Information card for entry 7029965

Structure parameters

• Formula: C22 H32 F12 N8 P2 Pd
• Calculated formula: C22 H32 F12 N8 P2 Pd
• SMILES: C12N(CC)C=CN1CN1C(=[Pd]3=2=C2N(CC)C=CN2CN2C=3N(C=C2)CC)N(C=C1)CC.[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: 7.9986 ± 0.0005 Å
• b: 10.166 ± 0.0007 Å
• c: 11.0073 ± 0.0007 Å
• α: 62.877 ± 0.007°
• β: 76.974 ± 0.006°
• γ: 89.553 ± 0.005°
• Cell volume: 771.45 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No