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[Contents scheme]

Acta Cryst. (2012). E68, m1426-m1427
[ doi:10.1107/S1600536812044182 ]

Poly[([mu]3-hydrogenphosphato)(4H-1,2,4-triazole-[kappa]N1)zinc]

H. Aitenneite, A. El Bouari, S. Sebti, M. Saadi, L. El Ammari and K. Adil


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 .... 2.3 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 12 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 62 Perc.
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 40.24 From the CIF: _reflns_number_total 3318 Count of symmetry unique reflns 2134 Completeness (_total/calc) 155.48% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1184 Fraction of Friedel pairs measured 0.555 Are heavy atom types Z>Si present yes PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT033_ALERT_4_G Flack x Parameter Value Deviates from Zero ..... 0.020 PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.15 Ratio PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 6
0 ALERT level A = Most likely a serious problem - resolve or explain 0 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 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
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: H. Aitenneite is a Doctoral candidate who synthesized the compound. A. El Bouari crystal growth of the compound and research project Director. S. Sebti and K. Adil are director and co-director of thesis. L. El Ammari and M. Saadi : X-ray data collection, crystal structure refinement and cif preparation.

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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