Information card for entry 7223781

Structure parameters

• Formula: C36 H101 Br Mn6 O35 P8
• Calculated formula: C36 H84 Br Mn6 O35 P8
• Title of publication: Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures
• Authors of publication: Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 45
• Pages of publication: 8736
• a: 14.2649 ± 0.0004 Å
• b: 14.2649 ± 0.0004 Å
• c: 21.6192 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4399.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No