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Acta Cryst. (2011). E67, m966  [ doi:10.1107/S1600536811023270 ]

(Naphthalene-2,3-diolato-[kappa]2O,O')[tris(2-pyridylmethyl)amine-[kappa]4N]cobalt(III) hexafluoridophosphate hemihydrate

Y.-H. Guo, Y.-M. Zhang, A.-H. Li and F. Yu

Online 25 June 2011


Key indicators

checkCIF/PLATON results

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Alert level B PLAT214_ALERT_2_B Atom F5A (Anion/Solvent) ADP max/min Ratio 5.8 prola PLAT231_ALERT_4_B Hirshfeld Test (Solvent) P1 -- F3 .. 9.3 su PLAT231_ALERT_4_B Hirshfeld Test (Solvent) P1 -- F6 .. 10.8 su
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.979 PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of P1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of P2 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.3 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 190
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 27 Perc. PLAT431_ALERT_2_G Short Inter HL..A Contact F2 .. F2 .. 2.71 Ang. PLAT432_ALERT_2_G Short Inter X...Y Contact F1 .. C4 .. 2.83 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 5 H2 O PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 65 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 5 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 5 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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