Information card for entry 7013052

Structure parameters

• Common name: Cu(ii)-TNPDO
• Formula: C47 H79 Cl Cu2 F N10 O8.5
• Calculated formula: C47 H77 Cl Cu2 F N10 O8.5
• Title of publication: Preparation and structural characterization of a novel dicopper(ii) complex with a terminal hydroxide: a structural model of an active site in phosphohydrolasesElectronic supplementary information (ESI) available: the effective magnetic moments and the molar magnetic susceptibilities of 1, the positive ion electrospray ionization mass spectrum of [CuII2(TNPDO)(OH)(F)]+ and the structure of HTNPDO. See http://www.rsc.org/suppdata/dt/b3/b303787h/
• Authors of publication: Arii, Hidekazu; Funahashi, Yasuhiro; Jitsukawa, Koichiro; Masuda, Hideki
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2115
• a: 43.533 ± 0.009 Å
• b: 11.057 ± 0.001 Å
• c: 29.9 ± 0.01 Å
• α: 90°
• β: 127.08 ± 0.01°
• γ: 90°
• Cell volume: 11482 ± 5 ų
• Cell temperature: 288.2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.489
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No