Information card for entry 4330316

Structure parameters

• Common name: 1.L5
• Formula: C90 H94 Mg2 N22 O16
• Calculated formula: C90 H94 Mg2 N22 O16
• SMILES: c12=C(c3n4c(C(=c5[n]6c(C(=c7c(c(c8=C(c(c(c1CC)CC)[n]2[Mg]46n78)N(=O)=O)CC)CC)N(=O)=O)c(c5CC)CC)N(=O)=O)c(c3CC)CC)N(=O)=O.n1ccn(c1)c1ccc(cc1)/N=N/c1ccc(cc1)n1ccnc1.c12=C(N(=O)=O)c3n4c(C(=c5[n]6c(C(=c7c(c(c8=C(c(c(c1CC)CC)[n]2[Mg]46n78)N(=O)=O)CC)CC)N(=O)=O)c(c5CC)CC)N(=O)=O)c(c3CC)CC
• 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: 27.248 ± 0.004 Å
• b: 15.771 ± 0.002 Å
• c: 23.201 ± 0.005 Å
• α: 90°
• β: 115.757 ± 0.011°
• γ: 90°
• Cell volume: 8980 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1352
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No