Information card for entry 4339167

Structure parameters

• Formula: C56 H64 Cl6 N6 O6 P2 Pd
• Calculated formula: C56 H64 Cl6 N6 O6 P2 Pd
• SMILES: C1N2C(N3C[P]1(CN(C2c1ccc(OC)cc1)C3c1ccc(OC)cc1)[Pd](Cl)([P]12CN3C(c4ccc(OC)cc4)N(C2)C(N(C1)C3c1ccc(OC)cc1)c1ccc(OC)cc1)Cl)c1ccc(OC)cc1.ClCCl.C(Cl)Cl
• Title of publication: Development of a series of P(CH(2)N=CHR)(3) and trisubstituted 1,3,5-Triaza-7-phosphaadamantane ligands.
• Authors of publication: Huang, Rongcai; Frost, Brian J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 10962 - 10964
• a: 14.727 ± 0.0003 Å
• b: 22.0291 ± 0.0004 Å
• c: 8.7533 ± 0.0001 Å
• α: 90°
• β: 98.813 ± 0.001°
• γ: 90°
• Cell volume: 2806.24 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0902
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No