Information card for entry 2017326

Structure parameters

• Chemical name: diaquatetranitrato[5-(pyridinium-4-yl)-10,15,20-tri-4- pyridylporphyrin]lanthanum(III) 1,2-dichlorobenzene trisolvate
• Formula: C58 H43 Cl6 La N12 O14
• Calculated formula: C52 H39 Cl4 La N12 O14
• Title of publication: Hydrogen-bonded three-dimensional network of a lanthanum(III) exocyclic complex with 5,10,15,20-tetra-4-pyridylporphyrin
• Authors of publication: Lipstman, Sophia; Goldberg, Israel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m371 - m373
• a: 17.1527 ± 0.0003 Å
• b: 28.5415 ± 0.0006 Å
• c: 13.5331 ± 0.0002 Å
• α: 90°
• β: 112.984 ± 0.001°
• γ: 90°
• Cell volume: 6099.36 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1218
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes