[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m10-m11
[ doi:10.1107/S1600536812048350 ]

Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate

Y.-L. Miao, H.-B. Wang and W.-D. Song


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B THETM01_ALERT_3_B The value of sine(theta_max)/wavelength is less than 0.575 Calculated sin(theta_max)/wavelength = 0.5617 PLAT023_ALERT_3_B Resolution (too) Low [sin(theta)/Lambda < 0.6].. 60.00 Deg.
Alert level C PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C28 H12 Mn N4 O8 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.562 86
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 22 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00500 Deg. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 14 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C2 H7 N2 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 C2 H7 N2 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 4 H2 O PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 5 H2 O PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 6 H2 O PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 7 H2 O PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 8 H2 O PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 9 H2 O PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 10 H2 O PLAT794_ALERT_5_G Note: Tentative Bond Valency for Mn1 (I) 0.44 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 64 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 16 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 11 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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