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Acta Cryst. (2012). E68, m12-m13  [ doi:10.1107/S1600536811051348 ]

Bis([mu]-N-benzyl-N-furfuryldithiocarbamato)-1:2[kappa]3S,S':S';2:1[kappa]3S,S':S'-bis[(N-benzyl-N-furfuryldithiocarbamato-[kappa]2S,S')cadmium]

R. Kant, V. K. Gupta, K. Kapoor, P. Valarmathi and S. Thirumaran

Online 3 December 2011


Key indicators

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Alert level B PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) ....... 3
Alert level C PLAT213_ALERT_2_C Atom C22 has ADP max/min Ratio ..... 3.2 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.2 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference C21 -- C22 .. 0.20 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for S3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C4 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C10 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 10 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 65
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 31 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd1 -- S2 .. 7.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd1 -- S4_a .. 6.8 su PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C23 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C21' PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C23' PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 26 Perc. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 80 C30' -C19 -C23 1.555 1.555 1.555 18.30 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 81 O20 -C19 -C26' 1.555 1.555 1.555 11.80 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 120 C23' -C25 -C30 1.555 1.555 1.555 9.50 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 123 C26 -C25 -O20' 1.555 1.555 1.555 20.30 Deg. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 50
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 13 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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