Information card for entry 4501279

Structure parameters

• Formula: C56 H52 N4 O12 Zn
• Calculated formula: C56 H52 N4 O12 Zn
• SMILES: c12=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=c(cc1)n2[Zn]([n]78)(n56)[n]34)c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(c1)OC)c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1
• Title of publication: Self-Assembly of Magnesium and Zinc Trimethoxyphenylporphyrin Polymer as Nanospheres and Nanorods
• Authors of publication: Bhuyan, Jagannath; Sarkar, Sabyasachi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5410
• a: 15.417 ± 0.005 Å
• b: 25.356 ± 0.005 Å
• c: 14.384 ± 0.005 Å
• α: 90 ± 0.005°
• β: 108.842 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5322 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No