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Acta Cryst. (2010). E66, m520-m521  [ doi:10.1107/S1600536810013061 ]

Hexaaquamanganese(II) bis{[N-(3-methoxy-2-oxidobenzylidene)glycylglycinato]copper(II)} hexahydrate

L.-W. Lei, Y.-Z. Jiang and Y. Zou

Online 14 April 2010


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Alert level A PLAT923_ALERT_1_A S values in the CIF and FCF Differ by ....... -0.30
Author Response: FCF and CIF were taken from the final refinement cycle. Differences may be due to a different weighting scheme of SHELX and PLATON

Alert level B PLAT919_ALERT_3_B Reflection(s) # Likely Affected by the Beamstop 1 PLAT928_ALERT_1_B Reported and Calculated S value Differ by . -0.30
Alert level C GOODF01_ALERT_2_C The least squares goodness of fit parameter lies outside the range 0.80 <> 2.00 Goodness of fit given = 0.790 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 10 PLAT417_ALERT_2_C Short Inter D-H..H-D H7C .. H9B .. 2.11 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.594 46 PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of Mn1 PLAT922_ALERT_1_C wR2 * 100.0 in the CIF and FCF Differ by ....... 0.32 PLAT927_ALERT_1_C Reported and Calculated wR2 * 100.0 Differ by . 0.31
Alert level G PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 114 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal (x 10000) 1000 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
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 8 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 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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