Information card for entry 7001070

Structure parameters

• Formula: C150 H108 O12 P6 Pd6
• Calculated formula: C150 H108 O12 P6 Pd6
• SMILES: C12c3ccc(cc3)c3ccc(cc3)C3=[O][Pd]456[O]=C(c7ccc(c8ccc(cc8)C8=[O][Pd]9%10%11[O]=C(c%12ccc(c%13ccc(C%14=[O][Pd]%15%16([O]=1)[P](c1c(cccc1)[Pd]%16(O2)(O%14)[P](c1c%15cccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cc%13)cc%12)O[Pd]%11(O8)([P](c1c%10cccc1)(c1ccccc1)c1ccccc1)c1c([P]9(c2ccccc2)c2ccccc2)cccc1)cc7)O[Pd]6(O3)([P](c1c5cccc1)(c1ccccc1)c1ccccc1)c1c([P]4(c2ccccc2)c2ccccc2)cccc1
• 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: 25.531 ± 0.002 Å
• b: 25.531 ± 0.002 Å
• c: 21.106 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11914 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No