Information card for entry 7710972

Structure parameters

• Formula: C87 H111 Cl2 N9 O2 Zn2
• Calculated formula: C86 H109 N9 O2 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: 13.539 ± 0.005 Å
• b: 16.712 ± 0.005 Å
• c: 20.84 ± 0.005 Å
• α: 97.005 ± 0.005°
• β: 107.972 ± 0.005°
• γ: 113.04 ± 0.005°
• Cell volume: 3966 ± 2 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: 0.2168
• Residual factor for significantly intense reflections: 0.1194
• Weighted residual factors for significantly intense reflections: 0.2878
• Weighted residual factors for all reflections included in the refinement: 0.3348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No