[Open access]

[Contents scheme]

Acta Cryst. (2014). E70, m185-m186
[ doi:10.1107/S1600536814008198 ]

A new polymorph of aqua­bis­(1,10-phenanthroline-[kappa]2N,N')copper(II) dinitrate

M. Boutebdja, A. Lehleh, A. Beghidja, Z. Setifi and H. Merazig


Key indicators

checkCIF/PLATON results

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Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 4 Check
Alert level C PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.544 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 17 Why ? PLAT918_ALERT_3_C Reflection(s) with I(obs) much smaller I(calc) . 6 Check PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S . 15.13
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 2 Why ? PLAT021_ALERT_4_G Ratio Unique / Expected Reflections too High ... 2.235 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1 Note PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 Note N O3 PLAT794_ALERT_5_G Tentative Bond Valency for Cu01 (II) ..... 2.17 Note PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 3 Note PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! Info PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 3 Why ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 23 Note PLAT931_ALERT_5_G Found Twin Law ( 2 1 1)[ ] Estimated BASF 0.46 Check
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 0 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 7 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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