Information card for entry 4324026

Structure parameters

• Formula: C12 H30 Cl4 N6 O2 P2 Pt
• Calculated formula: C12 H30 Cl5 N6 O2 P2 Pt
• SMILES: [Cl-].[Cl-].O.[Pt]([P]12CN3C[NH+](C1)CN(C2)C3)([P]12CN3C[NH+](C1)CN(C2)C3)(Cl)Cl.O
• Title of publication: Water-Soluble Organometallic Compounds. 6.1Synthesis, Spectral Properties, and Crystal Structures of Complexes of 1,3,5-Triaza-7-phosphaadamantane with Group 10 Metals
• Authors of publication: Donald J. Darensbourg; Tara J. Decuir; Nicole White Stafford; Jeffrey B. Robertson; Jennifer D. Draper; Joseph H. Reibenspies; Agnes Kathó; Ferenc Joó
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4218 - 4226
• a: 10.406 ± 0.008 Å
• b: 24.22 ± 0.02 Å
• c: 9.264 ± 0.004 Å
• α: 90 ± 0°
• β: 92.69 ± 0.05°
• γ: 90 ± 0°
• Cell volume: 2332 ± 3 ų
• Cell temperature: 197 ± 2 K
• Ambient diffraction temperature: 197 ± 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: 0.0807
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.0768
• Goodness-of-fit parameter for all reflections: 0
• Goodness-of-fit parameter for significantly intense reflections: 5.0123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No