Information card for entry 7018838

Structure parameters

• Chemical name: Trans-bis[(2H-phenylazirine)dichlorido]palladium(II)
• Formula: C16 H14 Cl2 N2 Pd
• Calculated formula: C16 H14 Cl2 N2 Pd
• SMILES: [Pd](Cl)(Cl)([N]1CC=1c1ccccc1)[N]1CC=1c1ccccc1
• Title of publication: Synthesis, structural characterization, antimicrobial and cytotoxic effects of aziridine, 2-aminoethylaziridine and azirine complexes of copper(ii) and palladium(ii)
• Authors of publication: Budzisz, E.; Bobka, R.; Hauss, A.; Roedel, J. N.; Wirth, S.; Lorenz, I.-P.; Rozalska, B.; Więckowska-Szakiel, M.; Krajewska, U.; Rozalski, M.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5925
• a: 21.4333 ± 0.0005 Å
• b: 5.6449 ± 0.0001 Å
• c: 12.6506 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1530.58 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No