Acta Cryst. (2006). E62, m2846-m2848  [ doi:10.1107/S1600536806040219 ]

Bis[1,1-bis(propan-2-iminooxy)-1H-isoindol-3-amine-³N,N',N'']nickel(II) dinitrate

M. N. Kopylovich, K. V. Luzyanin, M. Haukka, A. J. L. Pombeiro and V. Y. Kukushkin

Online 11 October 2006

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.005 Å
• R factor = 0.050
• wR factor = 0.142
• Data-to-parameter ratio = 12.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97      
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.52      
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N5     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.45      
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C11     
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C13     
PLAT432_ALERT_2_C Short Inter X...Y Contact  O3     ..  C10     ..       3.01 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O5     ..  C9      ..       2.92 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4B    ..  O4      ..       2.75 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4B    ..  N5      ..       2.72 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4A    ..  N5      ..       2.72 Ang. 
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      35.00 A   3 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  13 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
   5 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

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