Information card for entry 2200463

Structure parameters

• Formula: C18 H24 Cl2 N6 P2 Pd
• Calculated formula: C18 H24 Cl2 N6 P2 Pd
• SMILES: C(CC#N)[P](CCC#N)([Pd]([P](CCC#N)(CCC#N)CCC#N)(Cl)Cl)CCC#N
• Title of publication: Dichloro-<i>trans</i>-bis[tris(2-cyanoethyl)phosphine]palladium(II)
• Authors of publication: Lawrence, Simon E.; Kelly, Maureen; Ní Dhubhghaill, Orla M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: m272 - m273
• a: 9.1308 ± 0.0011 Å
• b: 14.0077 ± 0.0019 Å
• c: 19.012 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2431.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes