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Acta Cryst. (2011). E67, m790-m791  [ doi:10.1107/S1600536811018290 ]

A one-dimensional coordination polymer constructed from isatine-3-oximate and sodium

B. Barreto Martins, L. Bresolin, V. Santana Carratu, M. Boneberger Behm and A. Bof de Oliveira

Online 25 May 2011


Key indicators

checkCIF/PLATON results

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Alert level A PLAT706_ALERT_1_A H...A Calc 2.56(2), Rep 1.97(2), Dev.. 29.50 Sigma H21 -O21 1.555 1.555 # 70 PLAT707_ALERT_1_A D...A Calc 2.311(2), Rep 2.846(5), Dev.. 267.50 Sigma N21 -O21 1.555 1.555 # 70 PLAT708_ALERT_1_A D-H..A Calc 63.5(13), Rep 175(2), Dev.. 85.77 Sigma N21 -H21 -O21 1.555 1.555 1.555 # 128
Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for N31 -- C38 .. 8.50 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C33 -- C34 .. 10.61 su
Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O11 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Na PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.28 PLAT355_ALERT_3_C Long O-H Bond (0.82A) O32 - H32 ... 1.01 Ang. PLAT737_ALERT_1_C D...A Calc 2.311(2), Rep 2.846(5) ...... 2.50 su-Ra N21 -O21 1.555 1.555 # 70 PLAT737_ALERT_1_C D...A Calc 3.2261(19), Rep 3.226(4) ...... 2.11 su-Ra O22 -N12 1.555 1.555 # 70 PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: NA -- NA .. 3.79 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: NA -- NA .. 3.86 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 83
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.74 mm PLAT154_ALERT_1_G The su's on the Cell Angles are Equal (x 10000) 200 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 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4
3 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 10 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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