Information card for entry 2220177

Structure parameters

• Chemical name: [μ-2,2,4,4,6,6-Hexakis(3,5-dimethylpyrazol-1-yl)-2λ^5^,4λ^5^,6λ^5^- 1,3,5,2,4,6-triazatriphosphinine]bis[bis(nitrato- κ^2^<i>O</i>,<i>O</i>')cadmium(II)]
• Formula: C30 H42 Cd2 N19 O12 P3
• Calculated formula: C30 H42 Cd2 N19 O12 P3
• SMILES: c1(cc(C)[n]2n1P1(=[N]3[Cd]452([n]2c(C)cc(n2P23=[N]3P(=N1)(n1c(cc(C)[n]1[Cd]163([n]3n2c(cc3C)C)(ON(=[O]1)=O)ON(=[O]6)=O)C)n1c(cc(n1)C)C)C)(ON(=[O]4)=O)ON(=[O]5)=O)n1c(cc(n1)C)C)C
• Title of publication: [μ-2,2,4,4,6,6-Hexakis(3,5-dimethylpyrazol-1-yl)-2λ^5^,4λ^5^,6λ^5^-1,3,5,2,4,6-triazatriphosphinine]bis[bis(nitrato- κ^2^<i>O</i>,<i>O</i>')cadmium(II)]
• Authors of publication: Yun, Sung Yol; Lee, Soon W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1513
• a: 28.2418 ± 0.0005 Å
• b: 36.2033 ± 0.0006 Å
• c: 10.3673 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10600 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes