Information card for entry 7715758

Structure parameters

• Formula: C40 H32 Br Fe N O2 P2 Pd
• Calculated formula: C40 H32 Br Fe N O2 P2 Pd
• SMILES: [Pd]1(Br)([P]([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([P]1(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[cH]%102)(c1ccccc1)c1ccccc1)c1ccc(cc1)N(=O)=O
• Title of publication: Unveiling the promising anticancer activity of palladium(II)-aryl complexes bearing diphosphine ligands: a structure-activity relationship analysis.
• Authors of publication: Tonon, Giovanni; Mauceri, Matteo; Cavarzerani, Enrico; Piccolo, Rachele; Santo, Claudio; Demitri, Nicola; Orian, Laura; Nogara, Pablo A.; Rocha, João Batista T; Canzonieri, Vincenzo; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 8463 - 8477
• a: 21.451 ± 0.004 Å
• b: 9.566 ± 0.002 Å
• c: 16.916 ± 0.003 Å
• α: 90°
• β: 95.9 ± 0.03°
• γ: 90°
• Cell volume: 3452.8 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.0853
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.62 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No