Information card for entry 7030345

Structure parameters

• Chemical name: Poly[bis-[μ~3~-[1,3-bis(pyridazin-4-yl)adamantane-κ^4^N1:N2:N3)]]- bis[μ~3~-(1,3,5-adamantanetricarboxylato)]-di(μ~3~-hydroxido)- diaquatetracopper(II)] monohydrate
• Formula: C62 H78 Cu4 N8 O19
• Calculated formula: C62 H76 Cu4 N8 O19
• 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: 11.1208 ± 0.0009 Å
• b: 11.5078 ± 0.001 Å
• c: 13.8841 ± 0.0013 Å
• α: 83.981 ± 0.006°
• β: 67.507 ± 0.006°
• γ: 62.065 ± 0.005°
• Cell volume: 1444.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No