Information card for entry 7019430

Structure parameters

• Chemical name: bis-[1,3,5,7-tetra(1,2,4-triazol-4-yl)adamantane]-hexachloro- tricadmium(II) Nonahydrate
• Formula: C36 H58 Cd3 Cl6 N24 O9
• Calculated formula: C36 H40 Cd3 Cl6 N24 O9
• 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: 28.2333 ± 0.0005 Å
• b: 8.7809 ± 0.0002 Å
• c: 11.3833 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2822.08 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No