[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m200-m201
[ doi:10.1107/S1600536813006521 ]

[1,2-Bis(diisopropylphosphanyl)ethane-[kappa]2P,P'](carbonato-[kappa]2O,O')nickel(II)

I. Morales-Becerril, M. Flores-Alamo and J. J. Garcia


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B Crystal system given = monoclinic PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 30
Alert level C PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0062 Ang PLAT480_ALERT_4_C Long H...A H-Bond Reported H5A1 .. O3A .. 2.70 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H4A3 .. O1A .. 2.69 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H8C1 .. O3C .. 2.71 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 8.472 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.308 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 26 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Ni1C 1.11 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Ni1A 1.01 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 1.04A from O1A . -0.84 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 2 O3A -C15A-NI1A-O1A 68.00 13.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 4 O3A -C15A-NI1A-O2A -112.00 13.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 6 O3A -C15A-NI1A-P1A 65.00 13.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 9 O3A -C15A-NI1A-P2A -106.00 13.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 16 P2A -NI1A-O1A -C15A 28.00 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 64 O1A -NI1A-P2A -C6A 52.50 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 68 O1A -NI1A-P2A -C2A 165.20 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 72 O1A -NI1A-P2A -C3A -74.10 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 77 O3B -C15B-NI1B-O2B 102.00 14.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 79 O3B -C15B-NI1B-O1B -79.00 14.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 81 O3B -C15B-NI1B-P2B 101.00 14.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 84 O3B -C15B-NI1B-P1B -79.00 14.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 90 P2B -NI1B-O1B -C15B 1.00 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 96 P1B -NI1B-O2B -C15B -5.00 0.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 112 O2B -NI1B-P1B -C9B 63.80 0.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 116 O2B -NI1B-P1B -C12B -58.20 0.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 120 O2B -NI1B-P1B -C1B -176.40 0.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 140 O1B -NI1B-P2B -C2B -160.40 0.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 144 O1B -NI1B-P2B -C3B -41.80 0.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 148 O1B -NI1B-P2B -C6B 85.00 0.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 152 O3C -C15C-NI1C-O2C 89.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 154 O3C -C15C-NI1C-O1C -94.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 156 O3C -C15C-NI1C-P2C 84.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 159 O3C -C15C-NI1C-P1C -93.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 171 P1C -NI1C-O2C -C15C -6.90 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 187 O2C -NI1C-P1C -C9C 67.80 0.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 191 O2C -NI1C-P1C -C1C -172.20 0.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 195 O2C -NI1C-P1C -C12C -54.20 0.70 1.555 1.555 1.555 1.555 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 48
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 31 ALERT level G = General information/check it is not something unexpected 0 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 6 ALERT type 3 Indicator that the structure quality may be low 33 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL006_ALERT_1_A _publ_requested_journal is missing e.g. 'Acta Crystallographica Section C'
1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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