Information card for entry 4330312

Structure parameters

• Common name: 1.L1
• Formula: C48 H52 Mg N14 O8
• Calculated formula: C48 H52 Mg N14 O8
• SMILES: c12=C(N(=O)=O)c3c(c(c4=C(c5c(c(c6n5[Mg]5(n2c(=C(c2c(c(c(=C6N(=O)=O)[n]52)CC)CC)N(=O)=O)c(c1CC)CC)[n]34)CC)CC)N(=O)=O)CC)CC.n1ccncc1.c1cnccn1.c1cnccn1
• 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: 25.448 ± 0.004 Å
• b: 13.497 ± 0.002 Å
• c: 14.724 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5057.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No