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Acta Cryst. (2014). E70, m170-m171
[ doi:10.1107/S1600536814007235 ]

Poly[[tetra-[mu]-cyanido-[kappa]8C:N-dodeca-cyanido-[kappa]12C-tris­(N,N-di­methyl­formamide-[kappa]O)tris­(methanol-[kappa]O)tris­(3,4,7,8-tetra­methyl-1,10-phenanthroline-[kappa]2N,N')trimanganese(II)ditungstate(V)] dihydrate]

F.-L. Yang and D. Yang


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT015_ALERT_5_A No _shelx_hkl_file record in SHELXL20xy CIF ... Please Do !
Alert level B PLAT420_ALERT_2_B D-H Without Acceptor O2 - H2B ... Please Check PLAT420_ALERT_2_B D-H Without Acceptor O4 - H4B ... Please Check PLAT420_ALERT_2_B D-H Without Acceptor O6 - H6B ... Please Check PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 2 Check PLAT973_ALERT_2_B Check Calcd Positive Residual Density on W2 1.58 eA-3
Alert level C PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0082 Ang. PLAT741_ALERT_1_C Bond Calc 1.391(5), Rep 1.39000 ...... Missing su C52 -C53 1.555 1.555 # 112 PLAT741_ALERT_1_C Bond Calc 1.390(5), Rep 1.39000 ...... Missing su C52 -C60 1.555 1.555 # 113 PLAT741_ALERT_1_C Bond Calc 1.390(5), Rep 1.39000 ...... Missing su C53 -C54 1.555 1.555 # 114 PLAT741_ALERT_1_C Bond Calc 1.390(5), Rep 1.39000 ...... Missing su C54 -C55 1.555 1.555 # 116 PLAT741_ALERT_1_C Bond Calc 1.389(4), Rep 1.39000 ...... Missing su C55 -C59 1.555 1.555 # 118 PLAT741_ALERT_1_C Bond Calc 1.390(5), Rep 1.39000 ...... Missing su C59 -C60 1.555 1.555 # 121 PLAT742_ALERT_1_C Angle Calc 120.0(3), Rep 120.00 ...... Missing su C53 -C52 -C60 1.555 1.555 1.555 # 146 PLAT742_ALERT_1_C Angle Calc 120.0(3), Rep 120.00 ...... Missing su C54 -C53 -C52 1.555 1.555 1.555 # 149 PLAT742_ALERT_1_C Angle Calc 120.0(3), Rep 120.00 ...... Missing su C53 -C54 -C55 1.555 1.555 1.555 # 152 PLAT742_ALERT_1_C Angle Calc 120.1(3), Rep 120.00 ...... Missing su C59 -C55 -C54 1.555 1.555 1.555 # 155 PLAT742_ALERT_1_C Angle Calc 120.0(3), Rep 120.00 ...... Missing su C55 -C59 -C60 1.555 1.555 1.555 # 160 PLAT742_ALERT_1_C Angle Calc 120.0(3), Rep 120.00 ...... Missing su C59 -C60 -C52 1.555 1.555 1.555 # 163 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 271 Why ? PLAT918_ALERT_3_C Reflection(s) with I(obs) much smaller I(calc) . 4 Check PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S . 78.58 PLAT973_ALERT_2_C Check Calcd Positive Residual Density on W1 1.40 eA-3
Alert level G PLAT004_ALERT_5_G Polymeric Structure Found with Dimension ....... 1 Info PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 15 Why ? PLAT066_ALERT_1_G Predicted and Reported Tmin&Tmax Range Identical ? Check PLAT302_ALERT_4_G Anion/Solvent Disorder ............ Percentage = 100 Note PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C36 -C44 1.42 Ang. PLAT380_ALERT_4_G Incorrectly? Oriented X(sp2)-Methyl Moiety ..... C45 Check PLAT380_ALERT_4_G Incorrectly? Oriented X(sp2)-Methyl Moiety ..... C61 Check PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 12 Note PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 2 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 288 Note
1 ALERT level A = Most likely a serious problem - resolve or explain 5 ALERT level B = A potentially serious problem, consider carefully 17 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 13 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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