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Acta Cryst. (2009). E65, m138  [ doi:10.1107/S1600536808043493 ]

Dichlorido{[2-(diphenylphosphino)phenyliminomethyl]ferrocene-[kappa]2N,P}platinum(II) dichloromethane hemisolvate

Y. Xie, Y. Wei, J.-G. Hu, J.-S. Zhao and F.-X. Jiang

Online 8 January 2009


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Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for C20 -- C21 .. 12.01 su PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for Fe PLAT331_ALERT_2_B Small Average Phenyl C-C Dist. C12 -C17 1.35 Ang.
Alert level C Value of measurement temperature given = 293.000 Value of melting point given = 0.000 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.11 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.14 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for P -- C12 .. 6.91 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C4 -- C5 .. 5.88 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C14 -- C15 .. 6.05 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C24 -- C29 .. 6.03 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C25 -- C26 .. 6.52 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pt -- Cl1 .. 6.03 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Fe -- C4 .. 8.03 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C4 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C5 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C20 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT076_ALERT_1_C Occupancy 0.50 less than 1.0 for Sp.pos . C30 PLAT076_ALERT_1_C Occupancy 0.50 less than 1.0 for Sp.pos . C31 PLAT158_ALERT_4_C The Input Unitcell is NOT Standard/Reduced ..... ? PLAT234_ALERT_4_C Large Hirshfeld Difference Fe -- C1 .. 0.12 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference Fe -- C3 .. 0.12 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference Fe -- C5 .. 0.11 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C2 -- C3 .. 0.13 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C3 -- C4 .. 0.11 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C6 -- C7 .. 0.11 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C7 -- C8 .. 0.12 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C7 -- C11 .. 0.12 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C12 -- C13 .. 0.11 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C12 -- C17 .. 0.12 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C15 -- C16 .. 0.11 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C16 -- C17 .. 0.12 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C19 -- C20 .. 0.10 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C22 -- C23 .. 0.13 Ang.
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 26.00 From the CIF: _reflns_number_total 5902 Count of symmetry unique reflns 3366 Completeness (_total/calc) 175.34% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2536 Fraction of Friedel pairs measured 0.753 Are heavy atom types Z>Si present yes PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 24 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 Anion/Solvent Disorder ......................... 50.00 Perc.
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 33 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 15 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 17 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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