Information card for entry 2244055

Structure parameters

• Common name: [Chlorin(2-)]zinc(II)–ethylenediamine–methanol (1/1/0.136)
• Chemical name: [<i>cis</i>-7,8-Dihydroxy-5,10,15,20-tetraphenylchlorinato(2-)]zinc(II)–ethylenediamine–methanol (1/1/0.136)
• Formula: C46.14 H38.54 N6 O2.14 Zn
• Calculated formula: C46.136 H38.544 N6 O2.136 Zn
• Title of publication: Crystal structure of <i>cis</i>-7,8-dihydroxy-5,10,15,20-tetraphenylchlorin and its zinc(II)–ethylenediamine complex
• Authors of publication: Chaudhri, Nivedita; Brückner, Christian; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• a: 10.1249 ± 0.0003 Å
• b: 13.54 ± 0.0004 Å
• c: 27.0447 ± 0.0008 Å
• α: 90°
• β: 95.1464 ± 0.0011°
• γ: 90°
• Cell volume: 3692.64 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes