![[HTML version]](/e/graphics/htmlborder.gif)
![[PDF version]](/e/graphics/pdfborder.gif)
![[Article Abstract]](/e/graphics/abstractborder.gif)
![[CIF]](/e/graphics/cifborder.gif)
![[3d view]](/e/graphics/3dviewborder.gif)
![[Structure Factors]](/e/graphics/structurefactorsborder.gif)
![[Issue contents]](/e/graphics/issuecontentsborder.gif)
![[Buy article online]](/logos/buy.gif)
![[Contents scheme]](is6106contents.gif)
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
- Single-crystal X-ray study
- T = 295 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(C-C) = 0.004 Å
- R factor = 0.054
- wR factor = 0.130
- Data-to-parameter ratio = 12.8
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