Information card for entry 7110798

Structure parameters

• Formula: C121.14 H122.71 Cl6 Mn9 N57.57 O47
• Calculated formula: C121.06 H75.59 Cl6.388 Mn9 N57.53 O50.052
• Title of publication: A novel magnetically coupled nonamanganese(ii) 3 ×3 portcullis-like grid involving just oxygen bridges, generated by strict self assembly of the metal cation and a single heptadentate ligand
• Authors of publication: Zhao, Liang; Matthews, Craig J.; Thompson, Laurence K.; Heath, Sarah L.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 265
• a: 26.0641 ± 0.0016 Å
• b: 26.091 ± 0.0016 Å
• c: 53.291 ± 0.003 Å
• α: 90 ± 0.001°
• β: 102.473 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 35385 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1968
• Residual factor for significantly intense reflections: 0.1419
• Weighted residual factors for significantly intense reflections: 0.3936
• Weighted residual factors for all reflections included in the refinement: 0.4232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.424
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No