Information card for entry 4073368

Structure parameters

• Formula: C59.5 H69 Cl4 N5 O17.5 P4 Pd2
• Calculated formula: C58 H65.5 Cl4 N4.5 O17 P4 Pd2
• SMILES: [Pd]12([NH2]CC[NH2]1)[P](C=C[P]([Pd]1([NH2]CC[NH2]1)[P](C=C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].CO.CN(C)C=O
• Title of publication: Self-Assembly of Metallamacrocycles via a Rigid Phosphorus Donor Linker#
• Authors of publication: Ghosh, Sushobhan; Mukherjee, Partha Sarathi
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3362
• a: 12.0427 ± 0.0005 Å
• b: 24.4381 ± 0.0011 Å
• c: 23.0694 ± 0.001 Å
• α: 90°
• β: 96.068 ± 0.004°
• γ: 90°
• Cell volume: 6751.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No