Information card for entry 7029966

Structure parameters

• Formula: C15 H27 F12 N9 P2 Pd
• Calculated formula: C15 H27 F12 N9 P2 Pd
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Pd]12([N](=C(N[NH2]1)C)N)=C1N(CC)C=CN1CN1C=2N(C=C1)CC.[P](F)(F)(F)(F)(F)[F-].C(#N)C
• 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: 9.413 ± 0.0005 Å
• b: 11.0655 ± 0.0005 Å
• c: 13.8876 ± 0.0006 Å
• α: 87.178 ± 0.004°
• β: 83.506 ± 0.004°
• γ: 72.214 ± 0.004°
• Cell volume: 1368.39 ± 0.12 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: 0.0434
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No