Information card for entry 7054013

Structure parameters

• Formula: C86 H92 Cl12 N20 O16 Zn2
• Calculated formula: C82 H88 N20 O16 Zn2
• Title of publication: Self-assembly of cobalt(ii) and zinc(ii) tetranitrooctaethylporphyrin via bidentate axial ligands: synthesis, structure, surface morphology and effect of axial coordination
• Authors of publication: Dey, Soumyajit; Ikbal, Sk Asif; Rath, Sankar Prasad
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 4
• Pages of publication: 1458
• a: 11.3631 ± 0.0011 Å
• b: 33.868 ± 0.003 Å
• c: 26.769 ± 0.003 Å
• α: 90°
• β: 101.816 ± 0.002°
• γ: 90°
• Cell volume: 10083.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No