[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2008). E64, m380  [ doi:10.1107/S1600536808001566 ]

Tris[2-(benzyliminomethyl)phenolato-[kappa]2N,O]iron(III)

H.-B. Gong, L. Wang and W.-T. Zhao


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 3000 Deg. PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.18 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Fe - N3 .. 5.15 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C25 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C37 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 7 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 O3 -FE -O1 -C2 134.20 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 10 N3 -FE -O2 -C16 -122.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 11 O1 -FE -O3 -C30 63.80 1.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 19 N2 -FE -N1 -C7 -63.80 1.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 24 N2 -FE -N1 -C8 104.60 1.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 29 N1 -FE -N2 -C21 -39.30 1.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 34 N1 -FE -N2 -C22 138.70 1.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 38 O2 -FE -N3 -C35 105.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 43 O2 -FE -N3 -C36 -71.00 2.00 1.555 1.555 1.555 1.555 PLAT737_ALERT_1_C D...A Calc 2.979(6), Rep 2.978(2) ...... 3.00 su-Ra C22 -O1 1.555 1.555 PLAT737_ALERT_1_C D...A Calc 3.018(6), Rep 3.018(2) ...... 3.00 su-Ra C22 -N3 1.555 1.555 PLAT737_ALERT_1_C D...A Calc 2.938(5), Rep 2.938(2) ...... 2.50 su-Ra C36 -O1 1.555 1.555
Alert level G 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 0 ALERT level B = Potentially serious problem 20 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 9 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster