Information card for entry 4330314

Structure parameters

• Common name: 1.L3
• Formula: C46 H48 Mg N10 O8
• Calculated formula: C46 H48 Mg N10 O8
• SMILES: c12=C(c3c(c(c4C(=c5c(c(c6[n]5[Mg]5([n]2c(c(c1CC)CC)C(=c1c(c(c(=C6N(=O)=O)n51)CC)CC)N(=O)=O)n34)CC)CC)N(=O)=O)CC)CC)N(=O)=O.n1ccc(c2ccncc2)cc1
• Title of publication: Building-up Remarkably Stable Magnesium Porphyrin Polymers Self-Assembled via Bidentate Axial Ligands: Synthesis, Structure, Surface Morphology, and Effect of Bridging Ligands
• Authors of publication: Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9666 - 9676
• a: 19.449 ± 0.005 Å
• b: 19.449 ± 0.005 Å
• c: 23.283 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 8807 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No