Information card for entry 4504186

Structure parameters

• Formula: C24 H43 N O3 P2 Pd
• Calculated formula: C24 H43 N O3 P2 Pd
• SMILES: [Pd]12([P](Cc3c1c(ccc3)C[P]2(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)ON(=O)=O
• Title of publication: Hydrogen Bond Control of Dimensionality in Organometallic {2,6-Bis[(di-t-butylphosphino)methyl]phenyl}palladium(II) Compounds: Dimers, Chains, and a 3D-Net with an Apparent Channel Structure
• Authors of publication: Johansson, Roger; Öhrström, Lars; Wendt, Ola F.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 1974
• a: 9.8937 ± 0.0004 Å
• b: 14.9532 ± 0.0007 Å
• c: 18.5593 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2745.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No