Information card for entry 1569119

Structure parameters

• Formula: C120 H100 Cl4 N12 O2 Zn2.4
• Calculated formula: C120 H100 Cl4 N12 O2 Zn2.387
• Title of publication: Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.
• Authors of publication: Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 6032 - 6038
• a: 11.212 ± 0.0009 Å
• b: 13.3082 ± 0.0011 Å
• c: 19.7177 ± 0.0015 Å
• α: 73.666 ± 0.002°
• β: 84.633 ± 0.002°
• γ: 68.645 ± 0.002°
• Cell volume: 2629.4 ± 0.4 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: 0.1071
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No