Information card for entry 7228212

Structure parameters

• Formula: C52 H36 Mn N6 O16
• Calculated formula: C52 H36 Mn N6 O16
• Title of publication: A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers
• Authors of publication: Boer, Stephanie A.; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 2402
• a: 9.166 ± 0.0018 Å
• b: 21.819 ± 0.004 Å
• c: 11.505 ± 0.002 Å
• α: 90°
• β: 96.39 ± 0.03°
• γ: 90°
• Cell volume: 2286.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No