Information card for entry 7040868

Structure parameters

• Formula: C126 H232 Cl5 Mn19 N18 O65 P18
• Calculated formula: C126 H192 Cl5 Mn19 N18 O65 P18
• Title of publication: Anion-directed supramolecular chemistry modulating the magnetic properties of nanoscopic Mn coordination clusters: from polynuclear high-spin complexes to SMMs.
• Authors of publication: Zhang, Lei; Chimamkpam, Theresa; Onet, Camelia I.; Zhu, Nianyong; Clérac, Rodolphe; Schmitt, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17705 - 17713
• a: 25.261 ± 0.005 Å
• b: 29.077 ± 0.006 Å
• c: 30.46 ± 0.006 Å
• α: 90°
• β: 111.77 ± 0.03°
• γ: 90°
• Cell volume: 20778 ± 8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.144
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No