(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2004). E60, m79-m81 [ doi:10.1107/S1600536803027235 ]

trans-Diazidobis{2-[(3-cyclohexylaminopropylimino)methyl]phenolato}nickel(II)

Z.-L. You, Z.-D. Xiong, W.-S. Liu, M.-Y. Tan and H.-L. Zhu

Online 19 December 2003

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.005 Å
R factor = 0.043
wR factor = 0.103
Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.99       

Alert level C
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3     
            N1  -NI1 -N1  -C1    -16.00100.00   2.765   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          8     
            N1  -NI1 -N1  -C8    172.00100.00   2.765   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         15     
            N3  -NI1 -N3  -N4   -159.00100.00   2.765   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         16     
            NI1 -N3  -N4  -N5   -137.00 11.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         19     
            N6  -NI2 -N6  -C17  -152.00100.00   2.666   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         24     
            N6  -NI2 -N6  -C24    29.00100.00   2.666   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         31     
            N8  -NI2 -N8  -N9    109.00100.00   2.666   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         32     
            NI2 -N8  -N9  -N10   141.00  9.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         33     
            O1  -NI1 -O1  -C3    131.00100.00   2.765   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         38     
            O2  -NI2 -O2  -C23   144.00100.00   2.666   1.555   1.555   1.555   

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  11 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
   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
  10 ALERT type 4 Improvement, methodology, query or suggestion