Information card for entry 7037259

Structure parameters

• Formula: C44 H40 Cr2 N2 O6 Pd2
• Calculated formula: C44 H40 Cr2 N2 O6 Pd2
• SMILES: c12ccccc1C[N](C)(C)[Pd]12C2[c]34[cH]5[cH]6[cH]7[cH]8[c]3(C(=C2)CCC2=CC3[c]9%10[cH]%11[cH]%12[cH]%13[cH]%14[c]29[Cr]%10%11%12%13%14(C#[O])(C#[O])(C#[O])[Pd]23c3ccccc3C[N]2(C)C)[Cr]145678(C#[O])(C#[O])C#[O]
• Title of publication: New Pd(ii) hemichelates devoid of incipient bridging COPd interactions.
• Authors of publication: Werlé, Christophe; Anstine, Dylan M.; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 607 - 617
• a: 7.6062 ± 0.0004 Å
• b: 9.353 ± 0.0005 Å
• c: 17.0014 ± 0.0009 Å
• α: 103.793 ± 0.001°
• β: 100.439 ± 0.001°
• γ: 98.617 ± 0.001°
• Cell volume: 1131.34 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No