[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1505
[ doi:10.1107/S1600536812045679 ]

catena-Poly[[[diaquacopper(II)]-bis[[mu]-1,5-bis(1H-imidazol-1-yl)pentane-[kappa]2N3:N3']] naphthalene-1,5-disulfonate]

L.-P. Zhang, S.-T. Wen and X.-N. Fu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C6 -- C7 .. 5.3 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N2 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.1 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0078 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 11.960 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.548 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 6
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 5 PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00500 Deg. PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 6 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C4 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C4' PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 10 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu (II) 2.19 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 4 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 44
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL022_ALERT_1_A There is a mismatched ~ on line 194 (iii) -x, -y, -z; (iv) 1-x,~ 1-y, 1-z.] If you require a ~ then it should be escaped with a \, i.e. \~ Otherwise there must be a matching closing ~, e.g. C~2~H~4~
1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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