[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m229-m230
[ doi:10.1107/S1600536813007629 ]

Hexaaquacopper(II) bis(tetrafluoridoborate)-pyrazine 1,4-dioxide (1/3)

J. L. Wikaira, C. P. Landee and M. M. Turnbull


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for B1 PLAT431_ALERT_2_C Short Inter HL..A Contact F3 .. N31 . 2.87 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 16 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.14 Ratio PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C4 H4 N2 O2 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.18 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 19 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 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 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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 3 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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