Information card for entry 4310446

Structure parameters

• Common name: compound_6
• Formula: C24 H44 Cl4 N13 O2 P3 Pd2
• Calculated formula: C24 H44 Cl4 N13 O2 P3 Pd2
• SMILES: [Pd]1(Cl)(Cl)[N]2=P3([N]([Pd](Cl)(Cl)[n]4c(N3)cccc4)=P3(N=P42N(CCN4C)C)N(CCN3C)C)Nc2[n]1cccc2.O=CN(C)C.O=CN(C)C
• Title of publication: Generation of Spirotricyclic Site-Differentiated Cyclotriphosphazenes: A Solvent-Free Approach to Multidentate N/O Donor Ligand Systems
• Authors of publication: Michael Harmjanz; Ingmar M. Piglosiewicz; Brian L. Scott; Carol J. Burns
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 642 - 650
• a: 20.712 ± 0.007 Å
• b: 10.281 ± 0.003 Å
• c: 38.104 ± 0.011 Å
• α: 90°
• β: 96.866 ± 0.009°
• γ: 90°
• Cell volume: 8056 ± 4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No