[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m149
[ doi:10.1107/S1600536813003358 ]

Poly[tris(dimethylformamide)([mu]3-2,4,6-triiodobenzene-1,3,5-tricarboxylato)samarium(III)]

B. Yan, D. Sheng and Y. Yang


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.8 Ratio
Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Sm1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.1 PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C1 - C2 ... 1.53 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 31 A   3 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT955_ALERT_1_C Reported and Actual Lmax Values in FCF Differ by 2
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 27.35 From the CIF: _reflns_number_total 2143 From the CIF: _diffrn_reflns_limit_ max hkl 7. 18. 12. From the CIF: _diffrn_reflns_limit_ min hkl -12. 0. -16. TEST1: Expected hkl limits for theta max Calculated maximum hkl 18. 18. 18. Calculated minimum hkl -18. -18. -18. PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT152_ALERT_1_G The Supplied and Calc. Volume s.1. Differ by ... 4 Units PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 5 SM1 -C1 -C2 -C3 172.00 2.00 1.555 1.555 1.555 12.554 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 8 SM1 -C1 -C2 -C3 -8.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 51 C2 -C1 -SM1 -O3 -156.00 2.00 1.555 1.555 1.555 7.665 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 54 C2 -C1 -SM1 -O3 120.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 57 C2 -C1 -SM1 -O3 -168.00 2.00 1.555 1.555 1.555 10.646 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 60 C2 -C1 -SM1 -O2 -41.00 2.00 1.555 1.555 1.555 10.646 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 62 C2 -C1 -SM1 -O2 -70.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 65 C2 -C1 -SM1 -O2 41.00 2.00 1.555 1.555 1.555 7.665 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 67 C2 -C1 -SM1 -O1 115.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 70 C2 -C1 -SM1 -O1 41.00 2.00 1.555 1.555 1.555 7.665 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 73 C2 -C1 -SM1 -O1 -92.00 2.00 1.555 1.555 1.555 10.646 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 76 C2 -C1 -SM1 -C1 -67.00 2.00 1.555 1.555 1.555 10.646 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 79 C2 -C1 -SM1 -C1 40.00 2.00 1.555 1.555 1.555 7.665 PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.21 Ratio PLAT950_ALERT_5_G Reported and Calculated Hmax Values Differ by .. 6 PLAT952_ALERT_5_G Reported and Calculated Lmax Values Differ by .. 2
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 20 ALERT level G = General information/check it is not something unexpected 3 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 1 ALERT type 3 Indicator that the structure quality may be low 14 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster