Information card for entry 7224227

Structure parameters

• Chemical name: 4
• Formula: C30 H38 N6 Ni O11
• Calculated formula: C30 H36 N6 Ni O11
• SMILES: C1[N]2([Ni]3456[N](CC2)(CC[N]4(CC[N]5(C1)CC(=O)O6)CC(=O)Nc1ccc(cc1)C(=O)O)CC(=O)O3)CC(=O)Nc1ccc(cc1)C(=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: 18.78 ± 0.004 Å
• b: 18.11 ± 0.004 Å
• c: 9.2 ± 0.002 Å
• α: 90°
• β: 106.22 ± 0.05°
• γ: 90°
• Cell volume: 3004.4 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1095
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2394
• Weighted residual factors for all reflections included in the refinement: 0.2671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No