(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m3373-m3374 [ doi:10.1107/S1600536806047994 ]

catena-Poly[tris(2,2'-bipyridine)nickel(II) [hexa--iodo-diplumbate(II)]]

L.-Q. Fan, L. Chen and L.-M. Wu

Online 22 November 2006

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.028 Å
R factor = 0.074
wR factor = 0.213
Data-to-parameter ratio = 22.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT342_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang ...         28      

Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.51      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.67 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C18     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C23     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C29     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C30     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for         I4     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Pb1     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Pb2     
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C25    -   C26    ...       1.54 Ang. 

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      0.515
            Tmax scaled      0.515 Tmin scaled      0.171
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check