Information card for entry 7007421

Structure parameters

• Common name: Bis(mu-3-hydroxotricopper(ii)) heptakis(4,4'-bi(1,2,4- triazole)) Decabromide Hexahydrate
• Chemical name: Bis[mu-3-hydroxotricopper(II)] heptakis[4,4'-bi(1,2,4-triazole)] Decabromide Hexahydrate
• Formula: C28 H42 Br10 Cu6 N42 O8
• Calculated formula: C28 H26 Br9 Cu6 N42 O2
• Title of publication: Metal-organic frameworks incorporating Cu3(mu3-OH) clusters.
• Authors of publication: Lysenko, Andrey B.; Govor, Evgen V.; Krautscheid, Harald; Domasevitch, Konstantin V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 31
• Pages of publication: 3772 - 3776
• a: 11.9996 ± 0.0011 Å
• b: 21.0665 ± 0.0017 Å
• c: 15.6477 ± 0.0017 Å
• α: 90°
• β: 109.555 ± 0.011°
• γ: 90°
• Cell volume: 3727.4 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No