Information card for entry 4321406

Structure parameters

• Formula: C29.5 H40 Cl4 N2 O4 P2
• Calculated formula: C29.5 H36 Cl4 N2 O4 P2
• Title of publication: Synthesis and Structural Characterization of a New Class of Macrocycles Based on a Cyclodiphosphazane Skeleton
• Authors of publication: Praveen Kommana; K. C. Kumara Swamy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4384 - 4385
• a: 20.254 ± 0.006 Å
• b: 20.386 ± 0.003 Å
• c: 18.146 ± 0.004 Å
• α: 90°
• β: 111.49 ± 0.02°
• γ: 90°
• Cell volume: 6972 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1048
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No