Information card for entry 2015737

Structure parameters

• Chemical name: {2-[2-(benzylideneamino)phenyl]-1,2-bis(methoxycarbonyl)ethenyl- κ^2^C^1^,N}iodo(triphenylphosphine-κP)palladium(II)
• Formula: C37 H31 I N O4 P Pd
• Calculated formula: C37 H31 I N O4 P Pd
• SMILES: [Pd]1(C(=C(c2c([N]1=Cc1ccccc1)cccc2)C(=O)OC)C(=O)OC)(I)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: An organometallic compound with <i>Z</i>' = 4: {2-[2-(benzylideneamino)phenyl]-1,2-bis(methoxycarbonyl)ethenyl-κ^2^<i>C</i>^1^,<i>N</i>}iodo(triphenylphosphine-κ<i>P</i>)palladium(II)
• Authors of publication: Jones, Peter G.; López-Serrano, Joaquín
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m16 - m18
• a: 16.6938 ± 0.0011 Å
• b: 22.1074 ± 0.0015 Å
• c: 36.666 ± 0.003 Å
• α: 90°
• β: 94.46 ± 0.004°
• γ: 90°
• Cell volume: 13490.8 ± 1.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes