Information card for entry 4322016

Structure parameters

• Formula: C19 H42 Cl2 N9 O2 P3 Pd
• Calculated formula: C19 H42 Cl2 N9 O2 P3 Pd
• SMILES: [Pd](Cl)([P]12CN3CN(C2)CN(C1)C3)([P]12CN3CN(C1)CN(C2)C3)[P]12CN3CN(C2)CN(C1)C3.[Cl-].O.OC
• Title of publication: Water-Soluble Organometallic Compounds. 7.1 Further Studies of 1,3,5-Triaza-7-Phosphaadamantane Derivatives of Group 10 Metals, Including Metal Carbonyls and Hydrides
• Authors of publication: Donald J. Darensbourg; Jeffrey B. Robertson; David L. Larkins; Joseph H. Reibenspies
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2473 - 2481
• a: 10.796 ± 0.003 Å
• b: 21.225 ± 0.003 Å
• c: 12.677 ± 0.002 Å
• α: 90°
• β: 100.49 ± 0.02°
• γ: 90°
• Cell volume: 2856.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0785
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections: 0.2514
• Weighted residual factors for significantly intense reflections: 0.1748
• Goodness-of-fit parameter for all reflections: 0.904
• Goodness-of-fit parameter for significantly intense reflections: 0.706
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No