Information card for entry 7019421

Structure parameters

• Common name: bis-(1,3,5-tri(1,2,4-triazol-4-yl)adamantane)cadmium(ii) Nitrate Hexahydrate
• Chemical name: bis-[1,3,5-tri(1,2,4-triazol-4-yl)adamantane]cadmium(II) Nitrate Hexahydrate
• Formula: C32 H50 Cd N20 O12
• Calculated formula: C32 H38 Cd N19.9998 O11.9994
• 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: 11.5603 ± 0.0002 Å
• b: 11.5603 ± 0.0002 Å
• c: 53.0233 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6136.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No