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Acta Cryst. (2013). E69, m175
[ doi:10.1107/S1600536813005205 ]

catena-Poly[[bis[4-(dimethylamino)pyridine-[kappa]N1]cobalt(II)]-di-[mu]-azido-[kappa]4N1:N3]

F. Guenifa, O. Zeghouan, N. Hadjadj, L. Bendjeddou and H. Merazig


Key indicators

checkCIF/PLATON results

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Alert level A DIFF019_ALERT_1_A _diffrn_standards_number is missing Number of standards used in measurement. DIFF020_ALERT_1_A _diffrn_standards_interval_count and _diffrn_standards_interval_time are missing. Number of measurements between standards or time (min) between standards. DIFF022_ALERT_1_A _diffrn_standards_decay_% is missing Percentage decrease in standards intensity. ABSMU01_ALERT_1_A The ratio of given/expected absorption coefficient lies outside the range 0.90 <> 1.10 Calculated value of mu = 0.000 Value of mu given = 1.016 CHEMW01_ALERT_1_A The ratio of given/expected molecular weight as calculated from the _chemical_formula_sum lies outside the range 0.90 <> 1.10 Calculated formula weight = 0.0000 Formula weight given = 387.3300 DIFMN02_ALERT_2_A The minimum difference density is < -0.1*ZMAX*2.00 _refine_diff_density_min given = -0.372 Test value = 0.000 DIFMX01_ALERT_2_A The maximum difference density is > 0.1*ZMAX*2.00 _refine_diff_density_max given = 0.427 Test value = 0.000
Alert level B CHEMS01_ALERT_1_B The sum formula contains an invalid character. WARNING - The character [ is not allowed in the _chemical_formula_su CHEMS01_ALERT_1_B The sum formula contains an invalid character. WARNING - The character ( is not allowed in the _chemical_formula_su CHEMS01_ALERT_1_B The sum formula contains an invalid character. WARNING - The character ) is not allowed in the _chemical_formula_su CHEMS01_ALERT_1_B The sum formula contains an invalid character. WARNING - The character ( is not allowed in the _chemical_formula_su CHEMS01_ALERT_1_B The sum formula contains an invalid character. WARNING - The character ) is not allowed in the _chemical_formula_su CHEMS01_ALERT_1_B The sum formula contains an invalid character. WARNING - The character ] is not allowed in the _chemical_formula_su CHEMS01_ALERT_1_B The sum formula contains elements in the wrong order. N precedes C Sequence must be alphabetical for inorganic structures.
Alert level C DIFMN03_ALERT_1_C The minimum difference density is < -0.1*ZMAX*0.75 The relevant atom site should be identified. DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.585 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: Atom count from _chemical_formula_moiety:C14 H20 Co1 N10 FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum: Atom count from the _atom_site data: C14 H20 Co1 N10 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G ALERT: Large difference may be due to a symmetry error - see SYMMG tests From the CIF: _cell_formula_units_Z 4 From the CIF: _chemical_formula_sum [Co (N3)2 (C7 H10 N2)2] TEST: Compare cell contents of formula and atom_site data WARNING: Unexpected atom type is in site list: Co WARNING: Unexpected atom type is in site list: C WARNING: Formula and atom_type_symbol element names mismatch. atom Z*formula cif sites diff [Co 4.00 0.00 4.00 (N 12.00 0.00 12.00 ) 8.00 0.00 8.00 (C 28.00 0.00 28.00 H 40.00 80.00 -40.00 N 8.00 40.00 -32.00 ] 4.00 0.00 4.00 WARNING: Site labels do not match formula elements CHEMS02_ALERT_1_G Please check that you have entered the correct _publ_requested_category classification of your compound; FI or CI or EI for inorganic; FM or CM or EM for metal-organic; FO or CO or EO for organic. From the CIF: _publ_requested_category FO From the CIF: _chemical_formula_sum: PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00500 Ang. PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 9
7 ALERT level A = Most likely a serious problem - resolve or explain 7 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 22 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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