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Acta Cryst. (2004). E60, m142-m144 [ doi:10.1107/S1600536803029210 ]
Tetraaqua(2,2'-bipyridine)zinc(II) terephthalate
H. Xu, Y. Liang, Z. Su, Y. Zhao, K. Shao, H. Zhang and S. Yue
Online 10 January 2004
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(C-C) = 0.007 Å
- R factor = 0.060
- wR factor = 0.201
- Data-to-parameter ratio = 15.7
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.90
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ?
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor .... 2.08
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7
PLAT731_ALERT_1_C Bond Calc 0.85(7), Rep 0.85(2) ...... 3.50 su-Rat
O8W -H2 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.84(6), Rep 0.84(2) ...... 3.00 su-Rat
O7W -H7 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(7), Rep 0.85(2) ...... 3.50 su-Rat
O7W -H3 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(6), Rep 0.85(2) ...... 3.00 su-Rat
O6W -H6 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.84(6), Rep 0.84(2) ...... 3.00 su-Rat
O6W -H1 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(6), Rep 0.85(2) ...... 3.00 su-Rat
O5W -H5 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(5), Rep 0.84(2) ...... 2.50 su-Rat
O5W -H11 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.84(6), Rep 0.84(2) ...... 3.00 su-Rat
O7W -H7 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(6), Rep 0.85(2) ...... 3.00 su-Rat
O6W -H6 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(6), Rep 0.85(2) ...... 3.00 su-Rat
O5W -H5 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(7), Rep 0.85(2) ...... 3.50 su-Rat
O7W -H3 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(7), Rep 0.85(2) ...... 3.50 su-Rat
O8W -H2 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.84(6), Rep 0.84(2) ...... 3.00 su-Rat
O6W -H1 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(5), Rep 0.84(2) ...... 2.50 su-Rat
O5W -H11 1.555 1.555
PLAT736_ALERT_1_C H...A Calc 1.79(6), Rep 1.78(2) ...... 3.00 su-Rat
H6 -O1 1.555 1.555
PLAT736_ALERT_1_C H...A Calc 1.91(7), Rep 1.90(3) ...... 2.33 su-Rat
H3 -O3 1.555 1.654
PLAT736_ALERT_1_C H...A Calc 1.91(6), Rep 1.90(2) ...... 3.00 su-Rat
H2 -O2 1.555 1.555
PLAT736_ALERT_1_C H...A Calc 1.87(5), Rep 1.87(2) ...... 2.50 su-Rat
H11 -O1 1.555 4.575
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
C8 H4 O4
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
23 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
19 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
2 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
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