(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m1307-m1309 [ doi:10.1107/S1600536805017794 ]

Acetonitrile[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazole]dinitratocobalt(II)

Z.-G. Zhang, Y.-Y. Sun and X.-M. Jiang

Online 17 June 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.012 Å
R factor = 0.098
wR factor = 0.208
Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95       

Alert level C
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O8     -   N11     ..       6.54 su    
PLAT322_ALERT_2_C Check Hybridisation of  S1     in Main Residue .          ?     
PLAT322_ALERT_2_C Check Hybridisation of  S2     in Main Residue .          ?     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12       

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

   2 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
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion