Information card for entry 7019425

Structure parameters

• Chemical name: bis-[3,5,7-tri(1,2,4-triazol-4-yl)-1-azaadamantane]-dihydroxy-tetraaqua- tricopper(II) Perchlorate
• Formula: C30 H46 Cl4 Cu3 N20 O22
• Calculated formula: C30 H46 Cl4 Cu3 N20 O22
• 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: 12.1931 ± 0.0007 Å
• b: 17.2484 ± 0.0012 Å
• c: 22.1135 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4650.7 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No