Information card for entry 7203212

Structure parameters

• Common name: 1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate
• Chemical name: 1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate
• Formula: C36 H46 Cl6 O16 P4
• Calculated formula: C36 H46 Cl6 O16 P4
• Title of publication: An adamantane-based tetraphosphonic acid that forms an open diamondoid net via a hydrogen-bonded phosphonic acid?water cluster
• Authors of publication: Jones, Katherine M. E.; Mahmoudkhani, Amir H.; Chandler, Brett D.; Shimizu, George K. H.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 303
• a: 12.4153 ± 0.0018 Å
• b: 12.4153 ± 0.0018 Å
• c: 7.3494 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1132.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No