(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m3565-m3566 [ doi:10.1107/S160053680605032X ]

Tris(1,10-phenanthroline)nickel(II) di--iodo-bis(diiodomercurate) N,N-dimethylformamide solvate monohydrate

H. Fang and X. Dai

Online 30 November 2006

Key indicators

Single-crystal X-ray study
T = 292 K
Mean (C-C) = 0.009 Å
R factor = 0.041
wR factor = 0.095
Data-to-parameter ratio = 20.7

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR) is > 1.50
            Tmin and Tmax reported:      0.130     0.247
            Tmin and Tmax expected:      0.046     0.144
            RR =      1.632
            Please check that your absorption correction is appropriate.
PLAT060_ALERT_3_B Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.56      
PLAT233_ALERT_4_B Hirshfeld (M-X Solvent)    Hg1    -   I3      ..      76.75 su   
PLAT233_ALERT_4_B Hirshfeld (M-X Solvent)    Hg1    -   I4      ..      68.13 su   
PLAT233_ALERT_4_B Hirshfeld (M-X Solvent)    Hg2    -   I3      ..      73.02 su   
PLAT233_ALERT_4_B Hirshfeld (M-X Solvent)    Hg2    -   I4      ..      63.90 su   
PLAT233_ALERT_4_B Hirshfeld (M-X Solvent)    Hg2    -   I5      ..      21.45 su   
PLAT420_ALERT_2_B D-H Without Acceptor       O2     -   H2A    ...          ?      

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.58      
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C37     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N7     
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9      

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.581
            Tmax scaled      0.144 Tmin scaled      0.076

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   8 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check