(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, m155 [ doi:10.1107/S1600536808043961 ]

Dichloridobis(phenyl 2-pyridyl ketone oxime)nickel(II) acetone solvate

J.-Z. Yin and G.-X. Liu

Online 8 January 2009

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.004 Å
R factor = 0.032
wR factor = 0.089
Data-to-parameter ratio = 14.1

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   296.000
            Value of melting point given =     0.000
CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98      
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C26     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1     ..  CL1     ..       2.91 Ang. 

Alert level G
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1     
            N3  -NI1 -N1  -C6     26.90  0.50   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          6     
            N3  -NI1 -N1  -O1   -156.40  0.40   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         21     
            N1  -NI1 -N3  -C18    59.80  0.50   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         26     
            N1  -NI1 -N3  -O2   -106.60  0.40   1.555   1.555   1.555   1.555  

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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
   6 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check