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[Contents scheme]

Acta Cryst. (2012). E68, m1148
[ doi:10.1107/S1600536812029911 ]

catena-Poly[[[(1,10-phenanthroline-[kappa]2N,N')praseodymium(III)]-di-[mu]-4-hydroxybenzoato-[kappa]4O1:O1'-[mu]-nitrato-[kappa]3O,O':O] bis(1,10-phenanthroline)]

P. Wang, D. Xu and X. Wang


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ... 1 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5882 PLAT142_ALERT_4_C su on b - Axis Small or Missing ................ 0.00020 Ang. PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.588 19 PLAT976_ALERT_2_C Negative Residual Density at 0.85A from O2 . -0.44 eA-3
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pr1 -- O7 .. 7.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pr1 -- O8 .. 5.6 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pr1 -- N1 .. 5.6 su PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 88 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level G PUBL013_ALERT_1_G The _publ_section_comment (discussion of study) is missing. This is required for a full paper submission (but is optional for an electronic paper).
0 ALERT level A = Data missing that is essential or data in wrong format 1 ALERT level G = General alerts. Data that may be required is missing

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