Information card for entry 4341494

Structure parameters

• Chemical name: Poly[tetrakis-[1,3-di(1,2,4-triazol-4-yl)adamantane]-dicopper(II) beta-octamolybdate(VI)]
• Formula: C56 H72 Cu2 Mo8 N24 O26
• Calculated formula: C56 H72 Cu2 Mo8 N24 O26
• Title of publication: Triazolyl-based copper-molybdate hybrids: from composition space diagram to magnetism and catalytic performance.
• Authors of publication: Senchyk, Ganna A.; Lysenko, Andrey B.; Babaryk, Artem A.; Rusanov, Eduard B.; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Domasevitch, Konstantin V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10112 - 10121
• a: 12.1133 ± 0.0004 Å
• b: 12.7626 ± 0.0005 Å
• c: 12.9724 ± 0.0005 Å
• α: 83.839 ± 0.003°
• β: 67.379 ± 0.003°
• γ: 81.747 ± 0.003°
• Cell volume: 1829.06 ± 0.12 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No