Information card for entry 7029964

Structure parameters

• Formula: C32 H46 F12 N12 P2 Pd2
• Calculated formula: C32 H46 F12 N12 P2 Pd2
• SMILES: [Pd]12(=C3N(CC)C=CN3CN3C=1N(C=C3)CC)[n]1c(cc(C)n1[Pd]1(=C3N(C=CN3CC)CN3C=CN(C=13)CC)[n]1c(C)cc(C)n21)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 14.8227 ± 0.0004 Å
• b: 20.3413 ± 0.0005 Å
• c: 15.2998 ± 0.0005 Å
• α: 90°
• β: 112.113 ± 0.004°
• γ: 90°
• Cell volume: 4273.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No