang. 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  15 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
  11 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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