(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m538-m541 [ doi:10.1107/S1600536806004399 ]

Bis(ethylenediammonium) diaquabis[hydrogendiphosphato(3-)]nickelate(II): structure and vibrational spectroscopy

R. Essehli, B. El Bali, M. Lachkar, I. Svoboda and H. Fuess

Online 17 February 2006

Key indicators

Single-crystal X-ray study
T = 301 K
Mean (C-C) = 0.004 Å
R factor = 0.032
wR factor = 0.089
Data-to-parameter ratio = 13.8

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 ....          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          6     
            O1  -NI1 -O1  -P1      9.00  0.00   2.775   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         18     
            O3  -NI1 -O3  -P2     13.00  0.00   2.775   1.555   1.555   1.555   

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

   2 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
   2 ALERT type 4 Improvement, methodology, query or suggestion