Information card for entry 7001071

Structure parameters

• Formula: C76 H68 Br4 O2 P4 Pd4
• Calculated formula: C76 H68 Br4 O2 P4 Pd4
• SMILES: OCC.[P]1(c2c(cccc2)[Pd]23[P](c4c(cccc4)[Pd]41[Br][Pd]1([P](c5c(cccc5)[Pd]([Br]2)([P](c2c1cccc2)(c1ccccc1)c1ccccc1)[Br]3)(c1ccccc1)c1ccccc1)[Br]4)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.OCC
• 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: 22.138 ± 0.003 Å
• b: 22.138 ± 0.003 Å
• c: 14.532 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7122 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No