Information card for entry 7029963

Structure parameters

• Formula: C30 H35 F12 N11 P2 Pd2 S2
• Calculated formula: C30 H35 F12 N11 P2 Pd2 S2
• SMILES: [Pd]12(Sc3[n]([Pd]4(Sc5[n]1cccc5)=C1N(C=CN1C)CN1C=4N(C)C=C1)cccc3)=C1N(CN3C=2N(C)C=C3)C=CN1C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Synthesis of [PdL(NH3)2](PF6)2 (L = 1,1'-di(alkyl)-3,3'-methylenediimidazolin-2,2'-diylidene) complexes and their reactivities towards N-donors.
• Authors of publication: Chen, Chao; Chen, Wanzhi; Qiu, Huayu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 43
• Pages of publication: 13405 - 13412
• a: 15.747 ± 0.0004 Å
• b: 15.2248 ± 0.0005 Å
• c: 17.4931 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4193.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No