(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2004). E60, m1708-m1709 [ doi:10.1107/S1600536804026522 ]

{2'-[1-(5-Bromo-2-oxidophenyl)ethylidene]benzohydrazidato(2-)}tris(pyridine)nickel(II)] pyridine solvate

H. M. Ali, N. A. Khamis and B. M. Yamin

Key indicators

Single-crystal X-ray study
T = 273 K
Mean (C-C) = 0.008 Å
R factor = 0.059
wR factor = 0.137
Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.77       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C27     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         N5     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors  for         N6     
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for        C35     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8       
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......         C9     
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1     
            O2  -NI1 -O1  -C7     -9.80  0.70   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          7     
            O1  -NI1 -O2  -C15    23.10  0.80   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         15     
            N3  -NI1 -N2  -C8    159.00  2.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         20     
            N3  -NI1 -N2  -N1    -22.00  3.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         24     
            N2  -NI1 -N3  -C20    23.00  3.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         29     
            N2  -NI1 -N3  -C16  -155.00  2.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         37     
            N5  -NI1 -N4  -C25  -136.80  1.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         42     
            N5  -NI1 -N4  -C21    40.50  1.20   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         47     
            N4  -NI1 -N5  -C26   124.30  1.10   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         52     
            N4  -NI1 -N5  -C30   -48.40  1.20   1.555   1.555   1.555   1.555   

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
  14 ALERT type 4 Improvement, methodology, query or suggestion