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[Contents scheme]

Acta Cryst. (2013). E69, m637-m638
[ doi:10.1107/S1600536813028894 ]

catena-Poly[N,N,N',N'-tetra­methyl­ethylendi­ammonium [[tetra­bromido­antimonate(III)]-[mu]-bromido] hemihydrate]

H. Kharrat, S. Kamoun and F. Michaud


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.950 PLAT420_ALERT_2_B D-H Without Acceptor OW - H1W ... Please Check PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 11 Why ?
Alert level C PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 1 PLAT213_ALERT_2_C Atom C6B has ADP max/min Ratio ..... 3.3 prolat PLAT234_ALERT_4_C Large Hirshfeld Difference C3 -- C4B .. 0.16 Ang. PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C3 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... N1 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... N2 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... N4 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... Sb1 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... Sb2 Check PLAT480_ALERT_4_C Long H...A H-Bond Reported H1W .. BR4 .. 3.03 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.822 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 Note PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 4 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 6 Why ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Sb1 -- Br1 .. 20.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Sb1 -- Br3 .. 16.8 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Sb1 -- Br5 .. 35.6 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Sb1 -- Br6 .. 25.8 su PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 8 Note PLAT434_ALERT_2_G Short Inter HL..HL Contact Br2 .. Br10 . 3.52 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1 PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: SB2 -- BR6 .. 3.54 Ang. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 43 C5A -N2 -C5B 1.555 1.555 1.555 23.10 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 45 C6B -N2 -C6A 1.555 1.555 1.555 32.90 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 86 H3B -C3 -H3C 1.555 1.555 1.555 44.60 Deg. PLAT794_ALERT_5_G Tentative Bond Valency for Sb1 (III) ..... 2.80 Note PLAT794_ALERT_5_G Tentative Bond Valency for Sb2 (IX) ..... 2.46 Note PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 15 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 558
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 12 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 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 15 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 7 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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