Information card for entry 2008814

Structure parameters

• Formula: C60 H58 Cl6 N2 Ni O2 P2 Pd2
• Calculated formula: C60 H58 Cl6 N2 Ni O2 P2 Pd2
• SMILES: CC1[C@@H]2[Pd]([Cl][Ni]345([O]=1)[N](=C2C)CC[N]3=C([C@H](C(C)=[O]4)[Pd]([Cl]5)(Cl)Cl)C)(Cl)Cl.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC1[C@H]2[Pd]([Cl][Ni]345([O]=1)[N](=C2C)CC[N]3=C([C@@H](C(C)=[O]4)[Pd]([Cl]5)(Cl)Cl)C)(Cl)Cl.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A trinuclear Pd~2~Ni complex, [(C~6~H~5~)~4~ P]~2~[(PdCl~3~)~2~{Ni(C~12~H~18~N~2~O~2~)}]
• Authors of publication: Kamiyama, Asako; Kajiwara, Takashi; Ito, Tasuku
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1282 - 1284
• a: 25.493 ± 0.0013 Å
• b: 49.577 ± 0.003 Å
• c: 9.1095 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11513.2 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No