Information card for entry 7017634

Structure parameters

• Formula: C100 H172 N12 O16
• Calculated formula: C99.99 H171.96 N12 O15.99
• Title of publication: Trinuclear Cu(ii) complexes of a chiral N(6)O(3) amine.
• Authors of publication: Kobyłka, Michał J; Janczak, Jan; Lis, Tadeusz; Kowalik-Jankowska, Teresa; Kłak, Julia; Pietruszka, Marta; Lisowski, Jerzy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1503 - 1511
• a: 15.439 ± 0.003 Å
• b: 15.439 ± 0.003 Å
• c: 37.996 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7843 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No