[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m305-m306
[ doi:10.1107/S1600536813011756 ]

Poly[bis(piperazine-1,4-diium) [([mu]4-cyclo-hexaphosphato)dilithium] tetrahydrate]

I. Ameur, S. Abid, S. S. Al-Deyab and M. Rzaigui


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.976 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.490 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 113 PLAT975_ALERT_2_C Positive Residual Density at 0.79A from O7 . 0.41 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.72A from O10 . 0.40 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.91A from O11 . -0.48 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.41 Ratio PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 11 O1 -P1 -LI1 1.555 1.555 4.575 33.78 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 22 O4 -P2 -LI1 1.555 1.555 1.555 29.20 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 32 O7 -P3 -LI1 1.555 1.555 2.655 31.94 Deg. PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C4 H12 N2 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 H2 O PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 4 H2 O PLAT793_ALERT_4_G The Model has Chirality at P1 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at P2 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at P3 (Verify) .... R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 6 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 45
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 20 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 11 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL022_ALERT_1_A There is a mismatched ~ on line 130 In the title compound, {(C~4~H~12~N~2~)~2~[Li~2~(P~6~O~18~)].4H~2~O}~<i>n</i>, If you require a ~ then it should be escaped with a \, i.e. \~ Otherwise there must be a matching closing ~, e.g. C~2~H~4~
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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