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Acta Cryst. (2013). E69, m452-m453  [ doi:10.1107/S1600536813018722 ]

catena-Poly[[[tetraaquamagnesium]-trans-[mu]-[(piperazine-1,4-diium-1,4-diyl)bis(methylene)]diphosphonato] hemihydrate]

L.-H. Schilling and N. Stock


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Alert level B PLAT415_ALERT_2_B Short Inter D-H..H-X H2B .. H2O6 .. 2.05 Ang.
Alert level C PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 1 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.616 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 2 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 7 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? Check PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00600 Deg. 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) Mg1 -- O4 .. 5.8 su PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 100 % PLAT343_ALERT_2_G Check sp3 Angle Range in Main Residue for .. C1 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 7 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 5
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 6 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 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 4 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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