Information card for entry 7030344

Structure parameters

• Chemical name: Poly[μ~3~-[1,3-bis(pyridazin-4-yl)adamantane-κ^4^N1:N2:N3)]-μ~4~- (1,3,5-benzenetricarboxylato)-μ~2~-hydroxido-aquadicopper(II)]
• Formula: C27 H26 Cu2 N4 O8
• Calculated formula: C27 H26 Cu2 N4 O8
• Title of publication: Mixed-ligand hydroxocopper(ii)/pyridazine clusters embedded into 3D framework lattices.
• Authors of publication: Degtyarenko, Anna S.; Handke, Marcel; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Rusanov, Eduard B.; Thompson, Laurence K.; Krautscheid, Harald; Domasevitch, Konstantin V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 22
• Pages of publication: 8530 - 8542
• a: 24.8536 ± 0.0018 Å
• b: 10.8716 ± 0.0007 Å
• c: 18.6837 ± 0.0014 Å
• α: 90°
• β: 101.581 ± 0.008°
• γ: 90°
• Cell volume: 4945.5 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No