Information card for entry 7051069

Structure parameters

• Formula: C30 H28 Cl2 N3 P Pd
• Calculated formula: C30 H28 Cl2 N3 P Pd
• SMILES: [Pd]1(Cl)([P](c2ccccc2)(c2ccccc2)CNc2ncc(Cl)cc2)[N](c2c3c1cccc3ccc2)(C)C
• Title of publication: Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies
• Authors of publication: Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 416 - 422
• a: 11.944 ± 0.003 Å
• b: 14.623 ± 0.002 Å
• c: 16.14 ± 0.002 Å
• α: 90°
• β: 91.36 ± 0.02°
• γ: 90°
• Cell volume: 2818.1 ± 0.9 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections: 1.438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.438
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No