Information card for entry 7710970

Structure parameters

• Formula: C88 H114 Cl3 N10 O Zn2
• Calculated formula: C87 H113 N10 O Zn2
• Title of publication: Induction and Rationalization of Supramolecular Chirality in Highly-Flexible Zn(II)porphyrin Dimer: Structural, Spectroscopic and Theoretical Investigations
• Authors of publication: Chandel, Dolly; Pal, Chandrani; Saha, Bapan; Ikbal, Sk Asif; Rath, Sankar Prasad
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.3576 ± 0.0014 Å
• b: 15.2387 ± 0.0015 Å
• c: 20.936 ± 0.002 Å
• α: 82.666 ± 0.002°
• β: 75.427 ± 0.002°
• γ: 65.717 ± 0.002°
• Cell volume: 4039.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1624
• Residual factor for significantly intense reflections: 0.1182
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No