Information card for entry 7053710

Structure parameters

• Common name: bis(ethylenediamine)diaquacopper(ii) catena- bis(ethylenediamine) (aqua)copper(ii)(mu- aqua)bis((triaqua)tetrakis(malonomonohydroxate) pentacopper(ii)) hydrate
• Chemical name: bis(ethylenediamine)diaquacopper(II) catena-bis(ethylenediamine) (aqua)copper(II)(mu-aqua)bis((triaqua)tetrakis(malonomonohydroxate) pentacopper(II)) hydrate
• Formula: C16 H54 Cu6 N8 O31
• Calculated formula: C16 H54 Cu6 N8 O31
• Title of publication: A new Cu(ii) [12]metallocrown-4 pentanuclear complex based on a Cu(ii)-malonomonohydroxamic acid unit
• Authors of publication: Gumienna-Kontecka, Elzbieta; Golenya, Irina A.; Dudarenko, Nikolay M.; Dobosz, Agnieszka; Haukka, Matti; Fritsky, Igor O.; Swiatek-Kozlowska, Jolanta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 1798
• a: 11.2883 ± 0.0004 Å
• b: 13.0045 ± 0.0004 Å
• c: 14.3048 ± 0.0006 Å
• α: 84.252 ± 0.002°
• β: 82.162 ± 0.002°
• γ: 88.661 ± 0.002°
• Cell volume: 2069.75 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No