Information card for entry 7224226

Structure parameters

• Chemical name: 3
• Formula: C30 H45 Mn N6 Na O21
• Calculated formula: C30 H35 Mn N6 Na O20.5
• Title of publication: Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker
• Authors of publication: Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4196
• a: 11.73 ± 0.003 Å
• b: 19.81 ± 0.005 Å
• c: 17.13 ± 0.004 Å
• α: 90°
• β: 105.77 ± 0.03°
• γ: 90°
• Cell volume: 3830.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1105
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2944
• Weighted residual factors for all reflections included in the refinement: 0.3013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No