Information card for entry 7019419

Structure parameters

• Chemical name: tetrakis-[1,3-di(1,2,4-triazol-4-yl)adamantane]cadmium(II) bis-triiodocadmate(II) Tetrahydrate
• Formula: C56 H80 Cd3 I6 N24 O4
• Calculated formula: C56 H80 Cd3 I6 N24 O4
• Title of publication: 1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.
• Authors of publication: Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 28
• Pages of publication: 8675 - 8689
• a: 10.3397 ± 0.0002 Å
• b: 11.3871 ± 0.0002 Å
• c: 17.8908 ± 0.0005 Å
• α: 95.632 ± 0.001°
• β: 102.961 ± 0.001°
• γ: 115.43 ± 0.001°
• Cell volume: 1808.08 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No