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The title N-heterocyclic carbene (NHC)-palladium complex, [PdBr2(C9H12N4)], an important precursor for catalytic reactions, exhibits a slightly distorted square-planar geometry at the Pd center, with two Br atoms in cis position, and is isostructural with the Pt analog [Muehlhofer, Strassner, Herdtweck & Hermann (2002). J. Organomet. Chem. 660, 121-126].

Supporting information


Crystallographic Information File (CIF)
Contains datablocks global, I


Structure factor file (CIF format)
Contains datablock I

CCDC reference: 226639

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.034
  • wR factor = 0.095
  • Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pd - Br1 = 8.87 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pd - Br2 = 6.66 su
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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 0 ALERT type 4 Improvement, methodology, query or suggestion

(IUCr) Crystallography Journals Online - supporting information

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