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

[Contents scheme]

Acta Cryst. (2009). E65, m1083-m1084  [ doi:10.1107/S1600536809031778 ]

Aquabis(5-methylpyrazine-2-carboxylato)zinc(II) trihydrate

Y.-M. Cui, J. Li, X. Zhang and Q.-F. Zeng

Online 19 August 2009


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT245_ALERT_2_C U(iso) H8B Smaller than U(eq) O8 by ... 0.02 AngSq PLAT731_ALERT_1_C Bond Calc 0.83(3), Rep 0.830(10) ...... 3.00 su-Ra O5 -H5A 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.84(4), Rep 0.839(10) ...... 4.00 su-Ra O6 -H6D 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.84(3), Rep 0.841(10) ...... 3.00 su-Ra O6 -H6E 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.84(3), Rep 0.836(10) ...... 3.00 su-Ra O7 -H7B 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.84(4), Rep 0.835(10) ...... 4.00 su-Ra O8 -H8A 1.555 1.555 PLAT732_ALERT_1_C Angle Calc 108(4), Rep 108.5(17) ...... 2.35 su-Ra H6D -O6 -H6E 1.555 1.555 1.555 PLAT732_ALERT_1_C Angle Calc 110(4), Rep 109.8(17) ...... 2.35 su-Ra H7A -O7 -H7B 1.555 1.555 1.555 PLAT732_ALERT_1_C Angle Calc 111(4), Rep 110.3(18) ...... 2.22 su-Ra H8A -O8 -H8B 1.555 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.84(3), Rep 0.841(10) ...... 3.00 su-Ra O6 -H6E 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.84(4), Rep 0.839(10) ...... 4.00 su-Ra O6 -H6D 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.84(4), Rep 0.835(10) ...... 4.00 su-Ra O8 -H8A 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.84(3), Rep 0.836(10) ...... 3.00 su-Ra O7 -H7B 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.83(3), Rep 0.830(10) ...... 3.00 su-Ra O5 -H5A 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 2.09(3), Rep 2.092(11) ...... 2.73 su-Ra H6E -O7 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.92(4), Rep 1.924(14) ...... 2.86 su-Ra H6D -O8 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.95(4), Rep 1.953(13) ...... 3.08 su-Ra H8A -O1 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 2.03(3), Rep 2.034(11) ...... 2.73 su-Ra H5A -O7 1.555 1.655
Alert level G PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 12 PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.32 mm PLAT154_ALERT_1_G The su's on the Cell Angles are Equal (x 10000) 2000 Deg. PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C6
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 18 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 18 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 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster