(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m412-m413 [ doi:10.1107/S1600536805002692 ]

Chloro[N,N'-dimethyl-N,N'-bis(2-pyridylmethyl)ethane-1,2-diamine]oxovanadium(IV) perchlorate

R. K. Egdal, A. D. Bond and C. J. McKenzie

Online 5 February 2005

Key indicators

Single-crystal X-ray study
T = 180 K
Mean (C-C) = 0.004 Å
R factor = 0.040
wR factor = 0.102
Data-to-parameter ratio = 16.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.96       

Alert level C
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl2     

Alert level G
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
           From the CIF: _diffrn_reflns_theta_max           28.30
           From the CIF: _reflns_number_total               4263
           From the CIF: _diffrn_reflns_limit_ max hkl   17.    9.    9.
           From the CIF: _diffrn_reflns_limit_ min hkl  -17.   -9.  -23.
           TEST1: Expected hkl limits for theta max
           Calculated maximum hkl   17.   11.   23.
           Calculated minimum hkl  -17.  -11.  -23.

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   1 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
   0 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
   1 ALERT type 4 Improvement, methodology, query or suggestion