[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Issue contents]  [Buy article online]

[Contents scheme]

Acta Cryst. (2005). E61, m1639-m1640  [ doi:10.1107/S1600536805023391 ]

4,4'-Bipyridinium(2+) hexaaquairon(II) disulfate dihydrate

Y.-L. Fu, Z.-W. Xu, J.-L. Ren and S. W. Ng

Online 27 July 2005


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT731_ALERT_1_B Bond Calc 0.86(5), Rep 0.850(10) ...... 5.00 su-Rat N1 -H1N 1.555 1.555 PLAT735_ALERT_1_B D-H Calc 0.86(5), Rep 0.850(10) ...... 5.00 su-Rat N1 -H1N 1.555 1.555
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.750 0.861 Tmin(prime) and Tmax expected: 0.836 0.857 RR(prime) = 0.892 Please check that your absorption correction is appropriate. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.89 PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 4 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Fe1 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 8 PLAT731_ALERT_1_C Bond Calc 0.86(3), Rep 0.860(10) ...... 3.00 su-Rat O1W -H1W1 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.86(3), Rep 0.850(10) ...... 3.00 su-Rat O1W -H1W2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O2W -H2W2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O3W -H3W1 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O3W -H3W2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.84(4), Rep 0.850(10) ...... 4.00 su-Rat O4W -H4W1 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O4W -H4W2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.95(3), Rep 0.950(10) ...... 3.00 su-Rat C1 -H1 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.95(3), Rep 0.950(10) ...... 3.00 su-Rat C2 -H2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.95(3), Rep 0.950(10) ...... 3.00 su-Rat C4 -H4 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.95(3), Rep 0.950(10) ...... 3.00 su-Rat C5 -H5 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.86(3), Rep 0.860(10) ...... 3.00 su-Rat O1W -H1# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.86(3), Rep 0.850(10) ...... 3.00 su-Rat O1W -H2# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O2W -H4# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O3W -H5# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O3W -H6# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.84(4), Rep 0.850(10) ...... 4.00 su-Rat O4W -H7# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O4W -H8# 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.88(3), Rep 1.880(10) ...... 3.00 su-Rat H2# -O4 1.555 8.557 PLAT736_ALERT_1_C H...A Calc 1.93(3), Rep 1.930(10) ...... 3.00 su-Rat H4# -O3 1.555 2.564 PLAT736_ALERT_1_C H...A Calc 1.92(4), Rep 1.920(10) ...... 4.00 su-Rat H5# -O2 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.86(4), Rep 1.860(10) ...... 4.00 su-Rat H6# -O4W 1.555 5.666 PLAT736_ALERT_1_C H...A Calc 1.89(3), Rep 1.890(10) ...... 3.00 su-Rat H8# -O4 1.555 6.657
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 29 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 26 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 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster