Information card for entry 7210962

Structure parameters

• Formula: C44 H50 Cu2 Mn2 N6 O21
• Calculated formula: C44 H44 Cu2 Mn2 N6 O21
• Title of publication: Self-assembly of a chiral three-dimensional manganese(ii)‒copper(ii) coordination polymer with a double helical architecture
• Authors of publication: Grancha, Thais; Tourbillon, Clarisse; Ferrando-Soria, Jesús; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9312
• a: 20.467 ± 0.003 Å
• b: 20.467 ± 0.003 Å
• c: 34.344 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14387 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7379 Å
• Diffraction radiation type: monocromaticsynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No