[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m391-m392  [ doi:10.1107/S1600536813015547 ]

Bis[chloridobis(1,10-phenanthroline)copper(II)] pentacyanidonitrosoferrate(II) dimethylformamide monosolvate

J. A. Rusanova, O. V. Kozachuk and V. V. Dyakonenko


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 17
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 48 % PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent ......... 1 PLAT230_ALERT_2_C Hirshfeld Test Diff for C2 -- C3 .. 5.6 su PLAT234_ALERT_4_C Large Hirshfeld Difference Fe1 -- C27 .. 0.21 Ang. PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of N8 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0077 Ang. PLAT413_ALERT_2_C Short Inter XH3 .. XHn H8 .. H30C .. 2.13 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 18.407 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.334 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 7
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 5 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cu1 -- Cl1 .. 17.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- N7B .. 5.2 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C26 .. 6.3 su PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for N7B PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C27 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 9 % PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 80 % PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 107 C28 -N8 -C28 -O1 17.00 0.00 2.567 1.555 1.555 1.555 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 53 O7B -C27 -N7 1.555 1.555 1.555 4.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 56 C27 -N7 -N7B 1.555 1.555 1.555 7.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 57 O7B -N7B -N7 1.555 1.555 1.555 4.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 60 C27 -O7B -N7B 1.555 1.555 1.555 7.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 182 C29 -C30 -H30A 2.567 1.555 1.555 43.60 Deg. PLAT793_ALERT_4_G The Model has Chirality at C27 (Verify) .... S PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.22 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 5 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... ! Check
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 21 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 9 ALERT type 3 Indicator that the structure quality may be low 10 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster