Information card for entry 1573619

Structure parameters

• Formula: C61 H38 Cl3 N8 O6 Zn
• Calculated formula: C61 H38 Cl3 N8 O6 Zn
• Title of publication: <i>Meso</i>-β, β-β' trifused porphyrins: synthesis, spectral, electrochemical and DFT studies and their femtosecond third-order nonlinear optical properties.
• Authors of publication: Bulbul, Amir Sohel; Mogilipuri, Jhansi; Soma, Venugopal Rao; Sankar, Muniappan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 3679 - 3694
• a: 9.431 ± 0.003 Å
• b: 16.704 ± 0.006 Å
• c: 19.162 ± 0.007 Å
• α: 64.511 ± 0.015°
• β: 81.957 ± 0.016°
• γ: 85.757 ± 0.016°
• Cell volume: 2697.8 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No