Information card for entry 4341496

Structure parameters

• Chemical name: Poly[bis-[1,3-di(1,2,4-triazol-4-yl)adamantane]-dicopper(I) dimolybdate(VI)]
• Formula: C28 H38 Cu2 Mo2 N12 O8
• Calculated formula: C28 H38 Cu2 Mo2 N12 O8
• 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: 9.356 ± 0.0007 Å
• b: 11.5131 ± 0.0007 Å
• c: 31.1479 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3355.1 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No