Information card for entry 7224225

Structure parameters

• Chemical name: 1
• Formula: C30 H52 N6 O17
• Calculated formula: C30 H38 N6 O17
• SMILES: C1C[NH+](CCN(CC[NH+](CCN1CC(=O)Nc1ccc(cc1)C(=O)O)CC(=O)[O-])CC(=O)Nc1ccc(cc1)C(=O)O)CC(=O)[O-].O.O.O.O.O.O.O
• 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: 13.691 ± 0.004 Å
• b: 22.544 ± 0.006 Å
• c: 11.572 ± 0.003 Å
• α: 90°
• β: 96.98 ± 0.05°
• γ: 90°
• Cell volume: 3545.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1222
• Residual factor for significantly intense reflections: 0.1019
• Weighted residual factors for significantly intense reflections: 0.2549
• Weighted residual factors for all reflections included in the refinement: 0.2711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No