Information card for entry 7001069

Structure parameters

• Formula: C132 H96 O12 P6 Pd6
• Calculated formula: C132 H96 O12 P6 Pd6
• SMILES: [Pd]1234[P](c5c([Pd]61([O]=C(O2)c1ccc(C2=[O][Pd]789[Pd]([P](c%10ccccc%10)(c%10ccccc%10)c%10ccccc9%10)([O]=C(O8)c8ccc(cc8)C8=[O][Pd]9%10%11[P](c%12ccccc%12)(c%12ccccc%12[Pd]9([P](c9c%11cccc9)(c9ccccc9)c9ccccc9)([O]=C(O%10)c9ccc(C(=[O]6)O3)cc9)O8)c3ccccc3)(O2)c2ccccc2[P]7(c2ccccc2)c2ccccc2)cc1)[P](c1c4cccc1)(c1ccccc1)c1ccccc1)cccc5)(c1ccccc1)c1ccccc1
• Title of publication: Isolation of enantiomerically pure organometallic palladium compounds: synthesis of the triangles prepared from enantiopure [cis-Pd2(C6H4PPh2)2(NCCH3)4]2+
• Authors of publication: Koshevoy, Igor O.; Gutierrez-Puebla, Enrique; Lahuerta, Pascual; Monge, Angeles; Ubeda, M.Angeles; Sanaú, Mercedes
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 2993 - 2998
• a: 13.9708 ± 0.0011 Å
• b: 17.5801 ± 0.0014 Å
• c: 62.865 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15440 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.2648
• Weighted residual factors for all reflections included in the refinement: 0.2753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No