(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m617-m619 [ doi:10.1107/S1600536806006490 ]

Tetra--1,1'-dimethyl-2,2'-bi-1H-imidazole-bis[aquacopper(II)] tetranitrate hexahydrate

L. M. Gruia, F. D. Rochon and A. L. Beauchamp

Online 28 February 2006

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
Disorder in solvent or counterion
R factor = 0.061
wR factor = 0.164
Data-to-parameter ratio = 10.9

checkCIF/PLATON results

No syntax errors found




Alert level B
RINTA01_ALERT_3_B  The value of Rint is greater than 0.15
            Rint given   0.190
PLAT020_ALERT_3_B The value of Rint is greater than 0.10 .........       0.19       

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) .....         20 Ang.  
PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) .....         20 Ang.  
PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) .....         10 Ang.  
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        N2'     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N1     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N3     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      42.00 Perc. 

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

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