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Acta Cryst. (2009). E65, m1033-m1034  [ doi:10.1107/S1600536809030165 ]

Di-[mu]-cyanido-1:2[kappa]2C:N,2:3[kappa]2N:C-hexacyanido-1[kappa]3C,3[kappa]3C-tetrakis(1,10-phenanthroline)-1[kappa]2N,N';2[kappa]4N,N';3[kappa]2N,N'-1,3-dicobalt(III)-2-iron(II) tetrahydrate

Y. Zhang, A.-H. Yuan, H. Zhou, J.-X. Guo and L. Liu

Online 8 August 2009


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Co1 -- C2 .. 11.55 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Co1 -- C7 .. 10.31 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Co1 -- C8 .. 11.01 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Co2 -- C5 .. 11.74 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Fe1 -- N1 .. 11.02 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Fe1 -- N2 .. 14.18 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Fe1 -- N9 .. 19.54 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Fe1 -- N10 .. 18.64 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Fe1 -- N11 .. 25.53 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Fe1 -- N12 .. 12.09 su PLAT432_ALERT_2_B Short Inter X...Y Contact C18 .. O4B .. 2.86 Ang. PLAT063_ALERT_4_B Crystal Size Likely too Large for Beam Size .... 0.74 mm
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.78 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C10 -- C11 .. 5.18 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co1 -- C6 .. 8.85 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co2 -- C1 .. 9.34 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co2 -- C3 .. 9.77 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co2 -- C4 .. 8.73 su PLAT417_ALERT_2_C Short Inter D-H..H-D H1B .. H3C .. 2.12 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact C17 .. O4B .. 2.98 Ang. PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) 300 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 H2 O PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 4 H2 O
Alert level G PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C12 -C20 1.41 Ang. PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C24 -C32 1.41 Ang. PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C36 -C44 1.41 Ang. PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C48 -C56 1.41 Ang. PLAT062_ALERT_4_G Rescale T(min) & T(max) by ..................... 0.96 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal (x 10000) 3000 Deg. PLAT302_ALERT_4_G Note Anion/Solvent Disorder .................... 33.00 Perc.
0 ALERT level A = In general: serious problem 12 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 7 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 23 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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