Information card for entry 7019429

Structure parameters

• Common name: (1,3,5,7-tetrakis(1,2,4-triazol-4- yl)adamantane)aquacopper(ii) Perchlorate Trihydrate
• Chemical name: [1,3,5,7-tetrakis(1,2,4-triazol-4-yl)adamantane]aquacopper(II) Perchlorate Trihydrate
• Formula: C18 H28 Cl2 Cu N12 O12
• Calculated formula: C18 H22 Cl2 Cu N12 O12
• 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: 17.1623 ± 0.0013 Å
• b: 13.156 ± 0.0008 Å
• c: 12.8631 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2904.3 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No