[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m559-m560
[ doi:10.1107/S1600536813026007 ]

{5,5'-Dihydroxy-2,2'-[(2-hydroxypropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II) dihydrate

A. Datta, J.-H. Huang and S.-C. Sheu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.4
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 26 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 8 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ni1 -- O1 .. 6.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ni1 -- N2 .. 7.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ni1 -- N1' .. 7.0 su PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 24 % PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT793_ALERT_4_G The Model has Chirality at C16 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C16' (Verify) .... R PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 18 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 14
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 15 ALERT level G = General information/check it is not something unexpected 2 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 2 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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